# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-25T13:41:08+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b c a' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000047","18.25099","0.004","8.814","0.001","5.181","0.001","90","","90","","90","","833.4","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimagnesium catena-disilicate","Enstatite","- Mg2 O6 Si2 -","- Mg2 O6 Si2 -","- Mg16 O48 Si16 -","8","1","","Yang, H X; Ghose, S","High temperature single crystal X-ray diffraction studies of the ortho- proto phase transition in enstatite, Mg2 Si2 O6 at 1360 K","Physics and Chemistry of Minerals (Germany)","1995","22","","300","310","","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000079","6.755","0.0003","9.1026","0.0004","17.0808","0.0006","90","","90","","90","","1050.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium dioxovanadium hydrogenphosphate","","- H K O6 P V -","- H K O6 P V -","- H8 K8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000080","6.8064","0.0006","9.2567","0.0007","17.732","0.002","90","","90","","90","","1117.2","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium dioxovanadium hydrogenphosphate","","- H5 N O6 P V -","- H5 N O6 P V -","- H40 N8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000081","6.8182","0.0008","9.291","0.001","17.631","0.002","90","","90","","90","","1116.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Rubidium dioxovanadium hydrogenphosphate","","- H O6 P Rb V -","- H O6 P Rb V -","- H8 O48 P8 Rb8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000099","7.416","0.004","13.082","0.007","9.483","0.005","90","","90","","90","","920","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cobalt phosphinate chloride hydrate","","- Cl Co H4 O3 P -","- Cl Co H4 O3 P -","- Cl8 Co8 H32 O24 P8 -","8","1","","Marcos, M D; Ibanez, R; Amoros, P; Le Bail, A","Layer structure of (CoCl(H~2~PO~2~)) . H~2~O","Acta Crystallographica C (39,1983-)","1991","47","","1152","1155","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000133","5.0036","0.0003","10.6073","0.0007","11.7223","0.0008","90","","90","","90","","622.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Palladium nitrate(V) dihydrate","","- H4 N2 O8 Pd -","- H4 N2 O8 Pd -","- H16 N8 O32 Pd4 -","4","0.5","","Laligant, Y; Ferey, G; Le Bail, A","Crystal structure of Pd (N O3)2 (H2 O)2","Materials Research Bulletin","1991","26","","269","275","10.1016/0025-5408(91)90021-D","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000282","7.647","0.003","15.414","0.007","18.994","0.008","90","","90","","90","","2238.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diammonium catena-tetramolybdate","","- H8 Mo4 N2 O13 -","- H16 Mo4 N2 O13 -","- H128 Mo32 N16 O104 -","8","1","","Benchrifa, R; Leblanc, M; De Pape, R","Synthesis and crystal structure of two polymorphs of (NH~4~)~2~Mo~4~O~13~, orthorhombic (o) and triclinic (t)","European Journal of Solid State Inorganic Chemistry","1989","26","","593","601","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000362","6.596","0.004","10.774","0.004","14.09","0.01","90","","90","","90","","1001.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Disodium europium carbonate trifluoride","","- C Eu F3 Na2 O3 -","- C Eu F3 Na2 O3 -","- C8 Eu8 F24 Na16 O24 -","8","1","","Mercier, N; Leblanc, M","A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~","Acta Crystallographica C (39,1983-)","1994","50","","1864","1865","","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1000505","9.926","0.0001","8.6189","0.0001","9.7622","0.0001","90","","90","","90","","835.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gallium phosphate(V) dihydrate","","- Ga H4 O6 P -","- Ga H8 O6 P -","- Ga8 H64 O48 P8 -","8","1","","Loiseau, T; Paulet, C; Ferey, G","Crystal structure determination of the hydrated gallium phosphate Ga P O4 . 2(H2 O), analog of variscite","C. R. Acad. Sci. Paris, T. 1, Serie II","1998","1","","667","674","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1001019","9.052","0.004","6.676","0.005","19.797","0.006","90","","90","","90","","1196.4","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Calcium chloride nitrate dihydrate","","- Ca Cl H4 N O5 -","- Ca Cl H4 N O5 -","- Ca8 Cl8 H32 N8 O40 -","8","1","","Leclaire, A; Borel, M M","Identification et structure du chlorure nitrate de calcium dihydrate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","902","904","10.1107/S056774087800429X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001135","12.89","0.002","12.725","0.002","12.654","0.003","90","","90","","90","","2075.6","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cadmium phosphide iodide (4/2/3)","","- Cd4 I3 P2 -","- Cd4 I3 P2 -","- Cd32 I24 P16 -","8","1","","Rebbah, A; Yazbeck, J; Deschanvres, A","Structure de Cd~4~ P~2~ I~3~","Acta Crystallographica B (24,1968-38,1982)","1980","36","","1747","1749","10.1107/S0567740880007157","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001644","9.676","0.002","14.366","0.002","28.39099","0.005","90","","90","","90","","3946.5","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tripotassium tetramolybdo(V)pentaphosphate(V)","","- K3 Mo4 O24 P5 -","- K3 Mo4 O24 P5 -","- K24 Mo32 O192 P40 -","8","1","","Hoareau, T; Leclaire, A; Borel, M M; Grandin, A; Raveau, B","A Mo(V) monophosphate with a tunnel structure: K3 (Mo O)4 (P O4)5","Journal of Solid State Chemistry","1995","114","","61","65","10.1006/jssc.1995.1009","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001813","22.181","0.002","11.564","0.001","9.548","0.001","90","","90","","90","","2449.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dipotassium tecto-divanado(IV)tetraphosphate(V)","","- K2 O15 P4 V2 -","- K2 O15 P4 V2 -","- K16 O120 P32 V16 -","8","1","","Borel, M M; Leclaire, A; Chardon, J; Provost, J; Rebbah, H; Raveau, B","A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13","Journal of Solid State Chemistry","1997","132","","41","46","10.1006/jssc.1997.7404","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004016","8.131","0.003","9.258","0.005","18.084","0.007","90","","90","","90","","1361.31","","","","","","","","","","","","","4","P b c a","","61","","Strontium Hydrogenphosphate(V) - Gamma","","- H O4 P Sr -","- H O4 P Sr -","- H16 O64 P16 Sr16 -","16","2","","Ben Taher, L.; Smiri, L.; Laligant, Y.; Maisonneuve, V.","Investigation of th alkaline earth phosphates: synthesis and crystal structure of a new strontium hydrogen phosphate form","Journal of Solid State Chemistry","2000","152","2","428","434","10.1006/jssc.2000.8700","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186631","2020-10-21","18:00:00",""
"1004151","7.557","0.003","11.925","0.006","14.734","0.019","90","","90","","90","","1327.8","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Thallium pentaborate","","- B5 O8 Tl -","- B5 O8 Tl -","- B40 O64 Tl8 -","8","1","","Touboul, M; Nowogrocki, G","Dehydration process of Tl B5 O6 (O H)4 . 2(H2 O) and crystal structure of Tl B5 O8","Journal of Solid State Chemistry","1998","136","","216","220","10.1006/jssc.1997.7682","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005022","10.708","0.002","11.233","0.002","16.52699","0.003","90","","90","","90","","1987.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tricerium hexachloride nitride","","- Ce3 Cl6 N -","- Ce3 Cl6 N -","- Ce24 Cl48 N8 -","8","1","","Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J","Corrigendum to ""New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl""","Journal of Alloys Compd.","1996","235","","133","134","10.1016/0925-8388(95)02134-5","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005025","10.708","0.002","11.233","0.002","16.52699","0.003","90","","90","","90","","1987.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tricerium hexacachloride nitride","","- Ce3 Cl6 N -","- Ce3 Cl6 N -","- Ce24 Cl48 N8 -","8","1","","Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J","New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl","Journal of Alloys Compd.","1994","206","","95","101","10.1016/0925-8388(94)90015-9","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007005","12.199","0.005","13.047","0.005","10.537","0.005","90","","90","","90","","1677.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dilithium ammonium catena-phosphate","","- H4 Li2 N O9 P3 -","- H4 Li2 N O9 P3 -","- H32 Li16 N8 O72 P24 -","8","1","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline du polyphosphate de lithium-ammonium, Li~2~ N H~4~ (P O~3~)~3~","Acta Crystallographica B (24,1968-38,1982)","1976","32","","2440","2443","10.1107/S0567740876007930","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007031","9.607","0.004","13.7","0.01","7.037","0.003","90","","90","","90","","926.2","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cadmium catena-phosphate","","- Cd O6 P2 -","- Cd O6 P2 -","- Cd8 O48 P16 -","8","1","","Bagieu-Beucher, M; Guitel, J C; Tordjman, I; Durif, A","Affinement de la structure cristalline du polyphosphate de cadmium. Cd (P O~3~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1974","97","","481","484","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007100","18.82","0.004","10.89","0.03","13.925","0.003","90","","90","","90","","2853.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Silver divanadate","","- Ag4 O7 V2 -","- Ag4 O7 V2 -","- Ag64 O112 V32 -","16","2","","Masse, R; Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Chemical Preparation and Crystal Structure of Silver Pyrovanadate, Ag~4~ V~2~ O~7~","Acta Crystallographica C (39,1983-)","1983","39","","1608","1610","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008059","7.911","0.002","7.861","0.001","18.092","0.003","90","","90","","90","","1125.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium antimony trifluoride nitrate","","- F3 K N O3 Sb -","- F3 K N O3 Sb -","- F24 K8 N8 O24 Sb8 -","8","1","","Bourgault, M; Ducourant, M B; Mascherpa Corral, D; Fourcade, R","Structure cristalline et moleculaire de K Sb F~3~ N O~3~","Journal of Fluorine Chemistry","1981","17","","215","224","10.1016/S0022-1139(00)81284-1","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008120","18.18","0.01","11.505","0.007","5.66","0.003","90","","90","","90","","1183.9","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sodium antimony trifluoride nitrate hydrate","","- F3 H2 N Na O4 Sb -","- F3 H2 N Na O4 Sb -","- F24 H16 N8 Na8 O32 Sb8 -","8","1","","Bourgault, M; Ducourant, B; Mascherpa Corral, D; Fourcade, R","Structure cristalline de Na Sb F~3~ (N O~3~) (H~2~ O). Etude de la liaison hydrogene O-H-X (X=Cl, Br, (N O~3~) )","Journal of Fluorine Chemistry","1981","17","","305","315","10.1016/S0022-1139(00)81777-7","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","186636","2020-10-21","18:00:00",""
"1008177","15.576","0.003","6.923","0.003","11.416","0.003","90","","90","","90","","1231","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Copper(I) 1,2dithiooxalicacidamide chloride","","- C2 H4 Cl Cu N2 S2 -","- C2 H4 Cl Cu N2 S2 -","- C16 H32 Cl8 Cu8 N16 S16 -","8","1","","Mosset, A; Abboudi, M; Galy, J","Etude structurale, par diffraction des rayons X, du rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)","Zeitschrift fuer Kristallographie (149,1979-)","1983","164","","181","188","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1008316","7.33","","7.05","","14.35","","90","","90","","90","","741.6","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cerium sulfide iodide - $-alpha","","- Ce I S -","- Ce I S -","- Ce8 I8 S8 -","8","1","","Beck, H P; Strobel, C","Zur Hochdruckpolymorphie der Seltenerdsulfidiodide Ln S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","1986","535","","229","239","10.1002/zaac.19865350427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010810","7.82","0.02","6.46","0.03","16.04","0.08","90","","90","","90","","810.3","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Cadmium azide","","- Cd N6 -","","","8","1","","Bassiere, M","Sur la structure de l'azoture de cadmium.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","204","","1573","1574","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011018","18.15999","","8.84","","5.19","","90","","90","","90","","833.2","","","","","","","","","","","","from Chichi-jima, Bonin Islands","4","P b c a","-P 2ac 2ab","61","","Magnesium iron silicate *","Enstatite ferroan","- Fe0.155 Mg0.845 O3 Si -","- Fe0.155 Mg0.845 O3 Si -","- Fe2.48 Mg13.52 O48 Si16 -","16","2","","Takané, Katsutashi","Crystal Structure of Bronzite from Chichi-jiama in the Bonin Islands","Proceedings of the Imperial Academy (Tokyo)","1932","8","7","308","311","10.2183/pjab1912.8.308","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011238","18.2","","8.86","","5.2","","90","","90","","90","","838.5","","","","","","","","","","","","from Mt. Dore, Auvergne, France","4","P b c a","-P 2ac 2ab","61","","Magnesium iron(II) silicate *","Hypersthene","- Fe0.3 Mg0.7 O3 Si -","- Fe0.3 Mg0.7 O3 Si -","- Fe4.8 Mg11.2 O48 Si16 -","16","2","","Warren, B E; Modell, D I","The Structure of Enstatite, Mg Si O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","75","","1","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011268","9.75","0.01","12.204","0.02","4.429","0.01","90","","90","","90","","527","","","","","","","","","","","","from Langesundfjord, Norway","4","P b c a","-P 2ac 2ab","61","","Diberyllium borate hydroxide","Hambergite","- B Be2 H O4 -","- B Be2 H O4 -","- B8 Be16 H8 O32 -","8","1","","Zachariasen, W H","The crystalline structure of Hambergite Be2 B O3 (O H)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","76","","289","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1100120","6.6226","0.0006","11.494","0.002","9.021","0.002","90","","90","","90","","686.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium Cobalt Dicarbonate Difluoride","","- C2 Ba2 Co F2 O6 -","- C2 Ba2 Co F2 O6 -","- C8 Ba8 Co4 F8 O24 -","4","0.5","","Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M.","Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~","Solid State Sciences","2002","4","4","503","506","10.1016/S1293-2558(02)01274-8","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100165","7.543","0.0008","13.1384","0.0012","17.2599","0.001","90","","90","","90","","1710.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaqua bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one-N3)zinc(II) tetrah","","- C10 H18 N8 O8 Zn -","- C10 H18 N8 O8 Zn -","- C40 H72 N32 O32 Zn4 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","743","747","10.1016/j.poly.2003.11.052","","","0.71073","MoKα","","0.1402","0.0872","","","0.2186","0.276","","","","","","1.025","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100204","12.736","0.004","11.488","0.003","13.02","0.003","90","","90","","90","","1904.97","","","","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aminotriethylphosphonium chloride","","- C6 H17 Cl N P -","- C6 H17 Cl N P -","- C48 H136 Cl8 N8 P8 -","8","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","4.19","","","4.19","","","","","","","","","","","has coordinates","177560","2020-10-21","18:00:00",""
"1100283","14.462","0.002","17.405","0.001","17.299","0.002","90","","90","","90","","4354.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Cl N4 O3 -","- C23 H29 Cl N4 O3 -","- C184 H232 Cl8 N32 O24 -","8","1","","Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F.","Structure of an indolochinolizine derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1665","1667","10.1107/S0108270186091023","","","","","","","","","","","","","","","","","","","","","has coordinates","176919","2020-10-21","18:00:00",""
"1100285","8.745","0.002","33.451","0.005","8.845","0.002","90","","90","","90","","2587.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O4 S -","- C12 H18 O4 S -","- C96 H144 O32 S8 -","8","1","","Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F.","Structure of a cycloheptenone derivative","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1662","1663","10.1107/S0108270186091047","","","","","","","","","","","","","","","","","","","","","has coordinates","176917","2020-10-21","18:00:00",""
"1100365","14.715","0.001","15.43","0.001","15.029","0.001","90","","90","","90","","3412.37","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H29 N3 O4 -","- C14 H29 N6 O4 -","- C112 H232 N48 O32 -","8","1","","Reetz, Manfred T.; Bingel, Carsten; Harms, Klaus","Structure of carbanions having carbocations as counterions","Journal of the Chemical Society, Chemical Communications","1993","","20","1558","1560","10.1039/c39930001558","","","","","","","","","","","","","","","","","","","","","has coordinates","177464","2020-10-21","18:00:00",""
"1100378","8.01","0.001","14.74","0.002","22.811","0.002","90","","90","","90","","2693.24","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 I O3 -","- C13 H15 I O3 -","- C104 H120 I8 O24 -","8","1","","Hoffmann, Reinhard W.; Stürmer, Rainer; Harms, Klaus","A phenyl-assisted asymmetric iodolactonisation reaction","Tetrahedron Letters","1994","35","34","6263","6266","10.1016/s0040-4039(00)73407-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176938","2020-10-21","18:00:00",""
"1100391","12.026","0.001","12.242","0.001","17.667","0.001","90","","90","","90","","2600.98","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cl2 N P Ti -","- C13 H19 Cl2 N P Ti -","- C104 H152 Cl16 N8 P8 Ti8 -","8","1","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100392","11.405","0.002","11.122","0.003","15.894","0.003","90","","90","","90","","2016.1","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl6 N2 P2 Ti2 -","- C12 H36 Cl12 N4 P4 Ti4 -","- C48 H144 Cl48 N16 P16 Ti16 -","4","0.5","","Rübenstahl, T.; Weller, F.; Harms, K.; Dehnicke, K.; Fenske, D.; Baum, G.","Phosphaniminato-Komplexe des Titans. Synthese und Kristallstrukturen von CpTiCl2(NPMe~3~), [TiCl~3~(NPMe~3~)]~2~, [Ti~2~Cl~5~(NPMe~2~Ph)~3~] und [Ti~3~Cl~6~(NPMe~3~)~5~][BPh~4~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","10","1741","1749","10.1002/zaac.19946201014","","","","","","","","","","","","","","","","","","","","","has coordinates","177941","2020-10-21","18:00:00",""
"1100399","12.265","","14.544","","32.444","","90","","90","","90","","5787.43","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Li2 N2 O4 S2 -","- C22 H40 Li2 N2 O4 S2 -","- C176 H320 Li16 N16 O32 S16 -","8","1","","Boche, Gernot; Hilf, Christof; Harms, Klaus; Marsch, Michael; Lohrenz, John C. W.","Crystal Structure of the Dimeric(4-tert-Butylthiazolato)(glyme)lithium: Carbene Character of a Formyl Anion Equivalent","Angewandte Chemie, International Edition in English","1995","34","4","487","489","10.1002/anie.199504871","","","","","","","","","","","","","","","","","","","","","has coordinates","177009","2020-10-21","18:00:00",""
"1100447","10.4707","0.001","17.0026","0.001","27.9321","0.0002","90","","90","","90","","4972.73","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl I P -","- C27 H23 Cl I P -","- C216 H184 Cl8 I8 P8 -","8","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt","Kristallstruktur von [PMePh~3~][Cl-1-C≡C-Ph] / Crystal Structure of [PMePh~3~][Cl-I-C≡C-Ph]","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","","52","6","772","772","10.1515/znb-1997-0618","","","","","","","","","","","","","","","","","","","","","has coordinates","177081","2020-10-21","18:00:00",""
"1100473","12.695","0.001","11.387","0.001","14.703","0.002","90","","90","","90","","2125.44","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B2 Cl4 N2 P2 -","- C24 H60 B4 Cl8 N4 P4 -","- C96 H240 B16 Cl32 N16 P16 -","4","0.5","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100474","13.093","0.002","16.198","0.004","24.107","0.004","90","","90","","90","","5112.62","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H30 B3 Cl7 N2 P2 -","- C12 H30 B3 Cl7 N2 P2 -","- C96 H240 B24 Cl56 N16 P16 -","8","1","","Möhlen, M.; Harms, K.; Dehnicke, K.; Magull, J.; Goesmann, H.; Fenske, D.","Phosphanimin- und Phosphaniminato-Komplexe von Bor. Synthese und Kristallstrukturen von [BF~3~(Me~3~SiNPEt~3~)], [BCl~2~(NPPh~3~)]~2~, [BCl~2~(NPEt~3~)]~2~, [B~2~Cl~3~(NPEt~3~)~2~]^+^BCl~4~^-^ und [B~2~Cl~2~(NPiPr~3~)~3~]^+^BCl~4~^-^","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","10","1692","1700","10.1002/zaac.19966221011","","","","","","","","","","","","","","","","","","","","","has coordinates","177945","2020-10-21","18:00:00",""
"1100486","14.206","0.001","14.839","0.001","16.22","0.001","90","","90","","90","","3419.22","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H42 Cl8 N2 P2 Ta2 -","- C42 H112 Cl16 N4 P4 Ta4 -","- C168 H448 Cl64 N16 P16 Ta16 -","4","0.5","","Philipp, G.; Harms, K.; Dehnicke, K.; Maichle-Mössmer, C.; Abram, U.","Phosphaniminato-Komplexe von Niob und Tantal. Die Kristallstrukturen von [NbCl~4~(NPiPr~3~)(CH~3~CN)], [NbCl~3~(NPiPr~3~)~2~], [TaCl~4~(NPiPr~3~)]~2~ und [TaCl~3~(NPiPr~3~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1996","622","11","1927","1934","10.1002/zaac.19966221119","","","","","","","","","","","","","","","","","","","","","has coordinates","177946","2020-10-21","18:00:00",""
"1100509","18.003","0.001","14.474","0.001","28.384","0.001","90","","90","","90","","7396.17","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H74 B2 P2 -","- C33 H78 B2 P2 -","- C264 H624 B16 P16 -","8","1","","Graf, Claus-Dieter; Malan, Christophe; Harms, Klaus; Knochel, Paul","New Homochiral Ligands Bearing Nonstereogenic Chirotopic Centers. Lithiated N,N'-Dialkylureas as Chiral Bases and Sterically Crowded Phosphines for Asymmetric Catalysis","Journal of Organic Chemistry","1999","64","15","5581","5588","10.1021/jo990412u","","","","","","","","","","","","","","","","","","","","","has coordinates","177997","2020-10-21","18:00:00",""
"1100542","21.06","0.004","15.668","0.003","24.458","0.004","90","","90","","90","","8070.36","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H48 Br2 Cl8 F12 I6 P2 -","- C76 H48 Br2 Cl8 F16 I8 P2 -","- C304 H192 Br8 Cl32 F64 I32 P8 -","4","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100544","12.105","0.005","14.29","0.006","24.703","0.012","90","","90","","90","","4273.14","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 F12 I8 N2 -","- C32 H24 F16 I10 N2 -","- C128 H96 F64 I40 N8 -","4","0.5","","Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Dehnicke, Kurt","Donor-Akzeptor-Komplexe von Halogenidionen mit 1.4-Diiodtetrafluorbenzol / Donor-Acceptor Complexes of Halide Ions with 1,4-Diiodotetrafluorobenzene","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1999","54","1","77","86","10.1515/znb-1999-0116","","","","","","","","","","","","","","","","","","","","","has coordinates","177130","2020-10-21","18:00:00",""
"1100587","19.8876","0.001","20.0341","0.001","23.7074","0.001","90","","90","","90","","9445.74","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H73 Br Mg O5 Zn -","- C47 H72 Br Mg O5 Zn -","- C376 H576 Br8 Mg8 O40 Zn8 -","8","1","","Krieger, Matthias; Geiseler, Gertraud; Harms, Klaus; Merle, Jan; Massa, Werner; Dehnicke, Kurt","Die Kristallstrukturen der Triarylzinkate [Mg~2~Br~3~(THF)~6~][ZnPh~3~] und [MgBr(THF)~5~][ZnMes~3~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1387","1388","10.1002/(sici)1521-3749(199809)624:9<1387::aid-zaac1387>3.0.co;2-m","","","","","","","","","","","","","","","","","","","","","has coordinates","177973","2020-10-21","18:00:00",""
"1100591","13.613","0.001","16.073","0.001","22.718","0.001","90","","90","","90","","4970.74","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H36 O S -","- C30 H36 O S -","- C240 H288 O8 S8 -","8","1","","Hoffmann, Reinhard W.; Koberstein, Ralf; Harms, Klaus","Chiral organometallic reagents. Part XXIII. On the stereochemistry of the carbolithiation reaction of vinyl sulfides","Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999)","1999","","2","183","192","10.1039/a808116f","","","","","","","","","","","","","","","","","","","","","has coordinates","177446","2020-10-21","18:00:00",""
"1100597","27.372","0.006","19.889","0.004","28.579","0.006","90","","90","","90","","15558.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 N3 P3 Y2 -","- C90 H60 N3 P3 Y2 -","- C720 H480 N24 P24 Y16 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100598","27.35","0.003","19.872","0.002","28.578","0.004","90","","90","","90","","15532.1","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 Dy2 N3 P3 -","- C90 H84 Dy2 N3 P3 -","- C720 H672 Dy16 N24 P24 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100599","27.333","0.007","19.811","0.008","28.511","0.008","90","","90","","90","","15438.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 Er2 N3 P3 -","- C90 H84 Er2 N3 P3 -","- C720 H672 Er16 N24 P24 -","8","1","","Anfang, S.; Harms, K.; Weller, F.; Borgmeier, O.; Lueken, H.; Schilder, H.; Dehnicke, K.","Phosphaniminato-Komplexe Seltener Erden. Synthese und Kristallstrukturen von [M~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~ mit M = Y, Dy und Er. Magnetische Eigenschaften von [Dy~2~(C~5~H~5~)~3~(NPPh~3~)~3~] · 3 C~7~H~8~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","1","159","166","10.1002/(sici)1521-3749(199801)624:1<159::aid-zaac159>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177949","2020-10-21","18:00:00",""
"1100635","27.276","0.0019","19.7754","0.001","28.4888","0.0017","90","","90","","90","","15366.7","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H84 N3 P3 Yb2 -","- C90 H84 N3 P3 Yb2 -","- C720 H672 N24 P24 Yb16 -","8","1","","Anfang, S.; Gröb, T.; Harms, K.; Seybert, G.; Massa, W.; Greiner, A.; Dehnicke, K.","Phosphaniminato-Komplexe von Seltenerdelementen. Die Kristallstrukturen von [Yb~2~Cp~3~(NPPh~3~)~3~], [YCp(NPPh~3~)(μ-OSiMe~2~NPPh~3~)]~2~ und [M(NPPh~3~)~2~(μ-OSiMe~2~NPPh~3~)]~2~ mit M = Y und Sm","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","11","1853","1859","10.1002/(sici)1521-3749(199911)625:11<1853::aid-zaac1853>3.0.co;2-4","","","","","","","","","","","","","","","","","","","","","has coordinates","177956","2020-10-21","18:00:00",""
"1100649","15.625","0.004","23.028","0.006","7.685","0.002","90","","90","","90","","2765","1","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 F3 N3 -","- C15 H14 F3 N3 -","- C120 H112 F24 N24 -","8","1","","Chizuru, Sasaki; Soh-ichi, Kitoh; Kazuya, Yamada; Ko-Ki, Kunimoto; Shiro, Maeda; Akio, Kuwae; Kazuhiko, Hanai","Crystal Structure of 2-Trifluoromethyl-4'-dimethylaminoazobenzene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x1","x2","10.2116/analscix.19.x1","","","0.7107","MoKα","","","0.0486","","","","0.0701","","","","","","0.979","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100664","5.882","0.0005","12.104","0.0005","30.58","0.003","90","","90","","90","","2177.2","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Mahendra, M.; Doreswamy, B. H.; Khanum, S. A.; Shashikanth, S.; Sudha, B. S.; Sridhar, M. A.; Prasad, J. S.","Synthesis and Crystal Structure of (2-Hydroxy-5-methyl phenyl)phenyl Methanone","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x29","x30","10.2116/analscix.19.x29","","x-ray","0.71073","MoKα","","0.0786","0.059","","","0.1965","0.2227","","","","","","1.057","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1100684","6.3805","0.0005","15.624","0.001","24.778","0.002","90","","90","","90","","2470","0.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Kitamura, Chitoshi; Fujimoto, Jun; Ouchi, Mikio; Yoneda, Akio","Crystal Structure of 1,4-Dimethoxyanthracene","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x69","x70","10.2116/analscix.19.x69","","","0.7107","MoKα","","","0.0711","","","","0.1573","","","","","","1.772","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100770","8.798","0.0013","10.1982","0.0015","17.945","0.003","90","","90","","90","","1610.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N Ni O5 P -","- C6 H8 N Ni O5 P -","- C48 H64 N8 Ni8 O40 P8 -","8","1","","Deng-Ke Cao; Yi-Zhi Li; You Song; Li-Min Zheng","Three-, Two-, and One-Dimensional Metal Phosphonates Based on [Hydroxy(4-pyridyl)methyl]phosphonate: M{(4-C5H4N)CH(OH)PO3}(H2O) (M = Ni, Cd) and Gd{(4-C5H4N)CH(OH)P(OH)O2}3.6H2O","Inorganic Chemistry","2005","44","","3599","3604","10.1021/ic0484248","","","0.71073","MoKα","","0.1099","0.0541","","","0.0834","0.0958","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100831","17.2772","0.0001","18.3213","0.0002","18.6586","0.0002","90","","90","","90","","5906.21","0.1","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Au N -","- C32 H46 Au N -","- C256 H368 Au8 N8 -","8","1","","Schuster, Oliver; Schmidbaur, Hubert","Preparative Routes to the First Tri- and Tetra(alkynyl)gold(III) Compounds: (L)Au(C⋮CR) <sub>3</sub> and [ER <sub>4</sub> ] <sup>+</sup> [Au(C⋮CR) <sub>4</sub> ] <sup>-</sup>","Organometallics","2005","24","10","2289","2296","10.1021/om050038q","","","0.71073","MoKα","","0.0426","0.04","","","0.1229","0.126","","","","","","1.081","","","","has coordinates","282633","2023-04-14","12:40:14",""
"1100850","22.027","0.003","12.4145","0.0014","23.813","0.003","90","","90","","90","","6511.5","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H43.84 B5 Cl3 Ru2 S -","- C24.5 H38 B5 Cl3 Ru2 S -","- C196 H304 B40 Cl24 Ru16 S8 -","8","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0372","0.0348","","","0.1026","0.1041","","","","","","1.163","","","","has coordinates","200397","2020-10-21","18:00:00",""
"1100961","17.9931","0.0005","15.2837","0.0004","20.2132","0.0006","90","","90","","90","","5558.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Fe P2 -","- C28 H46 Fe P2 -","- C224 H368 Fe8 P16 -","8","1","","Eric J. Hawrelak; Wesley H. Bernskoetter; Emil Lobkovsky; Gordon T. Yee; Eckhard Bill; Paul J. Chirik","Square Planar vs Tetrahedral Geometry in Four Coordinate Iron(II) Complexes","Inorganic Chemistry","2005","44","","3103","3111","10.1021/ic048202+","","","0.71073","MoKα","","0.0536","0.036","","","0.0799","0.0881","","","","","","1.054","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1101053","7.5479","0.0015","15.391","0.003","18.527","0.004","90","","90","","90","","2152.3","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","potassium tetramolybdate","","","- K2 Mo4 O13 -","- K2 Mo4 O13 -","- K16 Mo32 O104 -","8","1","","Kazuo Eda; Kin Chin; Noriyuki Sotani; M. Stanley Whittingham","","Journal of Solid State Chemistry","","","","","","","","","0.71073","MoKα","","0.0344","0.0297","","","0.0764","0.0797","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101073","10.2473","0.0005","16.1318","0.0008","16.2087","0.0012","90","","90","","90","","2679.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cu2 N16 O8 -","- C20 H20 Cu2 N16 O8 -","- C80 H80 Cu8 N64 O32 -","4","0.5","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez","","European Journal of Inorganic Chemistry","2002","","","811","818","","","","","","","","0.1138","","","0.1913","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101084","15.468","0.006","20.652","0.01","25.162","0.005","90","","90","","90","","8038","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Cl2 N12 O12 Pd2 -","- C34 H22 Cl2 N12 O12 Pd2 -","- C272 H176 Cl16 N96 O96 Pd16 -","8","1","","Mohammad Abul Haj; Miguel Quirós; Juan M. Salas","Solution and solid state coexistence of head‒head and head‒tail isomers in dimeric Pd(II) and Pt(II) complexes of the type [M2(a‒a)2(µ-L-N3N4)2]2+ with a bridging triazolopyrimidine ligand and chelating bidentate diamines","J. Chem. Soc., Dalton Trans.","2002","","24","4740","4745","10.1039/b207263g","","","0.71073","MoKα","","0.2782","0.1483","","","0.2413","0.2882","","","","","","1.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101123","14.045","0.001","11.749","0.0007","19.701","0.002","90","","90","","90","","3251","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl2 Cu N4 O4 -","- C10 H16 Cl2 Cu N4 O4 -","- C80 H128 Cl16 Cu8 N32 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0415","","","0.0967","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101130","15.2488","0.0012","15.238","0.0015","21.563","0.002","90","","90","","90","","5010.5","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Au Br4 N8 Na O4 -","- C16 H16 Au Br4 N8 Na O4 -","- C128 H128 Au8 Br32 N64 Na8 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives","Journal of Chemical Cristallography","1998","28","7","565","570","10.1023/A:1023252324268","","","","","","","0.0533","","","0.1001","","","","","","","","","","","has coordinates","174850","2020-10-21","18:00:00",""
"1200001","15.9407","0.0015","9.1737","0.001","19.015","0.002","90","","90","","90","","2780.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8,9-Dimethoxy-10b-methyl-1-oxo-6,10b-dihydro-5H- thiazolo[2,3-a]isoquinolin-3-one","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C112 H136 N8 O32 S8 -","8","1","","Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka","Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides","Acta Crystallographica, Section C","2001","57","12","1454","1456","10.1107/S0108270101016638","","","1.54178","CuKα","","0.0404","0.0327","","","0.0939","0.098","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1500007","18.6201","0.001","12.0872","0.0006","24.0877","0.0012","90","","90","","90","","5421.3","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C8 H32 Br4 Cd Cl4 Co2 N8 -","- C64 H256 Br32 Cd8 Cl32 Co16 N64 -","8","1","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~","Journal of Molecular Structure","2006","794","","341","347","10.1016/j.molstruc.2006.02.053","","","0.71073","MoKα","","0.0973","0.0727","","","0.2214","0.2409","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500011","14.9599","0.0007","19.0064","0.0009","23.4883","0.0011","90","","90","","90","","6678.5","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl2 Co N9 O12 -","- C24 H18 Cl2 Co N9 O12 -","- C192 H144 Cl16 Co8 N72 O96 -","8","1","","Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito","Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity","Journal of Inorganic Biochemistry","2008","102","","1677","1683","10.1016/j.jinorgbio.2008.04.004","","","0.71073","MoKα","","0.1015","0.0713","","","0.2027","0.2247","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500019","9.4668","0.0007","8.8177","0.0006","25.9413","0.0018","90","","90","","90","","2165.5","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","","Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós","Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br","Polyhedron","2007","26","","1292","1302","10.1016/j.poly.2006.10.047","","","0.71073","MoKα","","0.0584","0.0467","","","0.1264","0.1347","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1500040","16.33228","0.00018","16.2155","0.0003","7.24228","0.00009","90","","90","","90","","1918.02","0.05","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Silver(I) complex of 2,2-Dimethyl-1,3-Diisocyano Propane","","- C7 H10 Ag Cl N2 -","- C7 H10 Ag Cl N2 -","- C56 H80 Ag8 Cl8 N16 -","8","1","","Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K.","Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand","Pol.J.Chem.","2008","82","","547","557","","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","2.9758","1.85","","","","","","","has coordinates","190405","2020-10-21","18:00:00",""
"1501558","7.6138","0.0009","16.0573","0.0019","19.894","0.002","90","","90","","90","","2432.2","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Ag F3 O2 S2 -","- C7 H12 Ag F2.925 O2 S2 -","- C56 H96 Ag8 F23.4 O16 S16 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.1477","0.0722","","","0.1666","0.2064","","","","","","0.923","","","","has coordinates,has disorder","256942","2020-10-21","18:00:00",""
"1501708","11.0859","0.0001","13.0805","0.0001","15.8132","0.0002","90","","90","","90","","2293.06","0.04","183","2","183","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C80 H104 N24 O16 S8 -","8","1","","Farrugia, Louis J.; Khalaji, Aliakbar Dehno","Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone.","The journal of physical chemistry. A","2011","115","45","12512","12522","10.1021/jp2026169","","x-ray","0.71073","MoKα","","0.036","0.022","","","","0.024","","","","","","1.394","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501759","16.138","0.003","7.0036","0.0012","22.75","0.004","90","","90","","90","","2571.3","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H16 N6 O4 -","- C10 H16 N6 O4 -","- C80 H128 N48 O32 -","8","1","","Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol","Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.","The journal of physical chemistry. A","2011","115","35","10087","10096","10.1021/jp205793b","","","0.71073","MoKα","","0.0743","0.0477","","","0.1118","0.1258","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501785","14.606","0.0003","12.1974","0.0003","20.733","0.0004","90","","90","","90","","3693.69","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H11 Cl2 N2 Ti -","- C20 H11 Cl2 N2 Ti -","- C160 H88 Cl16 N16 Ti8 -","8","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Saeed, Irfan","Olefin Polymerization by Half-Titanocenes Containing η2-Pyrazolato Ligands−MAO Catalyst Systems","Macromolecules","2011","44","7","1986","","10.1021/ma200018z","","","0.71075","MoKα","","","0.0382","","","","0.1054","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501850","15.338","0.003","13.793","0.002","15.4883","0.0017","90","","90","","90","","3276.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H40 N4 Ni -","- C44 H40 N4 Ni -","- C176 H160 N16 Ni4 -","4","0.5","","Sarma, Tridib; Panda, Pradeepta K.; Anusha, P. T.; Rao, S. Venugopal","Dinaphthoporphycenes: synthesis and nonlinear optical studies.","Organic letters","2011","13","2","188","191","10.1021/ol102378g","","","0.71073","MoKα","","0.0618","0.0377","","","0.1023","0.1105","","","","","","0.786","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501862","14.2119","0.0002","16.668","0.0002","18.1682","0.0003","90","","90","","90","","4303.75","0.11","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H6 B F15 O -","- C22 H6 B F15 O -","- C176 H48 B8 F120 O8 -","8","1","","Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.","Organic letters","2011","13","1","62","65","10.1021/ol102544x","","","0.71073","MoKα","","0.0741","0.0531","","","0.1168","0.1305","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501881","18.5834","0.0007","25.3538","0.0009","32.657","0.0012","90","","90","","90","","15386.7","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C744 H648 N72 O72 -","24","3","","Dial, Brent E.; Rasberry, Roger D.; Bullock, Brooke N.; Smith, Mark D.; Pellechia, Perry J.; Profeta, Jr, Salvatore; Shimizu, Ken D.","Guest-accelerated molecular rotor.","Organic letters","2011","13","2","244","247","10.1021/ol102659n","","","0.71073","MoKα","","0.06","0.0365","","","0.073","0.0804","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501969","10.9327","0.0005","19.6472","0.0009","27.9312","0.0012","90","","90","","90","","5999.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H38 Cl N O2 -","- C35 H38 Cl N O2 -","- C280 H304 Cl8 N8 O16 -","8","1","","Cohen, Daniel T.; Cardinal-David, Benoit; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.","NHC-catalyzed/titanium(IV)-mediated highly diastereo- and enantioselective dimerization of enals.","Organic letters","2011","13","5","1068","1071","10.1021/ol103112v","","","1.54178","CuKα","","0.1328","0.0524","","","0.0901","0.1139","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502038","15.6502","0.0011","13.1606","0.001","37.823","0.003","90","","90","","90","","7790.3","1","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C384 H352 N32 O48 -","16","2","","Chen, Jiun-Jia; Li, Kuan-Ting; Yang, Ding-Yah","Synthesis of coumarin/phenanthridine-fused heterocycles and their photochemical and thermochromic properties.","Organic letters","2011","13","7","1658","1661","10.1021/ol200117b","","x-ray","0.71073","MoKα","","0.1569","0.0718","","","0.1987","0.2572","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502065","7.3583","0.0001","20.2268","0.0004","28.3714","0.0005","90","","90","","90","","4222.65","0.13","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H20 N2 S -","- C27 H20 N2 S -","- C216 H160 N16 S8 -","8","1","","Murai, Toshiaki; Hori, Fumihiko; Maruyama, Toshifumi","Intramolecular cyclization of in situ generated adducts formed between thioamide dianions and thioformamides leading to generation of 5-amino-2-thiazolines and 5-aminothiazoles, and their fluorescence properties.","Organic letters","2011","13","7","1718","1721","10.1021/ol200231z","","","0.71075","MoKα","","","0.0667","","","","0.133","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502084","11.542","0.002","12.157","0.003","15.623","0.003","90","","90","","90","","2192.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN","Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways.","Organic letters","2011","13","9","2180","2183","10.1021/ol200390j","","","0.71073","MoKα","","0.085","0.055","","","0.1507","0.1688","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502086","19.6684","0.0017","6.0152","0.0005","26.14","0.002","90","","90","","90","","3092.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 O -","- C18 H26 O -","- C144 H208 O8 -","8","1","","Rendina, Victor L.; Moebius, David C.; Kingsbury, Jason S.","An enantioselective synthesis of 2-aryl cycloalkanones by Sc-catalyzed carbon insertion.","Organic letters","2011","13","8","2004","2007","10.1021/ol200402m","","","0.71073","MoKα","","0.0694","0.0525","","","0.1434","0.1573","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502090","8.2616","0.0008","18.2223","0.0016","34.406","0.004","90","","90","","90","","5179.7","0.9","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","1-tosyl-6-(4-(trifluoromethyl)phenyl)-8-(trimethylsilyl)-1,2,3,4-tetrahydro-1,7-naphthyridine","","- C25 H27 F3 N2 O2 S Si -","- C25 H27 F3 N2 O2 S Si -","- C200 H216 F24 N16 O16 S8 Si8 -","8","1","","Garcia, Pierre; Evanno, Yannick; George, Pascal; Sevrin, Mireille; Ricci, Gino; Malacria, Max; Aubert, Corinne; Gandon, Vincent","Regioselective cobalt-catalyzed formation of bicyclic 3- and 4-aminopyridines.","Organic letters","2011","13","8","2030","2033","10.1021/ol200417p","","","0.71073","MoKα","","0.0738","0.0626","","","0.1628","0.1761","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502119","13.2943","0.0007","7.4099","0.0004","27.6216","0.0014","90","","90","","90","","2721","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 -","- C16 H17 N3 -","- C128 H136 N24 -","8","1","","Kumar, Rapolu Kiran; Ali, Md Ashif; Punniyamurthy, Tharmalingam","Pd-catalyzed C-H activation/C-N bond formation: a new route to 1-aryl-1H-benzotriazoles.","Organic letters","2011","13","8","2102","2105","10.1021/ol200523a","","","0.71073","MoKα","","0.0952","0.0497","","","0.1191","0.1369","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502379","14.934","0.0002","9.5657","0.0001","17.7739","0.0002","90","","90","","90","","2539.08","0.05","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Br2 N4 O2 -","- C11 H10 Br2 N4 O2 -","- C88 H80 Br16 N32 O16 -","8","1","","Hewlett, Nicole M.; Tepe, Jetze J.","Total synthesis of the natural product (±)-dibromophakellin and analogues.","Organic letters","2011","13","17","4550","4553","10.1021/ol201741r","","x-ray","1.54178","CuKα","","0.0355","0.0337","","","0.0814","0.0826","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502387","12.771","0.002","9.914","0.0017","18.545","0.003","90","","90","","90","","2348","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","1","","Shen, Hao; Wang, Yang; Xie, Zuowei","Ti-amide catalyzed synthesis of cyclic guanidines from di-/triamines and carbodiimides.","Organic letters","2011","13","17","4562","4565","10.1021/ol201752e","","","0.71073","MoKα","","0.0772","0.0477","","","0.1321","0.1717","","","","","","0.965","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502458","9.2396","0.0001","14.8406","0.0002","27.0972","0.0003","90","","90","","90","","3715.6","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Sladojevich, Filippo; Michaelides, Iacovos N.; Benjamin, Darses; Ward, John W.; Dixon, Darren J.","Expedient Route to the functionalized calyciphylline A-type skeleton via a Michael addition-RCM strategy.","Organic letters","2011","13","19","5132","5135","10.1021/ol202000w","","","0.71073","MoKα","","0.0764","0.0446","","0.1409","0.1044","0.1409","","","","","","0.9789","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502473","13.1485","0.0016","16.858","0.002","25.981","0.003","90","","90","","90","","5758.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N2 O2 S -","- C34 H34 N2 O2 S -","- C272 H272 N16 O16 S8 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.159","0.0697","","","0.1677","0.1999","","","","","","0.853","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502474","15.4711","0.0009","9.7718","0.0006","39.174","0.002","90","","90","","90","","5922.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Br2 N O4 -","- C31 H37 Br2 N O4 -","- C248 H296 Br16 N8 O32 -","8","1","","Cheng, Jiajia; Jiang, Xuefeng; Ma, Shengming","Palladium-catalyzed approach to stereodefined ten-membered cycles from 1,5-bisallenes.","Organic letters","2011","13","19","5200","5203","10.1021/ol202074e","","","0.71073","MoKα","","0.0589","0.0388","","","0.084","0.0939","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502561","10.1514","0.0005","18.0417","0.0011","18.4086","0.001","90","","90","","90","","3371.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","1","","Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.","Total synthesis of norcembrenolide B and scabrolide D.","Organic letters","2011","13","21","5854","5857","10.1021/ol202476j","","","1.54178","CuKα","","0.0397","0.0313","","","0.0783","0.0831","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502595","7.889","0.0016","17.297","0.004","22.433","0.005","90","","90","","90","","3061.1","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Chun, Yu Sung; Lee, Jun Hee; Kim, Ju Hyun; Ko, Young Ok; Lee, Sang-gi","Tandem one-pot synthesis of polysubstituted pyridines using the Blaise reaction intermediate and 1,3-enynes.","Organic letters","2011","13","24","6390","6393","10.1021/ol202691b","","","0.71073","MoKα","","0.0498","0.0393","","","0.1068","0.1103","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502613","7.8221","0.0005","14.5983","0.0008","27.4837","0.0016","90","","90","","90","","3138.3","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Yagishita, Fumitoshi; Sakamoto, Masami; Mino, Takashi; Fujita, Tsutomu","Asymmetric intramolecular cyclobutane formation via photochemical reaction of N,N-diallyl-2-quinolone-3-carboxamide using a chiral crystalline environment.","Organic letters","2011","13","23","6168","6171","10.1021/ol2028652","","","0.71073","MoKα","","0.057","0.0372","","","0.0912","0.1007","","","","","","0.984","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502638","14.7393","0.0004","10.7465","0.0003","25.4251","0.0007","90","","90","","90","","4027.23","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H15 Br N4 -","- C25 H15 Br N4 -","- C200 H120 Br8 N32 -","8","1","BT2842","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0934","0.0401","","","0.0949","0.1202","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502675","8.0067","0.0008","7.9511","0.0008","9.2216","0.0009","90","","90","","90","","587.07","0.1","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonia Trifluoroborane","","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter","Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.","The journal of physical chemistry. A","2010","114","37","10185","10196","10.1021/jp100995n","","","0.71073","MoKα","","0.024","0.014","","","","0.031","0.029","","","","","2.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502729","11.0135","0.0002","10.1491","0.0002","19.8528","0.0003","90","","90","","90","","2219.09","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari","Self-organization of 2-acylaminopyridines in the solid state and in solution.","The journal of physical chemistry. A","2010","114","38","10421","10426","10.1021/jp1063116","","","0.71073","MoKα","","0.0477","0.0401","","","0.0972","0.103","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502760","11.408","0.002","25.189","0.005","28.093","0.005","90","","90","","90","","8073","3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H49 N3 -","- C46.7 H48.1 N3 -","- C373.6 H384.8 N24 -","8","1","","Suwa, Kazuya; Otsuki, Joe; Goto, Kei","Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.","The journal of physical chemistry. A","2010","114","2","884","890","10.1021/jp909922y","","","0.71075","MoKα","","0.1313","0.099","","","0.186","0.2174","","","","","","1.171","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502778","10.084","0.002","14.552","0.004","24.36","0.006","90","","90","","90","","3574.6","1.5","293.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Br2 N2 Ni O2 -","- C20 H12 Br2 N2 Ni O2 -","- C160 H96 Br16 N16 Ni8 O16 -","8","1","","Fukumoto, Hiroki; Yamane, Kazuto; Kase, Yumiko; Yamamoto, Takakazu","π-Conjugated Poly(aryleneethynylene)s Consisting of Salophen and Ni−Salophen Units in the π-Conjugated Main Chain: Preparation and Chemical Properties","Macromolecules","2010","43","24","10366","","10.1021/ma101800f","","","0.7107","MoKα","","","0.0518","","","","0.0681","","","","","","0.838","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502897","9.572","0.0006","13.652","0.0008","19.809","0.0015","90","","90","","90","","2588.6","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C120 H136 N8 O24 -","8","1","","DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F.","Concise total synthesis of (+/-)-lycopladine A.","Organic letters","2010","12","7","1576","1579","10.1021/ol100273p","","","0.7107","MoKα","","0.0847","0.0492","","","0.102","0.116","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502906","9.9717","0.0003","8.8126","0.0003","25.5594","0.0011","90","","90","","90","","2246.07","0.14","173","","173","","","","","","","","LOC ETH Zurich","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0853","0.0467","","","0.1216","0.1472","","","","","","0.886","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502921","10.7478","0.0002","12.6636","0.0003","26.7573","0.0006","90","","90","","90","","3641.82","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex4","complex4","","- C17 H28 Cl N2 Rh -","- C17 H28 Cl N2 Rh -","- C136 H224 Cl8 N16 Rh8 -","8","1","","Kim, Min; Chang, Sukbok","Rhodium(NHC)-catalyzed amination of aryl bromides.","Organic letters","2010","12","7","1640","1643","10.1021/ol100437j","","","0.71073","MoKα","","0.035","0.0287","","","0.0645","0.0668","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502945","9.1721","0.0003","14.0916","0.0005","16.1791","0.0006","90","","90","","90","","2091.14","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 B I O4 -","- C8 H10 B I O4 -","- C64 H80 B8 I8 O32 -","8","1","","Al-Zoubi, Raed M; Hall, Dennis G.","Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids.","Organic letters","2010","12","11","2480","2483","10.1021/ol100537x","","","0.71073","MoKα","","0.0186","0.0179","","","0.0459","0.0463","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502990","17.066","0.0013","14.6477","0.0012","17.8123","0.0012","90","","90","","90","","4452.7","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B12 F12 N8 -","- C8 H12 B12 F12 N8 -","- C64 H96 B96 F96 N64 -","8","1","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","1.54178","CuKα","","0.063","0.0468","","","0.1313","0.1444","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503005","12.126","0.003","21.131","0.005","30.52","0.007","90","","90","","90","","7820","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Cl2 Cu N12 O14 -","- C30 H38 Cl2 Cu N12 O14 -","- C240 H304 Cl16 Cu8 N96 O112 -","8","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0994","0.0648","","","0.146","0.1613","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503092","15.2284","0.0007","17.6487","0.0008","17.8733","0.0009","90","","90","","90","","4803.7","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F3 N O2 S -","- C26 H22 F3 N O2 S -","- C208 H176 F24 N8 O16 S8 -","8","1","","Minami, Yasunori; Kuniyasu, Hitoshi; Sanagawa, Atsushi; Kambe, Nobuaki","Pd-catalyzed regioselective iminothiolation of alkynes: a remarkable effect of the CF3 group of iminosulfides.","Organic letters","2010","12","17","3744","3747","10.1021/ol101289k","","","1.54187","CuKα","","0.079","0.0661","","","0.1704","0.1885","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503100","18.9939","0.0003","7.0672","0.0001","21.2043","0.0004","90","","90","","90","","2846.33","0.08","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 Cl O2 -","- C18 H21 Cl O2 -","- C144 H168 Cl8 O16 -","8","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0325","0.0316","","","0.0895","0.0909","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503186","15.361","0.003","14.451","0.004","23.729","0.005","90","","90","","90","","5267","2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H28 B Cl2 F N2 O -","- C30 H28 B Cl2 F N2 O -","- C240 H224 B8 Cl16 F8 N16 O8 -","8","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.1484","0.0991","","","0.2635","0.2982","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503203","15.103","0.003","6.0078","0.0012","21.747","0.004","90","","90","","90","","1973.2","0.7","571","2","571","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C96 H72 Cl8 O16 -","8","1","","Huo, Fang-Jun; Sun, Yuan-Qiang; Su, Jing; Yang, Yu-Tao; Yin, Cai-Xia; Chao, Jian-Bin","Chromene ""lock"", thiol ""key"", and mercury(II) ion ""hand"": a single molecular machine recognition system.","Organic letters","2010","12","21","4756","4759","10.1021/ol101771j","","","0.71073","MoKα","","0.0494","0.0442","","","0.1012","0.1037","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503208","9.9559","0.0003","13.4641","0.0003","21.4149","0.0006","90","","90","","90","","2870.61","0.13","150","1","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","1","","Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.","Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.","Organic letters","2010","12","20","4446","4449","10.1021/ol1018147","","","0.71073","MoKα","","0.1078","0.056","","","0.1325","0.1615","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503260","9.8904","0.0002","13.3099","0.0002","13.8982","0.0002","90","","90","","90","","1829.56","0.05","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","1","","Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique","Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates.","Organic letters","2010","12","21","4904","4907","10.1021/ol102061k","","","0.71073","MoKα","","0.0598","0.0461","","0.1353","0.1249","0.1353","","","","","","0.926","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503297","18.994","0.003","7.2836","0.001","25.679","0.004","90","","90","","90","","3552.6","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 Si -","- C18 H24 O3 Si -","- C144 H192 O24 Si8 -","8","1","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.125","0.1041","","","0.264","0.2796","","","","","","1.11","","","","has coordinates,has disorder","218626","2020-10-21","18:00:00",""
"1503319","10.6357","0.0002","12.4031","0.0002","22.803","0.0003","90","","90","","90","","3008.07","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.0385","0.0361","","","0.0921","0.0946","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503370","8.9624","0.0008","19.1122","0.0018","31.228","0.003","90","","90","","90","","5349.1","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","compd-1","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C192 H176 S48 Si16 -","8","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0589","0.0411","","","0.0875","0.0972","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503377","7.0652","0.0011","20.188","0.003","21.214","0.003","90","","90","","90","","3025.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C152 H104 N24 O8 -","8","1","","Zhao, Tiankun; Xu, Bin","Palladium-catalyzed tandem amination reaction for the synthesis of 4-quinolones.","Organic letters","2010","12","2","212","215","10.1021/ol902626d","","","0.71073","MoKα","","0.0667","0.042","","","0.0925","0.1049","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503383","22.9778","0.0019","21.9054","0.0018","26.306","0.002","90","","90","","90","","13240.8","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C118 H166 F30 N14 O20 -","- C118 H166 F30 N14 O20 -","- C472 H664 F120 N56 O80 -","4","0.5","","Arunachalam, M.; Ghosh, Pradyut","Bistripodand amide host for compartmental recognition of multiple oxyanions.","Organic letters","2010","12","2","328","331","10.1021/ol9026649","","","0.71073","MoKα","","0.0872","0.0608","","","0.1507","0.1701","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503471","8.3669","0.0006","17.2652","0.0012","20.0508","0.0014","90","","90","","90","","2896.5","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Ponnapalli, M. Gowri; Annam, S Ch V A Rao; Ravirala, Saidulu; Sukki, Sushma; Ankireddy, Madhu; Tuniki, V. Raju","Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum.","Journal of natural products","2012","75","2","275","279","10.1021/np200789s","","","0.71073","MoKα","","0.0436","0.0409","","","0.095","0.0968","","","","","","1.09","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503509","22.06","0.0019","6.295","0.0006","34.93","0.003","90","","90","","90","","4850.6","0.7","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[5-Azido-10,20-diphenylporphyrinato]nickel(II)","","- C32 H19 N7 Ni -","- C32 H19 N7 Ni -","- C256 H152 N56 Ni8 -","8","1","","Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi","Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.","Organic letters","2012","14","1","190","193","10.1021/ol202973z","","","0.71073","MoKα","","0.0854","0.0555","","","0.1243","0.1384","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503520","13.5392","0.0006","6.7124","0.0004","20.4694","0.001","90","","90","","90","","1860.27","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 N2 O2 -","- C8 H16 N2 O2 -","- C64 H128 N16 O16 -","8","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.5418","CuKα","","0.0708","0.0608","","0.1994","0.1944","0.1994","","","","","","1.1802","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503588","19.5308","0.0011","10.1952","0.0006","24.8108","0.0014","90","","90","","90","","4940.3","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N2 O4 S -","- C27.96 H27.91 N2 O4 S -","- C223.68 H223.28 N16 O32 S8 -","8","1","","Wang, Liang; Guo, Wei; Zhang, Xiao-Xiao; Xia, Xu-Dong; Xiao, Wen-Jing","Synthesis of Indolo [1,2-a]Quinoxalines via a Pd-Catalyzed Regioselective C-H Olefination/Cyclization Sequence.","Organic letters","2012","14","3","740","743","10.1021/ol203275b","","","0.71073","MoKα","","0.0755","0.0633","","","0.1329","0.1376","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503659","8.7519","0.0003","16.8317","0.0005","25.6881","0.0008","90","","90","","90","","3784.1","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzyl-6-(butylamino)-1,3,5-triazine-2,4(1H,3H)-dione","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C168 H192 N32 O16 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0807","0.0684","","","0.1681","0.1774","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503660","8.973","0.0005","8.3478","0.0005","28.1826","0.0015","90","","90","","90","","2111","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-(Hydroxyimino)-1-methyl-3-phenyl-1,3,5-triazine-2,4-dione","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0814","0.0708","","","0.148","0.1529","","","","","","1.253","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503721","8.0384","0.0007","16.6403","0.0015","33.381","0.003","90","","90","","90","","4465.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N5 O4 -","- C22 H33 N5 O4 -","- C176 H264 N40 O32 -","8","1","","Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C.","Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality.","Organic letters","2009","11","1","61","64","10.1021/ol802344w","","","0.71073","MoKα","","0.1977","0.0618","","","0.1079","0.1533","","","","","","0.993","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1503737","16.753","0.004","17.878","0.005","18.941","0.007","90","","90","","90","","5673","3","123","2","123","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71075","MoKα","","0.1694","0.0651","","","0.1264","0.1628","","","","","","0.98","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503748","12.596","0.003","17.629","0.004","20.182","0.003","90","","90","","90","","4481.5","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C176 H224 N8 O40 P8 S8 -","8","1","","Shintani, Ryo; Murakami, Masataka; Hayashi, Tamio","Stereoselective synthesis of nipecotic acid derivatives via palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with imines.","Organic letters","2009","11","2","457","459","10.1021/ol802569q","","","0.71075","MoKα","","0.059","0.0484","","","0.1265","0.1321","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503798","11.725","0.003","13.381","0.003","17.617","0.004","90","","90","","90","","2764","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Wang, Kewei; Fu, Xiaolan; Liu, Jinying; Liang, Yongjiu; Dong, Dewen","PIFA-mediated oxidative cyclization of 1-carbamoyl-1-oximylcycloalkanes: synthesis of spiro-fused pyrazolin-5-one N-oxides.","Organic letters","2009","11","4","1015","1018","10.1021/ol802952e","","","0.71069","MoKα","","0.1725","0.0987","","","0.1735","0.2009","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503808","25.479","0.005","5.981","0.0012","30.461","0.006","90","","90","","90","","4641.9","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O2 Te -","- C6 H8 O2 Te -","- C144 H192 O48 Te24 -","24","3","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue.","Organic letters","2009","11","7","1487","1490","10.1021/ol9000608","","","0.71073","MoKα","","0.0728","0.041","","","0.0952","0.1044","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503835","19.8903","0.0008","16.9211","0.0007","25.5102","0.001","90","","90","","90","","8585.9","0.6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H45 Cl3 I2 N2 O2 -","- C37 H45 Cl3 I2 N2 O2 -","- C296 H360 Cl24 I16 N16 O16 -","8","1","","Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M.","Unusual mechanistic course of some NHC-mediated transesterifications.","Organic letters","2009","11","7","1643","1646","10.1021/ol900257t","","","0.71073","MoKα","","0.0732","0.0721","","","0.147","0.1475","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503846","10.455","0.002","11.538","0.002","29.956","0.006","90","","90","","90","","3613.6","1.2","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O -","- C23 H23 N O -","- C184 H184 N8 O8 -","8","1","","Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions.","Organic letters","2009","11","9","1911","1914","10.1021/ol900355h","","","0.71073","MoKα","","0.0596","0.0368","","","0.0914","0.0989","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503882","12.215","0.002","8.434","0.002","34.429","0.006","90","","90","","90","","3546.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-benzyl 2-(1-(4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)- ethyl)hydrazinecarboxylate","","- C16 H19 N3 O3 S2 -","- C16 H19 N3 O3 S2 -","- C128 H152 N24 O24 S16 -","8","1","","Attanasi, Orazio A.; Crescentini, Lucia De; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Behalo, Mohamed S.","An efficient one-pot, three-component synthesis of 5-hydrazinoalkylidene rhodanines from 1,2-diaza-1,3-dienes.","Organic letters","2009","11","11","2265","2268","10.1021/ol900545v","","","0.71073","MoKα","","0.1094","0.0516","","","0.1068","0.1313","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503932","9.7178","0.0008","12.0387","0.001","29.641","0.003","90","","90","","90","","3467.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C144 H208 N16 O24 -","8","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0591","0.0456","","","0.1213","0.1339","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503943","6.936","0.002","17.283","0.004","20.657","0.005","90","","90","","90","","2476.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-((4E,5Z)-5-amino-4,5-bis(hydroxyimino)pentyl) -3H-pyrrole-5-carboxamide","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C80 H120 N40 O24 -","8","1","","Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali","Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.","Organic letters","2009","11","12","2523","2526","10.1021/ol900745c","","","0.71069","MoKα","","0.0662","0.0428","","","0.1085","0.1213","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503989","12.7255","0.0006","9.7373","0.0005","26.8842","0.0013","90","","90","","90","","3331.3","0.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C144 H168 N8 O40 -","8","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0386","0.0356","","","0.0953","0.0988","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504012","9.6873","0.0006","17.8299","0.0011","18.963","0.0011","90","","90","","90","","3275.4","0.3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N S2 -","- C20 H17 N S2 -","- C160 H136 N8 S16 -","8","1","","Balaji, Ganapathy; Valiyaveettil, Suresh","Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles.","Organic letters","2009","11","15","3358","3361","10.1021/ol901133m","","","0.71073","MoKα","","0.0754","0.062","","","0.1508","0.1592","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504064","17.103","0.004","8.857","0.002","29.744","0.008","90","","90","","90","","4505.7","1.9","123.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Br N O4 -","- C25 H26 Br N O4 -","- C200 H208 Br8 N8 O32 -","8","1","","Shintani, Ryo; Hayashi, Shin-ya; Murakami, Masataka; Takeda, Momotaro; Hayashi, Tamio","Stereoselective synthesis of spirooxindoles by palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with isatins.","Organic letters","2009","11","16","3754","3756","10.1021/ol901348f","","","0.71075","MoKα","","","0.0553","","","","0.073","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504083","14.488","0.002","18.236","0.003","28.915","0.004","90","","90","","90","","7639","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H52 N8 O8 -","- C36 H52 N8 O8 -","- C288 H416 N64 O64 -","8","1","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0727","0.0486","","","0.1037","0.1108","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1504107","13.0902","0.0008","16.4023","0.001","19.4869","0.0012","90","","90","","90","","4184","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C200 H224 N16 O24 -","8","1","","Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah","One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.","Organic letters","2009","11","18","4064","4067","10.1021/ol901505e","","x-ray","0.71073","MoKα","","0.0703","0.0474","","","0.1445","0.1561","","","","","","1.318","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504118","9.4658","0.0002","10.2821","0.0002","19.9354","0.0004","90","","90","","90","","1940.28","0.07","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","1","","Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K.","Acyl-isothiocyanates as efficient thiocyanate transfer reagents.","Organic letters","2009","11","15","3382","3385","10.1021/ol901561j","","","0.71073","MoKα","","0.0473","0.0372","","","0.1426","0.1581","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504144","7.9296","0.0011","11.5575","0.0016","14.399","0.002","90","","90","","90","","1319.6","0.3","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H14 -","- C20 H16 -","- C80 H64 -","4","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.044","0.0391","","","0.1058","0.1094","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504171","9.2519","0.0009","16.7091","0.0016","20.816","0.002","90","","90","","90","","3218","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O S -","- C18 H24 O S -","- C144 H192 O8 S8 -","8","1","","Liu, Taoping; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent.","Organic letters","2009","11","20","4576","4579","10.1021/ol901818j","","","0.71073","MoKα","","0.082","0.0409","","","0.0797","0.0883","","","","","","0.833","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504236","9.03","0.005","11.494","0.006","26.562","0.014","90","","90","","90","","2757","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ethyl 2-((1R,9bS)-9b-hydroxy-5-oxo-2,3,5,9b- tetrahydro-1H-pyrrolo[2,1-a]isoindol-1-yl)acetate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C120 H136 N8 O32 -","8","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0991","0.0546","","","0.1186","0.1359","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504237","9.4786","0.0007","10.8076","0.0008","28.163","0.002","90","","90","","90","","2885","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ethyl 2-((1R,10bS)-10b-hydroxy-6-oxo-1,2,3,4,6,10b- hexahydropyrido[2,1-a]isoindol-1-yl)acetate","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0919","0.0576","","","0.1418","0.1614","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504246","10.8889","0.0003","18.2557","0.0003","30.536","0.0006","90","","90","","90","","6070.1","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C39 H42 -","- C39 H42 -","- C312 H336 -","8","1","","Yang, Jye-Shane; Huang, Hsin-Hau; Liu, Yi-Hung; Peng, Shie-Ming","Synthesis and electronic properties of isotruxene-derived star-shaped ladder-type oligophenylenes: bandgap tuning with two-dimensional conjugation.","Organic letters","2009","11","21","4942","4945","10.1021/ol9021035","","","1.54178","CuKα","","0.0626","0.0443","","","0.1264","0.1367","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504253","17.055","0.003","6.187","0.0012","22.305","0.005","90","","90","","90","","2353.6","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N4 -","- C13 H12 N4 -","- C104 H96 N32 -","8","1","","Lee, Sanghee; Park, Seung Bum","An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening.","Organic letters","2009","11","22","5214","5217","10.1021/ol902147u","","","0.71073","MoKα","","0.0772","0.0354","","","0.0784","0.0838","","","","","","0.82","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504290","12.587","0.003","12.897","0.004","30.669","0.007","90","","90","","90","","4979","2","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C224 H256 N16 O24 -","8","1","","Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio","Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes.","Organic letters","2009","11","24","5642","5645","10.1021/ol902326s","","","0.71075","MoKα","","","0.063","","","","0.0786","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504316","16.163","0.01","8.953","0.005","22.95","0.014","90","","90","","90","","3321","3","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C144 H144 N16 O48 -","16","2","","Hansen, Marvin M.; Borders, Sandra S. K.; Clayton, Marcella T.; Heath, Perry C.; Kolis, Stanley P.; Larsen, Samuel D.; Linder, Ryan J.; Reutzel-Edens, Susan M.; Smith, Justin C.; Tameze, Shella L.; Ward, Jeffrey A.; Weigel, Leland O.","Development of a Practical Synthesis of an Aminoindanol-Derived M1 Agonist†","Organic Process Research & Development","2009","13","2","198","","10.1021/op800243q","","","0.71073","MoKα","","0.0974","0.0452","","","0.1007","0.1176","","","","","","0.963","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504319","9.4251","0.0002","9.2575","0.0002","20.1686","0.0005","90","","90","","90","","1759.77","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloropropionanilide","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0428","0.0372","","","0.0863","0.0905","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504320","9.7381","0.0002","10.0151","0.0001","22.9501","0.0004","90","","90","","90","","2238.28","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Chloro-t-butylanilide","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C88 H112 Cl8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0401","0.0331","","","0.0812","0.0859","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504323","10.848","0.0004","9.8017","0.0003","13.5375","0.0004","90","","90","","90","","1439.43","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-Bromoformanilide","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Hursthouse, Michael B.; Huth, L. Susanne; Threlfall, Terence L.","Why Do Organic Compounds Crystallise Well or Badly or Ever so Slowly? Why Is Crystallisation Nevertheless Such a Good Purification Technique?†","Organic Process Research & Development","2009","13","6","1231","","10.1021/op900169b","","","0.71073","MoKα","","0.0326","0.0255","","","0.0614","0.0668","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504334","10.2548","0.0005","17.3996","0.0013","21.2408","0.0012","90","","90","","90","","3790","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N4 O3 -","- C17 H26 N4 O3 -","- C136 H208 N32 O24 -","8","1","","Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid","Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives","Journal of Combinatorial Chemistry","2008","10","4","595","","10.1021/cc8000635","","","0.71073","MoKα","","0.1205","0.0837","","","0.1676","0.1842","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504366","15.064","0.003","5.9041","0.0005","32.08","0.007","90","","90","","90","","2853.2","0.9","","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H8 F6 N2 O -","- C16 H8 F6 N2 O -","- C128 H64 F48 N16 O8 -","8","1","","Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups","Journal of Physical Chemistry C","2008","112","21","7939","","10.1021/jp711836b","","","0.71073","MoKα","","0.0659","0.0461","","","0.1152","0.1217","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504407","8.3395","0.0003","8.5023","0.0003","17.1507","0.0005","90","","90","","90","","1216.07","0.07","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu2 N4 O6 -","- C6 H16 Cu2 N4 O6 -","- C24 H64 Cu8 N16 O24 -","4","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.038","0.021","","","","0.029","","","","","","1.618","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504408","8.3459","0.0002","8.5084","0.0002","17.1684","0.0004","90","","90","","90","","1219.13","0.05","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu2 N4 O6 -","- C6 H16 Cu2 N4 O6 -","- C24 H64 Cu8 N16 O24 -","4","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.026","0.02","","","","0.028","","","","","","1.692","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504430","16.7466","0.0003","20.0392","0.0005","29.3774","0.0006","90","","90","","90","","9858.7","0.4","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H19 B Cl2 I2 N2 O -","- C24 H19 B Cl2 I2 N2 O -","- C384 H304 B16 Cl32 I32 N32 O16 -","16","2","","Nagata, Yuuya; Chujo, Yoshiki","Main-Chain-TypeN,N′-Chelate Organoboron Aminoquinolate Polymers: Synthesis, Luminescence, and Energy Transfer Behavior","Macromolecules","2008","41","10","3488","","10.1021/ma702873a","","","0.71075","MoKα","","0.0761","0.0445","","","0.115","0.1475","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504524","6.3174","0.0007","23.129","0.003","24.546","0.003","90","","90","","90","","3586.5","0.8","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,15-bis(dibromomethylene)cyclopentadeca-1,3-diyne","","- C17 H18 Br4 -","- C17 H18 Br4 -","- C136 H144 Br32 -","8","1","","Spantulescu, Andreea; Luu, Thanh; Zhao, Yuming; McDonald, Robert; Tykwinski, Rik R.","Synthesis and characterization of cyclic alkyl tetraynes.","Organic letters","2008","10","4","609","612","10.1021/ol702898a","","","0.71073","MoKα","","0.0739","0.0393","","","0.0743","0.0856","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504557","9.1369","0.0003","20.4629","0.0005","25.729","0.0006","90","","90","","90","","4810.5","0.2","296.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 B N O3 Si -","- C27 H26 B N O3 Si -","- C216 H208 B8 N8 O24 Si8 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Nakajima, Hideto; Chiba, Kouji; Baba, Akio","Fine-tuning of boron complexes with cage-shaped ligand geometry: rational design of triphenolic ligand as a template for structure control.","Organic letters","2008","10","5","929","932","10.1021/ol7030944","","","0.71075","MoKα","","","0.0462","","","","0.0553","","","","","","1.016","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504593","11.0748","0.0002","13.0716","0.0003","25.1947","0.0005","90","","90","","90","","3647.32","0.13","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Sp,Ss)*-4-benzylsulfinyl-[2.2]-paracyclophane","","- C23 H22 O S -","- C23 H22 O S -","- C184 H176 O8 S8 -","8","1","","Lohier, Jean-François; Foucoin, Florian; Jaffrès, Paul-Alain; Garcia, José I; Sopková-de Oliveira Santos, Jana; Perrio, Stéphane; Metzner, Patrick","An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation.","Organic letters","2008","10","6","1271","1274","10.1021/ol800161m","","","0.71073","MoKα","","0.0874","0.0437","","","0.1046","0.1379","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504596","13.6561","0.0005","16.409","0.0006","26.0092","0.001","90","","90","","90","","5828.2","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H35 N4 O4.5 -","- C34 H35 N4 O4.5 -","- C272 H280 N32 O36 -","8","1","","Hu, Hai-Yu; Xiang, Jun-Feng; Yang, Yong; Chen, Chuan-Feng","Chiral induction in phenanthroline-derived oligoamide foldamers: an acid- and base-controllable switch in helical molecular strands.","Organic letters","2008","10","6","1275","1278","10.1021/ol8001688","","","0.7107","MoKα","","0.0738","0.0653","","","0.1273","0.1309","","","","","","1.237","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504607","13.7887","0.0003","8.2013","0.0003","25.4017","0.001","90","","90","","90","","2872.56","0.17","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","","Magolan, Jakob; Carson, Cheryl A.; Kerr, Michael A.","Total synthesis of (+/-)-mersicarpine.","Organic letters","2008","10","7","1437","1440","10.1021/ol800259s","","","0.71073","MoKα","","0.0912","0.0479","","","0.1082","0.126","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504717","6.8324","0.0004","22.8044","0.0015","23.4492","0.0014","90","","90","","90","","3653.6","0.4","150","","150","","","","","","","","Mairi Rudkin MRA143A","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C176 H216 N8 O16 -","8","1","","Rudkin, Mairi E.; Joensuu, Pekka M.; MacLachlan, William S.; Lam, Hon Wai","Diastereoselective cobalt-catalyzed alkylative aldol cyclizations using trialkylaluminum reagents.","Organic letters","2008","10","14","2939","2942","10.1021/ol800883b","","","0.71073","MoKα","","0.071","0.0403","","0.1001","0.0876","0.1001","","","","","","0.9843","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504726","9.9608","0.0006","9.8561","0.0004","33.131","0.0019","90","","90","","90","","3252.6","0.3","150","1","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C152 H128 O48 -","8","1","","Wilsily, Ashraf; Fillion, Eric","Asymmetric synthesis of carboxylic acid derivatives having an all-carbon alpha-quaternary center through Cu-catalyzed 1,4-addition of dialkylzinc reagents to 2-aryl acetate derivatives.","Organic letters","2008","10","13","2801","2804","10.1021/ol800923q","","","0.71073","MoKα","","0.1276","0.0507","","","0.1111","0.1434","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504878","6.4956","0.0005","18.0854","0.0016","24.885","0.002","90","","90","","90","","2923.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","1","","Duan, Haifeng; Sun, Xiaohua; Liao, Wenyan; Petersen, Jeffrey L.; Shi, Xiaodong","Proline as Lewis base catalyst: diastereoselective synthesis of isoxazoline-N-oxide through [3 + 2] cycloaddition.","Organic letters","2008","10","18","4113","4116","10.1021/ol801656y","","","0.71073","MoKα","","0.0773","0.0478","","","0.1224","0.1444","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504960","38.946","0.003","10.7963","0.0008","7.8297","0.0006","90","","90","","90","","3292.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 O -","- C20 H14 N4 O -","- C160 H112 N32 O8 -","8","1","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0724","0.0521","","","0.1432","0.162","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504969","16.4539","0.0015","13.1086","0.0015","26.12","0.002","90","","90","","90","","5633.8","0.9","113.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H28 Cl3 O2 P2 Rh -","- C29 H28 Cl3 O2 P2 Rh -","- C232 H224 Cl24 O16 P16 Rh8 -","8","1","","Kashiwabara, Taigo; Fuse, Kouichiro; Hua, Ruimao; Tanaka, Masato","Rhodium-complex-catalyzed addition reactions of chloroacetyl chlorides to alkynes.","Organic letters","2008","10","23","5469","5472","10.1021/ol802260w","","","0.7107","MoKα","","","0.0682","","","","0.1878","","","","","","1.29","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504984","9.823","0.002","7.302","0.0015","23.688","0.005","90","","90","","90","","1699.1","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H3 F7 N2 -","- C6 H3 F7 N2 -","- C48 H24 F56 N16 -","8","1","","Lu, Changqing; VanDerveer, Don; DesMarteau, Darryl D.","Fluoroalkylation of imidazoles by hypervalent iodonium salts.","Organic letters","2008","10","24","5565","5568","10.1021/ol802399z","","","0.71073","MoKα","","0.2384","0.1748","","","0.4132","0.4888","","","","","","1.447","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505028","21.134","0.004","10.7258","0.0016","23.111","0.004","90","","90","","90","","5238.8","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H36 Cl Cu N5 O8 -","- C23 H34 Cl Cu N5 O8 -","- C184 H272 Cl8 Cu8 N40 O64 -","8","1","","Sprague, Jennifer E.; Peng, Yijie; Fiamengo, Ashley L.; Woodin, Katrina S.; Southwick, Evan A.; Weisman, Gary R.; Wong, Edward H.; Golen, James A.; Rheingold, Arnold L.; Anderson, Carolyn J.","Synthesis, characterization and in vivo studies of Cu(II)-64-labeled cross-bridged tetraazamacrocycle-amide complexes as models of peptide conjugate imaging agents.","Journal of medicinal chemistry","2007","50","10","2527","2535","10.1021/jm070204r","","","0.71073","MoKα","","0.0712","0.0542","","","0.1303","0.1398","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505062","25.654","0.003","10.4439","0.001","10.2801","0.0012","90","","90","","90","","2754.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O4 S -","- C12 H18 N2 O4 S -","- C96 H144 N16 O32 S8 -","8","1","","Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen","Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities.","The journal of physical chemistry. B","2007","111","19","5254","5263","10.1021/jp068446a","","","1.54178","CuKα","","0.0747","0.0535","","","0.1353","0.153","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505168","13.8475","0.0006","16.2027","0.0007","19.3485","0.0009","90","","90","","90","","4341.2","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H20 O4 -","- C31 H20 O4 -","- C248 H160 O32 -","8","1","","Al-Kaysi, Rabih O.; Dillon, Robert J.; Kaiser, J. Michael; Mueller, Leonard J.; Guirado, Gonzalo; Bardeen, Christopher J.","Photopolymerization of Organic Molecular Crystal Nanorods","Macromolecules","2007","40","25","9040","","10.1021/ma0717082","","","0.71073","MoKα","","0.0491","0.0412","","","0.1112","0.1192","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505266","14.1344","0.0004","14.996","0.0004","15.2331","0.0004","90","","90","","90","","3228.8","0.15","173.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 Ir N O -","- C15 H19 Cl2 Ir N O -","- C120 H152 Cl16 Ir8 N8 O8 -","8","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0271","","","","0.031","","","","","","1.099","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505273","10.9278","0.0012","10.6803","0.0011","24.621","0.003","90","","90","","90","","2873.6","0.6","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G.","Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template.","Organic letters","2007","9","4","615","618","10.1021/ol062869d","","","0.71073","MoKα","","0.0642","0.0401","","","0.0977","0.115","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505451","17.4562","0.0007","15.5902","0.0004","17.8949","0.0007","90","","90","","90","","4870","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C224 H272 N16 O32 -","16","2","","Murphy, John A.; Mahesh, Mohan; McPheators, Gary; Anand, R. Vijaya; McGuire, Thomas M.; Carling, Robert; Kennedy, Alan R.","Fragmentation of nitrone triflates to 9-membered rings.","Organic letters","2007","9","17","3233","3236","10.1021/ol071049d","","","0.71073","MoKα","","0.1275","0.0592","","","0.1171","0.1427","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505466","9.907","0.003","16.144","0.006","17.827","0.006","90","","90","","90","","2851.2","1.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C120 H112 Br8 N8 O32 -","8","1","","Henry, Christopher E.; Kwon, Ohyun","Phosphine-catalyzed synthesis of highly functionalized coumarins.","Organic letters","2007","9","16","3069","3072","10.1021/ol071181d","","","0.71073","MoKα","","0.0783","0.034","","","0.0658","0.0784","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505503","10.0439","0.0007","9.8777","0.0007","27.4151","0.0019","90","","90","","90","","2719.9","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C136 H144 O24 -","8","1","","Lim, Choongmin; Kang, Ji-Eun; Lee, Ji-Eun; Shin, Seunghoon","Gold-catalyzed tandem C-C and C-O bond formation: a highly diastereoselective formation of cyclohex-4-ene-1,2-diol derivatives.","Organic letters","2007","9","18","3539","3542","10.1021/ol071402f","","","0.71073","MoKα","","0.0896","0.0642","","","0.1605","0.1738","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505523","15.9739","0.0017","8.89","0.001","18.522","0.002","90","","90","","90","","2630.3","0.5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cl O2 -","- C15 H17 Cl O2 -","- C120 H136 Cl8 O16 -","8","1","","Grant, Tina N.; West, F. G.","Interrupted nazarov reactions using dichlorocyclopropanes: a novel mode of arene trapping.","Organic letters","2007","9","19","3789","3792","10.1021/ol7015669","","","0.71073","MoKα","","0.0382","0.0333","","","0.0894","0.0943","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505556","14.5524","0.0002","16.6177","0.0003","16.8513","0.0003","90","","90","","90","","4075.11","0.12","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H29 I N O2 -","- C21 H29 I N O2 -","- C168 H232 I8 N8 O16 -","8","1","","Sunderhaus, James D.; Dockendorff, Chris; Martin, Stephen F.","Applications of multicomponent reactions for the synthesis of diverse heterocyclic scaffolds.","Organic letters","2007","9","21","4223","4226","10.1021/ol7018357","","","0.71073","MoKα","","0.0478","0.0314","","","0.0754","0.0829","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505582","10.4278","0.0014","8.5518","0.0012","19.106","0.003","90","","90","","90","","1703.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Cl N O2 -","- C7 H12 Cl N O2 -","- C56 H96 Cl8 N8 O16 -","8","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0755","0.0557","","","0.1176","0.1254","","","","","","1.081","","","","has coordinates","287986","2023-12-04","13:33:14",""
"1505599","8.0935","0.0003","8.065","0.0003","35.0669","0.0015","90","","90","","90","","2288.96","0.16","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","","Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.","Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.","Organic letters","2007","9","26","5421","5424","10.1021/ol7021774","","","0.71073","MoKα","","0.0558","0.0321","","0.0474","0.0407","0.0407","","","","","","1.1185","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505627","12.1354","0.0003","10.5342","0.0003","29.4482","0.0007","90","","90","","90","","3764.56","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N3 O2 -","- C20 H24 Cl N3 O2 -","- C160 H192 Cl8 N24 O16 -","8","1","","Yoshimitsu, Takehiko; Matsuda, Kenichi; Nagaoka, Hiroto; Tsukamoto, Koji; Tanaka, Tetsuaki","Radical fixation of functionalized carbon resources: alpha-sp3C-H carbamoylation of tertiary amines with aryl isocyanates.","Organic letters","2007","9","24","5115","5118","10.1021/ol7023295","","","1.54187","CuKα","","0.1157","0.0501","","","0.1027","0.1163","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505632","18.61","0.004","7.6918","0.0018","20.026","0.005","90","","90","","90","","2866.6","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","1","","Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.","Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.","Organic letters","2007","9","24","5119","5122","10.1021/ol7023373","","","0.71073","MoKα","","0.0934","0.0703","","","0.1717","0.1874","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505750","18.068","0.004","19.887","0.004","28.316","0.006","90","","90","","90","","10174","4","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Cl6 N6 O23 Pt3 Y2 -","- C36 H18 Cl6 N6 O23 Pt3 Y2 -","- C288 H144 Cl48 N48 O184 Pt24 Y16 -","8","1","","Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia","A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes.","The journal of physical chemistry. B","2006","110","43","21509","21520","10.1021/jp0634611","","","0.71073","MoKα","","0.1093","0.0611","","","0.104","0.1171","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505755","23.4721","0.0008","10.2027","0.0004","25.5957","0.0008","90","","90","","90","","6129.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F6 N2 O6 S2 -","- C7 H12 F6 N2 O6 S2 -","- C112 H192 F96 N32 O96 S32 -","16","2","","Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen","Task-specific ionic liquid for solubilizing metal oxides.","The journal of physical chemistry. B","2006","110","42","20978","20992","10.1021/jp0642995","","","1.54178","CuKα","","0.0474","0.04","","","0.0966","0.1007","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505770","16.6918","0.0008","20.6408","0.001","37.0204","0.0014","90","","90","","90","","12754.7","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C71 H85 Cl3 O4 -","- C71 H85 Cl3 O4 -","- C568 H680 Cl24 O32 -","8","1","","Yang, Yong; Swager, Timothy M.","Main-Chain Calixarene Polymers: Conformational Effects on Polymerization","Macromolecules","2006","39","6","2013","","10.1021/ma052630x","","","0.71073","MoKα","","0.0757","0.056","","","0.1379","0.1519","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505808","12.3702","0.0012","8.451","0.0009","19.563","0.002","90","","90","","90","","2045.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br N O2 -","- C10 H10 Br N O2 -","- C80 H80 Br8 N8 O16 -","8","1","","Suárez-Castillo, Oscar R; Beiza-Granados, Lidia; Meléndez-Rodríguez, Myriam; Alvarez-Hernández, Alejandro; Morales-Ríos, Martha S; Joseph-Nathan, Pedro","Synthesis of bromoindole alkaloids from Laurencia brongniartii.","Journal of natural products","2006","69","11","1596","1600","10.1021/np060406a","","","0.71073","MoKα","","0.0752","0.0291","","","0.0568","0.0647","","","","","","0.843","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505845","15.469","0.0017","7.263","0.003","22.129","0.007","90","","90","0.006","90","","2486.2","1.3","268","2","268","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2741","0.1036","","","0.1515","0.2154","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505856","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505900","8.717","0.002","21.365","0.003","23.39","0.003","90","","90","","90","","4356.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cyclopropylammonium benzotriazolate benzotriazole (1:1:2)","","- C21 H22 N10 -","- C21 H22 N10 -","- C168 H176 N80 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0664","0.0507","","","0.1518","0.1623","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505954","10.4474","0.0007","13.7791","0.001","23.7993","0.0016","90","","90","","90","","3426","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement.","Organic letters","2006","8","10","2087","2090","10.1021/ol0605171","","","0.71073","MoKα","","0.0932","0.0554","","","0.1333","0.1523","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505989","8.178","0.0003","12.3849","0.0004","25.8621","0.0009","90","","90","","90","","2619.41","0.16","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0479","0.0371","","","0.1043","0.1106","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506040","16.779","0.003","23.256","0.003","8.243","0.003","90","","90","","90","","3216.5","1.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0562","","","","0.1497","","","","","","1.243","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506047","10.2128","0.001","14.5819","0.0014","26.706","0.003","90","","90","","90","","3977.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C160 H256 O24 Si8 -","8","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0667","0.0564","","","0.1571","0.1683","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506049","7.9917","0.0013","10.5745","0.0018","23.462","0.004","90","","90","","90","","1982.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br I N O -","- C7 H11 Br I0.75 N O -","- C56 H88 Br8 I6 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0943","0.0738","","","0.1971","0.2084","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506050","8.0936","0.0006","10.7502","0.0008","23.5836","0.0017","90","","90","","90","","2052","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H11 I2 N O -","- C7 H11 I2 N O -","- C56 H88 I16 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0643","0.0565","","","0.1377","0.1424","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506104","15.42","0.002","6.561","0.003","23.85","0.008","90","","90","","90","","2412.9","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 B N3 -","- C14 H12 B N3 -","- C112 H96 B8 N24 -","8","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0605","0.0438","","","0.1069","0.1187","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506131","21.57","0.005","8.3502","0.0019","23.271","0.005","90","","90","","90","","4191.4","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.06","0.0393","","","0.0791","0.0881","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506143","10.5307","0.0009","7.9709","0.0007","29.396","0.003","90","","90","","90","","2467.5","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.1045","0.0517","","","0.1428","0.1667","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506144","5.9414","0.0005","14.8154","0.0013","26.69","0.002","90","","90","","90","","2349.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0967","0.045","","","0.0825","0.0972","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506261","11.177","0.002","14.03","0.002","14.477","0.002","90","","90","","90","","2270.2","0.6","287","2","287","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0909","0.0426","","","0.0915","0.0988","","","","","","0.939","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506403","16.7533","0.0002","10.6616","0.0001","17.2351","0.0002","90","","90","","90","","3078.48","0.06","100","2","100","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 B F2 N2 -","- C18 H17 B F2 N2 -","- C144 H136 B8 F16 N16 -","8","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0576","0.0454","","","0.1312","0.1394","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506407","8.6035","0.0019","10.008","0.002","28.521","0.006","90","","90","","90","","2455.8","0.9","86","2","86","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H30 F6 Li2 N2 O6 S2 -","- C14 H30 F6 Li2 N2 O6 S2 -","- C56 H120 F24 Li8 N8 O24 S8 -","4","0.5","","Rocher, Nathalie M.; Frech, Roger; Khan, Masood","Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).","The journal of physical chemistry. B","2005","109","44","20697","20706","10.1021/jp052965g","","","0.71073","MoKα","","0.0543","0.0501","","","0.1523","0.1552","","","","","","1.164","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506476","10.3322","0.0004","11.1219","0.0006","19.0191","0.0011","90","","90","","90","","2185.56","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 O3 -","- C11 H8 Br2 O3 -","- C88 H64 Br16 O24 -","8","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","1.54178","CuKα","","0.0627","0.0576","","","0.1643","0.1722","","","","","","1.071","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506514","10.7905","0.0012","7.675","0.0008","17.5436","0.0019","90","","90","","90","","1452.9","0.3","273","2","273","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,4-Bis-(2-methyl-phenyl)-benzene","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","0.5","","Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar","Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons.","Organic letters","2005","7","7","1291","1294","10.1021/ol050091a","","","0.71073","MoKα","","0.0492","0.0369","","","0.0976","0.1038","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506521","22.607","0.003","5.3689","0.0008","24.359","0.004","90","","90","","90","","2956.6","0.8","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.1487","0.0553","","","0.1061","0.1358","","","","","","0.966","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506550","9.9387","0.0013","11.7542","0.0016","15.485","0.002","90","","90","","90","","1809","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Aspinall, Helen C.; Greeves, Nicholas; Valla, Carine","Samarium diiodide-catalyzed diastereoselective pinacol couplings.","Organic letters","2005","7","10","1919","1922","10.1021/ol050256f","","","0.71073","MoKα","","0.0493","0.0381","","","0.0931","0.0971","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506565","7.6969","0.0012","9.6905","0.0014","16.428","0.002","90","","90","","90","","1225.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Hu, Tianshun; Li, Chaozhong","Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.","Organic letters","2005","7","10","2035","2038","10.1021/ol0505555","","","0.71073","MoKα","","0.0645","0.0474","","","0.1166","0.127","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506567","16.844","0.003","19.929","0.004","26.869","0.005","90","","90","","90","","9019","3","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Nanochloroazatriquinacene - C70","","","- C79 Cl9 N -","- C79 Cl9 N -","- C632 Cl72 N8 -","8","1","","Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene.","Organic letters","2005","7","14","2805","2808","10.1021/ol050557p","","","0.71073","MoKα","","0.0508","0.0391","","","0.1048","0.1132","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506587","11.739","0.0002","9.94","0.0002","31.993","0.0006","90","","90","","90","","3733.12","0.12","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C144 H240 O48 -","8","1","","Denekamp, C.; Gottlieb, L.; Tamiri, T.; Tsoglin, A.; Shilav, R.; Kapon, M.","Two separable conformers of TATP and analogues exist at room temperature.","Organic letters","2005","7","12","2461","2464","10.1021/ol050801c","","","0.71073","MoKα","","0.0654","0.0378","","","0.0936","0.0989","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506617","15.9518","0.0012","12.6973","0.0009","19.0989","0.0013","90","","90","","90","","3868.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C160 H168 N8 O40 S8 -","8","1","","Shi, Yong-Ling; Shi, Min","DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes.","Organic letters","2005","7","14","3057","3060","10.1021/ol051044l","","","0.71073","MoKα","","0.0523","0.0435","","","0.1235","0.129","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506692","5.9697","0.0005","13.3048","0.0012","22.401","0.002","90","","90","","90","","1779.2","0.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","hexahydro-1-benzofuran-3(2H)-one","","","- C9 H14 O3 -","- C9 H14 O3 -","- C72 H112 O24 -","8","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.0608","0.0522","","","0.1358","0.1431","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506698","9.0996","0.0007","11.5389","0.0008","25.785","0.002","90","","90","","90","","2707.4","0.4","150","","150","","","","","","","","P. Joensuu","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","1","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.1124","0.0554","","0.1168","0.1026","0.1168","","","","","","0.7612","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506711","17.1855","0.0011","8.6653","0.0006","24.9779","0.0016","90","","90","","90","","3719.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F6 N O4 S -","- C16 H15 F6 N O4 S -","- C128 H120 F48 N8 O32 S8 -","8","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.1007","0.0885","","","0.1656","0.1718","","","","","","1.149","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506722","8.5596","0.0008","11.4819","0.0012","26.25","0.003","90","","90","","90","","2579.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","1","","Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C.","A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core.","Organic letters","2005","7","21","4721","4724","10.1021/ol0519184","","","0.71073","MoKα","","0.0487","0.0336","","","0.0807","0.0869","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506759","10.162","0.002","11.205","0.002","27.271","0.005","90","","90","","90","","3105.2","1","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.1027","0.0412","","","0.0766","0.0896","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506802","8.11","0.0006","17.9243","0.0014","21.3183","0.0016","90","","90","","90","","3099","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,6-dimethyl-2-phenylpyrimidine","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C112 H96 N32 O32 S8 -","8","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0678","0.0499","","","0.1203","0.1284","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506822","10.411","0.001","13.338","0.001","21.948","0.001","90","","90","","90","","3047.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrafluoroisophthalonitrile","2,4,5,6-tetrafluoro-1,3-benzenedicarbonitrile","","- C16 F8 N4 -","- C16 F8 N4 -","- C128 F64 N32 -","8","1","","Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B.","Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile","The Journal of Physical Chemistry B","2004","108","11","3663","","10.1021/jp037700l","","","0.7107","MoKα","","0.031","0.031","","","","","","","","","","0.58","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506840","17.6569","0.0008","15.4289","0.0007","25.5819","0.0009","90","","90","","90","","6969.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H52 Al2 N8 O21 P4 -","- C12 H42 Al2 N8 O21 P4 -","- C96 H336 Al16 N64 O168 P32 -","8","1","","Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard","Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16)","The Journal of Physical Chemistry B","2004","108","52","20020","","10.1021/jp0485901","","","0.71073","MoKα","","0.1562","0.0749","","","0.1547","0.197","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506858","8.0944","0.0004","13.7017","0.0006","16.9431","0.0008","90","","90","","90","","1879.11","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I2 O2 -","- C18 H20 I2 O2 -","- C72 H80 I8 O8 -","4","0.5","","Englert, Brian C.; Smith, Mark D.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Jacketed Poly(p-phenyleneethynylene)s: Nonaggregating Conjugated Polymers as Blue-Emitting Rods","Macromolecules","2004","37","22","8212","","10.1021/ma048535q","","","0.71073","MoKα","","0.0209","0.0201","","","0.0524","0.053","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506862","21.303","0.003","38.332","0.005","19.564","0.002","90","","90","","90","","15976","3","203.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C62 H124 Cl2 P8 Pd2 Pt2 -","- C496 H992 Cl16 P64 Pd16 Pt16 -","8","1","","Onitsuka, Kiyotaka; Yabe, Ken-ichiro; Ohshiro, Nobuaki; Shimizu, Atsushi; Okumura, Reiko; Takei, Fumie; Takahashi, Shigetoshi","Di- and Trifunctional Initiators Containing Pt−Pd μ-Ethynediyl Units for Living Polymerization of Aryl Isocyanides","Macromolecules","2004","37","22","8204","","10.1021/ma048612h","","","0.7107","MoKα","","","0.0595","","","","0.078","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506889","10.819","0.002","9.869","0.002","22.487","0.005","90","0","90","0","90","0","2401","0.8","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C112 H120 N24 -","8","1","","Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado","Cyclizations of N-stannylaminyl radicals onto nitriles.","Organic letters","2004","6","3","417","420","10.1021/ol036268n","","","1.54178","CuKα","","0.1023","0.0471","","0.1129","","0.0912","","","0.938","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506904","14.8764","0.0017","13.5218","0.0013","27.438","0.003","90","","90","","90","","5519.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N3 O4 Si -","- C28 H33 N3 O4 Si -","- C224 H264 N24 O32 Si8 -","8","1","","Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.","Oxidative rearrangement of imidazoles with dimethyldioxirane.","Organic letters","2004","6","5","735","738","10.1021/ol036403w","","","0.71073","MoKα","","0.132","0.0945","","","0.1984","0.2242","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506935","11.17","0.01","16.42","0.01","24.14","0.02","90","","90","","90","","4428","6","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N Si -","- C26 H31 N Si -","- C208 H248 N8 Si8 -","8","1","","Yagi, Kazunari; Shinokubo, Hiroshi; Oshima, Koichiro","Synthesis of silyl aziridines and alpha-amino acylsilanes with silyldibromomethyllithium.","Organic letters","2004","6","23","4339","4341","10.1021/ol048092a","","","0.7107","MoKα","","","0.054","","","","0.068","","","","","","1.168","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506942","8.8482","0.0005","17.6806","0.0011","29.5631","0.0019","90","","90","","90","","4624.9","0.5","223","2","223","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C33 H28 -","- C33 H28 -","- C264 H224 -","8","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and structure of a helical diindenophenanthrene with four congested phenyl substituents as a molecular spiral staircase.","Organic letters","2004","6","23","4355","4357","10.1021/ol0481434","","","0.71073","MoKα","","0.1468","0.0594","","","0.1224","0.1506","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506991","21.228","0.005","13.527","0.005","27.025","0.005","90","0.005","90","0.005","90","0.005","7760","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cl9 S Sb -","- C37 H42 Cl9 S Sb -","- C296 H336 Cl72 S8 Sb8 -","8","1","","Yamazaki, Daisuke; Nishinaga, Tohru; Komatsu, Koichi","Radical cation of dibenzothiophene fully annelated with bicyclo[2.2.2]octene units: X-ray crystal structure and electronic properties.","Organic letters","2004","6","23","4179","4182","10.1021/ol0483605","","","0.71069","MoKα","","0.0924","0.043","","","0.053","0.058","","","","","","0.858","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507023","6.75","0.004","16.542","0.01","20.635","0.012","90","","90","","90","","2304","2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C104 H104 Si8 -","4","0.5","","Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials.","Organic letters","2004","6","21","3707","3710","10.1021/ol0486932","","","0.7107","MoKα","","0.0638","0.0574","","","0.1533","0.1597","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507042","9.7408","0.0004","17.4668","0.0007","25.7256","0.0012","90","","90","","90","","4377","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4:15,16-dibenzo-5,8,11,14-tetraoxa-bicyclo[16.3.1]docosa-1(21),3,15,18(22),19-pentaen-22-ol","","- C26 H28 O5 -","- C26 H28 O5 -","- C208 H224 O40 -","8","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","Horning-crown macrocycles: novel hybrids of calixarenes and crown ethers.","Organic letters","2004","6","19","3261","3264","10.1021/ol048921s","","","0.71073","MoKα","","0.2851","0.067","","","0.0983","0.1496","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507095","10.646","0.004","18.82","0.01","40.113","0.015","90","","90","","90","","8037","6","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H53 N3 O4 S -","- C42 H53 N3 O4 S -","- C336 H424 N24 O32 S8 -","8","1","","Kim, Su Jeong; Jo, Moon-Gi; Lee, Jin Yong; Kim, Byeang Hyean","Hydrogen bonding patterns of calix[4]arenes with thiourea functionalities in solution and in the solid state.","Organic letters","2004","6","12","1963","1966","10.1021/ol049497y","","","0.71073","MoKα","","0.1238","0.0873","","","0.1992","0.2206","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507163","13.0955","0.0003","18.5015","0.0006","28.2301","0.0011","90","","90","","90","","6839.8","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 B F15 Si2 -","- C34 H22 B F15 Si2 -","- C272 H176 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0757","0.0453","","","0.0991","0.1171","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507164","12.8769","0.0003","18.9861","0.0004","29.5893","0.0009","90","","90","","90","","7234.1","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H26 B F15 Si2 -","- C36 H26 B F15 Si2 -","- C288 H208 B8 F120 Si16 -","8","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0607","0.0464","","","0.1118","0.1218","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507171","8.3435","0.0002","13.8536","0.0003","23.2107","0.0007","90","","90","","90","","2682.87","0.12","213","","213","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 O S -","- C16 H18 O S -","- C128 H144 O8 S8 -","8","1","","Arai, Noriyoshi; Tanaka, Koichiro; Ohkuma, Takeshi","Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives.","Organic letters","2012","14","6","1488","1491","10.1021/ol3002305","","","0.71075","MoKα","","","0.0394","","","","0.1242","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507241","14.036","0.001","16.258","0.001","17.012","0.001","90","","90","","90","","3882.1","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5","[1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane]copper(II) dichloride","","- C19 H20 Cl2 Cu N4 O -","- C19 H20 Cl2 Cu N4 O -","- C152 H160 Cl16 Cu8 N32 O8 -","8","1","","Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.","Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts","Macromolecules","2003","36","23","8584","","10.1021/ma034548c","","","0.71073","MoKα","","0.0845","0.0418","","","0.0966","0.1049","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507269","25.451","0.0001","13.456","0.0002","28.128","0.0004","90","","90","","90","","9633","0.2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H26 Co F15 N5 P -","- C57 H26 Co F15 N5 P -","- C456 H208 Co8 F120 N40 P8 -","8","1","","Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev","Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde.","Organic letters","2003","5","8","1241","1244","10.1021/ol0341142","","","0.71073","MoKα","","0.1135","0.0665","","","0.161","0.1854","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507328","12.4162","0.0003","7.6844","0.0002","26.1667","0.0006","90","","90","","90","","2496.59","0.11","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","","Pigge, F. Christopher; Coniglio, John J.; Rath, Nigam P.","Oxidative demetalation of cyclohexadienyl ruthenium(II) complexes: a net Ru-mediated dearomatization.","Organic letters","2003","5","11","2011","2014","10.1021/ol034646i","","","0.71073","MoKα","","0.1119","0.0664","","","0.1396","0.1605","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507333","16.252","0.007","15.611","0.007","20.917","0.009","90","","90","","90","","5307","4","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H24 -","- C38 H24 -","- C304 H192 -","8","1","","Deaton, Kimberly R.; Gin, Mary S.","Regioselective [2 + 2 + 2] cycloaddition of a nickel-benzyne complex with 1,3-diynes.","Organic letters","2003","5","14","2477","2480","10.1021/ol034720x","","","0.71073","MoKα","","0.0712","0.0438","","","0.1014","0.1108","","","","","","1.027","","","","has coordinates","287940","2023-12-01","17:20:57",""
"1507345","22.7324","0.0015","9.6336","0.0006","26.7417","0.0018","90","","90","","90","","5856.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,7,12,17-tetraethyl-3,6,13,16-tetrakis(trifluoromethyl)porphycene","","- C32 H26 F12 N4 -","- C32 H26 F12 N4 -","- C256 H208 F96 N32 -","8","1","","Hayashi, Takashi; Nakashima, Yuji; Ito, Kazuyuki; Ikegami, Takahiro; Aritome, Isao; Suzuki, Akihiro; Hisaeda, Yoshio","Synthesis, structure, and chemical property of the first fluorine-containing porphycene.","Organic letters","2003","5","16","2845","2848","10.1021/ol0348452","","","0.71073","MoKα","","0.0943","0.0723","","","0.1424","0.1522","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507368","12.774","0.007","10.955","0.004","25.097","0.009","90","","90","","90","","3512","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C152 H200 N8 O40 -","8","1","","Booker-Milburn, Kevin I; Jenkins, Helen; Charmant, Jonathan P. H.; Mohr, Peter","Synthesis of the reported structure of pogostol and a total aynthesis of (+/-)-kessane without the use of protecting groups.","Organic letters","2003","5","18","3309","3312","10.1021/ol035373u","","","0.71073","MoKα","","0.073","0.0473","","","0.092","0.1008","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507380","16.862","0.0002","11.0458","0.0001","16.9723","0.0002","90","","90","","90","","3161.16","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C136 H192 N16 O16 -","8","1","","Bon, Robin S.; Hong, Chongen; Bouma, Marinus J.; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Orru, Romano V. A.","Novel multicomponent reaction for the combinatorial synthesis of 2-imidazolines.","Organic letters","2003","5","20","3759","3762","10.1021/ol035521g","","","0.71073","MoKα","","0.0537","0.0386","","","0.0986","0.107","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507520","8.1348","0.0004","12.0317","0.0005","20.4322","0.0009","90","","90","","90","","1999.81","0.16","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Harmata, Michael; Rashatasakhon, Paitoon","A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol","Organic Letters","2001","3","16","2533","","10.1021/ol016200c","","","0.71073","MoKα","","0.0472","0.0398","","","0.1058","0.1118","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507536","43.138","0.013","9.07","0.002","8.544","0.002","90","","90","","90","","3342.9","1.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C136 H168 N8 O32 S8 -","8","1","","Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A.","1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations","Organic Letters","2001","3","21","3405","","10.1021/ol0166449","","","0.71069","MoKα","","0.139","0.078","","","0.221","0.2554","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507613","11.0852","0.0002","7.9804","0.0001","31.3518","0.0005","90","","90","","90","","2773.52","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 S -","- C14 H15 N O5 S -","- C112 H120 N8 O40 S8 -","8","1","","Grainger, Richard S.; Betou, Marie; Male, Louise; Pitak, Mateusz B.; Coles, Simon J.","Semipinacol Rearrangement of Cis-Fused β-Lactam Diols into Keto-Bridged Bicyclic Lactams.","Organic letters","2012","14","9","2234","2237","10.1021/ol300605y","","","1.54178","CuKα","","0.0285","0.0281","","","0.0752","0.0755","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507641","10.8222","0.0006","9.7805","0.0006","13.6084","0.0009","90","","90","","90","","1440.4","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C56 H48 Br8 N8 O8 -","8","1","","Zhang, Chun; Xu, Zejun; Shen, Tao; Wu, Guolin; Zhang, Liangren; Jiao, Ning","Mn-promoted Aerobic Oxidative C-C Bond Cleavage of Aldehydes with Dioxygen Activation: A Simple Synthetic Approach to Formamides.","Organic letters","2012","14","9","2362","2365","10.1021/ol300781s","","","0.71073","MoKα","","0.0346","0.0291","","","0.0783","0.0835","","","","","","1.113","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507644","8.28074","0.00015","10.78047","0.00019","41.173","0.0008","90","","90","","90","","3675.52","0.12","93.1","","93","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C176 H176 O40 -","8","1","","Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio","Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates.","Organic letters","2012","14","9","2410","2413","10.1021/ol300852v","","","1.54187","CuKα","","","0.0621","","","","0.144","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507689","15.4372","0.0006","18.7975","0.0008","21.1721","0.0008","90","","90","","90","","6143.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H44 B N5 O -","- C32 H44 B N5 O -","- C256 H352 B8 N40 O8 -","8","1","","Merling, Everett; Lamm, Vladimir; Geib, Steven J.; Lacôte, Emmanuel; Curran, Dennis P.","[3 + 2]-dipolar cycloaddition reactions of an N-heterocyclic carbene boryl azide.","Organic letters","2012","14","11","2690","2693","10.1021/ol300851m","","","1.54178","CuKα","","0.0597","0.0527","","","0.1719","0.1765","","","","","","1.822","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507733","10.132","0.0012","15.1023","0.0017","28.17","0.003","90","","90","","90","","4310.5","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H33 N3 O2 -","- C24 H33 N3 O2 -","- C192 H264 N24 O16 -","8","1","","Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami","Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization.","Organic letters","2012","14","10","2638","2641","10.1021/ol301033r","","","0.71073","MoKα","","0.0831","0.0508","","","0.1277","0.1451","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507887","12.321","0.004","14.075","0.005","23.143","0.008","90","","90","","90","","4013","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N2 O4 -","- C21 H25 N2 O4 -","- C168 H200 N16 O32 -","8","1","","Li, Liang; Zhao, Mi-Na; Ren, Zhi-Hui; Li, Jian-Li; Guan, Zheng-Hui","Cu(OAc)2/TFA-promoted formal [3 + 3] cycloaddition/oxidation of enamines and enones for synthesis of multisubstituted aromatic amines.","Organic letters","2012","14","13","3506","3509","10.1021/ol3014733","","","0.71073","MoKα","","0.1055","0.0568","","","0.1313","0.1583","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507889","13.4194","0.0012","11.6002","0.001","26.589","0.002","90","","90","","90","","4139","0.6","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H22 Br N O3 S -","- C23 H22 Br N O3 S -","- C184 H176 Br8 N8 O24 S8 -","8","1","","Yin, Qin; You, Shu-Li","Intramolecular alkene electrophilic bromination initiated ipso-bromocyclization for the synthesis of functionalized azaspirocyclohexadienones.","Organic letters","2012","14","13","3526","3529","10.1021/ol301531z","","","0.71073","MoKα","","0.0427","0.0294","","","0.0728","0.0798","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508046","16.0034","0.0012","17.018","0.0013","26.118","0.002","90","","90","","90","","7113.1","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1b","","","- C37 H57 Fe P3 Si -","- C37 H57 Fe P3 Si -","- C296 H456 Fe8 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0601","0.0379","","","0.0913","0.107","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508047","26.3222","0.0003","19.5893","0.0002","27.3174","0.0003","90","","90","","90","","14085.8","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","3","","","- C68 H66 B F24 Fe N2 P3 Si -","- C68 H66 B F24 Fe N2 P3 Si -","- C544 H528 B8 F192 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.051","0.0413","","","0.1013","0.1071","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508048","16.085","0.003","17.133","0.003","25.58","0.005","90","","90","","90","","7049","2","100","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4b","","","- C36 H54 Fe N2 P3 Si -","- C36 H54 Fe N2 P3 Si -","- C288 H432 Fe8 N16 P24 Si8 -","8","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","0.71073","MoKα","","0.0566","0.037","","","0.0841","0.0957","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508220","13.1161","0.0004","13.6814","0.0005","24.0413","0.0008","90","","90","","90","","4314.1","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cu N3 Na O5 S -","- C20 H22 Cu N3 Na O5 S -","- C160 H176 Cu8 N24 Na8 O40 S8 -","8","1","","Bhowmika, Prasanta; Janaa, Subrata; Janab, Partha Pratim; Harmsb, Klaus; Chattopadhyay, Shouvik","Anion mediated diversity in the H-bonded assembly of a series of heteronuclear copper(II)/sodium(I) compounds","Inorganica Chimica Acta","2012","390","","53","60","10.1016/j.ica.2012.03.044","","","0.71073","MoKα","","0.0755","0.0408","","","0.0569","0.0637","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508427","5.9696","0.0001","16.7493","0.0004","19.0799","0.0004","90","","90","","90","","1907.73","0.07","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N7 -","- C7 H15 N7 -","- C56 H120 N56 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0491","0.0411","","","0.1081","0.1122","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508624","15.5606","0.0007","9.0491","0.0003","20.4783","0.0007","90","","90","","90","","2883.54","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Nair, Divya K.; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis of imidazopyridines from the Morita-Baylis-Hillman acetates of nitroalkenes and convenient access to Alpidem and Zolpidem.","Organic letters","2012","14","17","4580","4583","10.1021/ol3020418","","","0.71073","MoKα","","0.0689","0.0514","","","0.1389","0.154","","","","","","1.096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508643","9.42","0.0015","22.286","0.004","21.009","0.005","90","","90","","90","","4410.5","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","benzothia_BPh2","","","- C27 H20 B N O S -","- C27 H20 B N O S -","- C216 H160 B8 N8 O8 S8 -","8","1","","Kubota, Yasuhiro; Tanaka, Syunki; Funabiki, Kazumasa; Matsui, Masaki","Synthesis and fluorescence properties of thiazole-boron complexes bearing a β-ketoiminate ligand.","Organic letters","2012","14","17","4682","4685","10.1021/ol302179r","","","0.71075","MoKα","","0.0828","0.0591","","","0.1378","0.1533","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508663","11.0313","0.0003","9.5234","0.0002","31.3481","0.0008","90","","90","","90","","3293.29","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 F N2 O4 -","- C19 H15 F N2 O4 -","- C152 H120 F8 N16 O32 -","8","1","","Smith, Donna L.; Chidipudi, Suresh Reddy; Goundry, William R.; Lam, Hon Wai","Rhodium-catalyzed [2 + 2] cycloaddition of ynamides with nitroalkenes.","Organic letters","2012","14","18","4934","4937","10.1021/ol302259v","","","1.54178","CuKα","","0.0438","0.0376","","","0.0924","0.0974","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508683","9.3","0.04","18.67","0.08","19.8","0.04","90","","90","","90","","3438","2","239.05","0.1","239.05","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","1","","Yang, Ming; Wang, Lin; He, Zheng-He; Wang, Shao-Hua; Zhang, Shu-Yu; Tu, Yong-Qiang; Zhang, Fu-Min","Tandem semipinacol-type 1,2-carbon migration/aldol reaction toward the construction of [5-6-7] all-carbon tricyclic core of Calyciphylline A-type alkaloids.","Organic letters","2012","14","19","5114","5117","10.1021/ol302386g","","","0.7107","MoKα","","0.0839","0.0562","","","0.1334","0.153","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508686","11.4136","0.0011","11.557","0.0012","28.331","0.003","90","","90","","90","","3737.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cl N2 O5 S -","- C17 H23 Cl N2 O5 S -","- C136 H184 Cl8 N16 O40 S8 -","8","1","","Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung","Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.","Organic letters","2012","14","20","5250","5253","10.1021/ol3024105","","","0.71073","MoKα","","0.0503","0.0418","","","0.1005","0.1052","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508753","20.4027","0.0019","7.1468","0.0007","22.129","0.002","90","","90","","90","","3226.7","0.5","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C144 H168 N8 O24 S8 -","8","1","","Yuan, Wei; Dong, Xiang; Shi, Min; McDowell, Patrick; Li, Guigen","Rh(I)-catalyzed Pauson-Khand-type cycloaddition reaction of ene-vinylidenecyclopropanes with carbon monoxide (CO).","Organic letters","2012","14","21","5582","5585","10.1021/ol302705z","","","0.71073","MoKα","","0.0502","0.0403","","","0.1066","0.1141","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508870","19.1983","0.0008","10.9762","0.0005","23.4467","0.001","90","","90","","90","","4940.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C216 H264 N8 O56 -","8","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0671","0.042","","","0.101","0.1154","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508884","7.861","0.019","9.93","0.02","42.05","0.1","90","","90","","90","","3282","13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C128 H136 N8 O16 S16 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0799","0.055","","","0.1234","0.1341","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508885","8.132","0.005","12.907","0.007","23.129","0.013","90","","90","","90","","2428","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0704","0.0467","","","0.1132","0.1264","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508902","7.5741","0.0003","13.7438","0.0005","21.7946","0.0007","90","","90","","90","","2268.75","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C96 H80 N32 O8 -","8","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0567","0.0446","","","0.1187","0.1285","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508958","11.06","0.003","18.268","0.005","21.576","0.006","90","","90","","90","","4359","2","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O2 P S -","- C26 H24 N O2 P S -","- C208 H192 N8 O16 P8 S8 -","8","1","","Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi","Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s.","Organic letters","2013","15","4","932","935","10.1021/ol4000982","","","0.7107","MoKα","","0.0704","0.0568","","","0.1424","0.1516","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1509291","7.5","","15.751","","5.702","","90","","90","","90","","673.592","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag Cu (P O4)","","- Ag Cu O4 P -","- Ag Cu O4 P -","- Ag8 Cu8 O32 P8 -","8","1","","Oumba, M.T.; Quarton, M.","Proprietes de l'ion Cu2+ dans la structure de Ag Cu P O4 - beta","Materials Research Bulletin","1983","18","","967","974","10.1016/0025-5408(83)90008-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509320","5.073","","5.529","","5.813","","90","","90","","90","","163.047","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ag F2 -","- Ag F2 -","- Ag4 F8 -","4","0.5","","Fischer, P.; Schwarzenbach, D.; Rietveld, H.M.","Crystal and magnetic structure of silver difluoride. I. Determination of the Ag F2 structure","Journal of Physics and Chemistry of Solids","1971","32","","543","550","10.1016/0022-3697(71)90003-5","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509321","5.568","","5.831","","5.101","","90","","90","","90","","165.614","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ag F2 -","- Ag F2 -","- Ag4 F8 -","4","0.5","","Mueller, B.G.; Hoppe, R.; Zemva, B.; Jesih, A.; Lutar, K.; Becker, S.; Bachmann, B.","Einkristalluntersuchungen an Ag F2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","588","","77","83","10.1002/zaac.19905880110","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509346","12.169","","22.484","","7.473","","90","","90","","90","","2044.67","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag Ga (P2 Se6)","","- Ag Ga P2 Se6 -","- Ag Ga P2 Se6 -","- Ag8 Ga8 P16 Se48 -","8","1","","Pfeiff, R.; Kniep, R.","Quaternary selenodiphosphates(IV):M(I)M(III)(P2Se6), (M(I)=Cu,Ag;M(III)=Cr,Al,Ga,In)","Journal of Alloys Compd.","1992","186","","111","133","10.1016/0925-8388(92)90626-K","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509468","6.995","","7.328","","10.118","","90","","90","","90","","518.642","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ag (N O3)","","- Ag N O3 -","- Ag N O3 -","- Ag8 N8 O24 -","8","1","","Trotter, J.; Gibbons, C.S.","Crystal structure of exo-tricyclo(3.2.1.02,4)oct-6-ene-silver nitrate, and a refinement of the silver nitrate structure","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1971","1971","","2058","2062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509622","16.5328","","10.6286","","10.5452","","90","","90","","90","","1853.01","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K Ag11 (V O4)4","","- Ag11 K O16 V4 -","- Ag11 K O16 V4 -","- Ag44 K4 O64 V16 -","4","0.5","","Jansen, M.; Kovalevskiy, A.","Synthesis and crystal structure analysis of K Ag11 (V O4)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2006","632","","413","436","10.1002/zaac.200500411","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510264","8.549","","8.249","","10.011","","90","","90","","90","","705.983","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Au (S O4)","","- Au O4 S -","- Au O4 S -","- Au8 O32 S8 -","8","1","","Wickleder, M.S.","Au S O4 : a true gold(II) sulfate with Au2(4+) ion","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2112","2114","10.1002/1521-3749(200109)627:9<2112::AID-ZAAC2112>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510306","6.909","","7.037","","11.789","","90","","90","","90","","573.165","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Au Sn2 -","- Au Sn2 -","- Au8 Sn16 -","8","1","","Schubert, K.; Gohle, R.; Breimer, H.","Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon","Zeitschrift fuer Metallkunde","1959","50","","146","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510484","20.742","","18.036","","6.665","","90","","90","","90","","2493.4","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Au3 Ca7 -","- Au3 Ca7 -","- Au24 Ca56 -","8","1","","Fornasini, M.L.; Merlo, F.","Ca7 Au3 and Ca5 Au4, two structures closely related to the Th7 Fe3 and Pu5 Rh4 types","Journal of Solid State Chemistry","1985","59","","65","70","10.1016/0022-4596(85)90351-2","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510986","11.9","","6.281","","7.69","","90","","90","","90","","574.781","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- B2 Cl4 -","- B2 Cl4 -","- B8 Cl16 -","4","0.5","","Atoji, M.; Wheatley, P.J.; Lipscomb, W.N.","Molecular Structure of Diborane Tetrachloride, B2 Cl4","Journal of Chemical Physics","1955","23","","1176","1176","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511036","9.9007","","7.2036","","23.292","","90","","90","","90","","1661.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce3 (B Si O6) (Si O4)","","- B Ce3 O10 Si2 -","- B Ce3 O10 Si2 -","- B8 Ce24 O80 Si16 -","8","1","","Grossholz, H.; Mueller-Bunz, H.; Schleid, T.","Einkristalle des Cer(III)-Borosilicats Ce3 (B Si O6) (Si O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1436","1438","10.1002/1521-3749(200107)627:7<1436::AID-ZAAC1436>3.0.CO;2-#","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511039","6.6139","","9.766","","10.6","","90","","90","","90","","684.668","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Mg2 (B N2) Cl","","- B Cl Mg2 N2 -","- B Cl Mg2 N2 -","- B8 Cl8 Mg16 N16 -","8","1","","Somer, M.; Cardoso Gil, R.; Borrmann, H.; Kuetuekcue, M.N.; Carillo-Cabrera, W.","Mg2 (B N2) Cl and Mg8 (B N2)5 I: Novel magnesium nitridoborate halides - syntheses, crystal structures and vibrational spectra","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1015","1021","10.1002/zaac.200400055","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511168","9.63","","6.959","","22.792","","90","","90","","90","","1527.41","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gd3 (B Si O6) (Si O4)","","- B Gd3 O10 Si2 -","- B Gd3 O10 Si2 -","- B8 Gd24 O80 Si16 -","8","1","","Chen, H.-Y.; Zhuang, H.-H.; Huang Jinshun; Lin, X.; Chi Lisheng","Synthesis and crystal structure of Gd3 (B Si O6) (Si O4)","Jiegon Huaxue","1998","17","","297","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511177","9.845","","7.146","","23.382","","90","","90","","90","","1644.98","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nd3 (B Ge1.08 Si0.92 O10)","","- B Ge1.08 Nd3 O10 Si0.92 -","- B Ge1.08 Nd3 O10 Si0.92 -","- B8 Ge8.64 Nd24 O80 Si7.36 -","8","1","","Serhan, K.; Darriet, J.; Taibi, M.; Aride, J.; le Flem, G.; Boukhari, A.","The crystal structure of a new borogermanosilicate Nd3BGe1.08Si0.92O10","Journal of Solid State Chemistry","1994","110","","384","388","10.1006/jssc.1994.1183","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511464","13.227","","6.1675","","6.062","","90","","90","","90","","494.523","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li Ca (B O3)","","- B Ca Li O3 -","- B Ca Li O3 -","- B8 Ca8 Li8 O24 -","8","1","","Xu, Y.P.; He, M.; Li, X.Z.; Dai, L.; Wu, L.; Li, H.; Chen, X.L.","Structure determination of a new compound Li Ca B O3","Journal of Solid State Chemistry","2004","177","","1111","1116","10.1016/j.jssc.2003.10.018","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511482","8.62354","","14.0071","","8.07237","","90","","90","","90","","975.068","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mn B4 O7","","- B4 Mn O7 -","- B4 Mn O7 -","- B32 Mn8 O56 -","8","1","","Bernstein, J.L.; Sherwood, R.C.; Gibart, P.; Abrahams, S.C.","Manganese diborate. Crystal structure, magnetization, and thermal extinction dependence","Journal of Chemical Physics","1974","60","","1899","1905","10.1063/1.1681292","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511539","8.697","","8.431","","21.41","","90","","90","","90","","1569.88","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs (B5 O8)","","- B5 Cs O8 -","- B5 Cs O8 -","- B40 Cs8 O64 -","8","1","","Touboul, M.; Nowogrocki, G.; Seguin, L.; Penin, N.","Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8))","Journal of Solid State Chemistry","2001","161","","205","213","10.1006/jssc.2001.9297","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511545","17.588","","9.001","","9.477","","90","","90","","90","","1500.3","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ho2 Ni10 B5","","- B5 Ho2 Ni10 -","- B5 Ho2 Ni10 -","- B40 Ho16 Ni80 -","8","1","","Zavalii, P.Yu.; Bruskov, V.A.; Kuz'ma, Yu.B.; Gubich, I.B.","A new type of Ho2Ni10B5 boride structure","Kristallografiya","1991","36","","490","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511550","7.838","","12.288","","18.18","","90","","90","","90","","1750.98","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 Mg (B5 O10)","","- B5 Mg Na3 O10 -","- B5 Mg Na3 O10 -","- B40 Mg8 Na24 O80 -","8","1","","Xiao Weiqiang; Zang Hegui; Li Ming; Chang Xinan; Zuo Jianlong; Chen Xuean","Syntheses and crystal structures of two pentaborates, Na3 Ca B5 O10 and Na3 Mg B5 O10","Solid State Sciences","2007","9","","678","685","10.1016/j.solidstatesciences.2007.05.013","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511554","7.553","","11.857","","14.813","","90","","90","","90","","1326.59","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb (B5 O8)","","- B5 O8 Rb -","- B5 O8 Rb -","- B40 O64 Rb8 -","8","1","","Seguin, L.; Touboul, M.; Penin, N.; Nowogrocki, G.","Crystal structures of three M B5 O8 (M = Cs, Rb) borates (alpha-(Cs B5 O8), gamma-(Cs B5 O8) and beta-(Rb B5 O8))","Journal of Solid State Chemistry","2001","161","","205","213","10.1006/jssc.2001.9297","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511654","8.1189","","8.621","","13.737","","90","","90","","90","","961.494","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Co (B4 O7)","","- B4 Co O7 -","- B4 Co O7 -","- B32 Co8 O56 -","8","1","","Taylor, N.J.; Rowsell, J.L.C.; Nazar, L.F.","Crystallographic investigation of the Co - B - O system","Journal of Solid State Chemistry","2003","174","","189","197","10.1016/S0022-4596(03)00217-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511830","9.676","0.002","16.2","0.007","9.8866","0.0019","90","","90","","90","","1549.7","0.8","296","2","296","2","50000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2142","0.1421","","","0.329","0.3704","","","","","","1.297","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511831","9.66","0.004","16.126","0.006","9.753","0.004","90","","90","","90","","1519.3","1.1","296","2","296","2","190000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.1749","0.1226","","","0.278","0.3054","","","","","","1.38","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511832","9.676","0.002","16.179","0.011","9.627","0.003","90","","90","","90","","1507.1","1.2","296","2","296","2","330000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2108","0.2046","","","0.3718","0.3743","","","","","","1.398","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511833","9.634","0.005","16.132","0.007","9.466","0.004","90","","90","","90","","1471.2","1.2","296","2","296","2","480000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.263","0.2416","","","0.3427","0.3543","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511834","9.637","0.002","16.135","0.008","9.365","0.002","90","","90","","90","","1456.2","0.8","296","2","296","2","650000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2116","0.1374","","","0.2624","0.2908","","","","","","1.403","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511865","17.444","0.004","8.121","0.002","26.134","0.007","90","","90","","90","","3702.2","1.6","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C184 H192 O16 -","8","1","","Xie, Xiaocong; Li, Yi; Fox, Joseph M.","Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements","Organic Letters","2013","15","7","1500","","10.1021/ol400264a","","","0.71073","MoKα","","0.1059","0.0494","","","0.0882","0.1081","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511881","9.652","0.0011","14.2244","0.0015","20.858","0.003","90","","90","","90","","2863.7","0.6","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O -","- C22 H14 O -","- C176 H112 O8 -","8","1","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71075","MoKα","","","0.0449","","","","0.1215","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511888","9.5282","0.0005","21.6974","0.001","26.3399","0.0013","90","","90","","90","","5445.4","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","QY0629","Doyle/Qian QY0629","","- C27 H33 Br N2 O4 S -","- C27 H33 Br N2 O4 S -","- C216 H264 Br8 N16 O32 S8 -","8","1","","Qian, Yu; Zavalij, Peter J.; Hu, Wenhao; Doyle, Michael P.","Bicyclic Pyrazolidinone Derivatives from Diastereoselective Catalytic [3 + 3]-Cycloaddition Reactions of Enoldiazoacetates with Azomethine Imines","Organic Letters","2013","15","7","1564","","10.1021/ol400339c","","","0.71073","MoKα","","0.0548","0.0378","","","0.0801","0.0843","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511931","16.283","0.008","10.98","0.006","19.477","0.01","90","","90","","90","","3482","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N5 -","- C22 H15 N5 -","- C176 H120 N40 -","8","1","","Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun","Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines.","Organic letters","2013","15","8","1954","1957","10.1021/ol400606c","","","0.7107","MoKα","","0.1567","0.1081","","","0.2684","0.3309","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511936","11.8949","0.0007","8.9065","0.0005","28.0405","0.0016","90","","90","","90","","2970.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0384","0.0379","","","0.0897","0.0902","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511937","16.3661","0.0006","6.7959","0.0002","33.9544","0.0012","90","","90","","90","","3776.5","0.2","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Cl F3 N3 O -","- C7 H7 Cl F3 N3 O -","- C112 H112 Cl16 F48 N48 O16 -","16","2","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","1.54178","CuKα","","0.0368","0.03","","","0.0723","0.076","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511958","7.8204","0.0014","14.892","0.003","23.179","0.004","90","","90","","90","","2699.5","0.9","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 B F4 N2 -","- C13 H17 B F4 N2 -","- C104 H136 B8 F32 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.1081","0.0578","","","0.1173","0.14","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511959","7.4246","0.0004","15.5642","0.001","21.89","0.0014","90","","90","","90","","2529.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Br N2 -","- C13 H17 Br N2 -","- C104 H136 Br8 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.0641","0.0374","","","0.0846","0.0977","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512038","14.7579","0.0002","10.3799","0.0002","22.7275","0.0004","90","","90","","90","","3481.52","0.1","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C176 H128 N32 O16 -","16","2","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0547","0.0356","","0.0903","0.0809","0.0903","","","","","","0.9785","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512040","13.8283","0.0006","7.4374","0.0002","24.5877","0.0009","90","","90","","90","","2528.76","0.16","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0784","0.0459","","0.1055","0.0935","0.1055","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512103","18.1208","0.0008","7.9048","0.0004","27.8786","0.0014","90","","90","","90","","3993.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C200 H160 N16 O24 -","8","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0683","0.0463","","","0.1097","0.1238","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512113","11.6161","0.0003","8.1844","0.0002","31.4284","0.0008","90","","90","","90","","2987.92","0.13","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0804","0.0502","","","0.1355","0.1678","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512130","7.707","0.003","13.875","0.005","23.418","0.008","90","","90","","90","","2504.2","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Coumarin 343","11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott","Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B","The Journal of Physical Chemistry C","2013","117","27","14130","","10.1021/jp400614e","","","0.71073","MoKα","","0.0826","0.0694","","","0.172","0.1873","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512137","6.9752","0.0012","21.458","0.003","24.8","0.004","90","","90","","90","","3711.9","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,10-bis(trimethylsilyl)-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-on","","- C15 H20 O S2 Si2 -","- C15 H20 O S2 Si2 -","- C120 H160 O8 S16 Si16 -","8","1","","Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran","Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes","The Journal of Physical Chemistry C","2013","117","33","16759","","10.1021/jp4033029","","","0.71073","MoKα","","0.1201","0.0551","","","0.0955","0.1175","","","","","","1.029","","","","has coordinates","264558","2021-04-26","21:52:53",""
"1512216","9.1775","0.0001","16.572","0.0003","33.404","0.002","90","","90","","90","","5080.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C240 H216 N8 O32 -","8","1","","Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela","Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations.","Organic letters","2013","15","15","4002","4005","10.1021/ol401798w","","","1.54187","CuKα","","0.0563","0.0451","","","0.1177","0.1381","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512222","16.173","0.004","11.469","0.002","17.766","0.003","90","","90","","90","","3295.4","1.1","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C128 H112 Cl16 N16 O16 -","8","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.1475","0.0548","","","0.1184","0.1515","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512236","10.2819","0.0004","14.7015","0.0006","19.599","0.0008","90","","90","","90","","2962.6","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pd -","- C18 H24 Pd -","- C144 H192 Pd8 -","8","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0209","0.0178","","","0.0453","0.0469","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512256","8.6335","0.0002","14.1307","0.0003","21.2871","0.0005","90","","90","","90","","2596.97","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C96 H120 N24 O8 S8 -","8","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0666","0.0527","","0.0791","0.0505","0.0455","","","","","","1.0748","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512258","9.4374","0.0003","13.0463","0.0004","22.2127","0.0006","90","","90","","90","","2734.9","0.14","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl N3 O S -","- C12 H14 Cl N3 O S -","- C96 H112 Cl8 N24 O8 S8 -","8","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0548","0.0491","","0.066","0.0531","0.0511","","","","","","1.0895","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512288","9.8323","0.0009","27.722","0.003","29.449","0.003","90","","90","","90","","8026.9","1.4","191","2","191","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H10 N2 O S2 -","- C75 H10 N2 O S2 -","- C600 H80 N16 O8 S16 -","8","1","","Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang","Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE","Organic Letters","2013","15","18","4646","","10.1021/ol401834j","","","0.71073","MoKα","","0.1386","0.0888","","","0.2367","0.2908","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512354","11.3182","0.0009","15.2662","0.0012","16.9741","0.0013","90","","90","","90","","2932.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0461","0.0388","","","0.1105","0.1195","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512356","12.358","0.0005","11.8372","0.0005","22.9929","0.0012","90","","90","","90","","3363.5","0.3","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0903","0.0517","","","0.1092","0.1284","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512372","7.8897","0.0009","20.511","0.003","21.318","0.003","90","","90","","90","","3449.8","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C176 H128 Cl8 N8 O8 -","8","1","","Bhunia, Anup; Porwal, Digvijay; Gonnade, Rajesh G.; Biju, Akkattu T.","Multicomponent reactions involving arynes, quinolines, and aldehydes.","Organic letters","2013","15","17","4620","4623","10.1021/ol4023134","","","0.71073","MoKα","","0.093","0.0473","","","0.1324","0.1626","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512402","14.939","0.005","23.406","0.005","34.243","0.005","90","0.005","90","0.005","90","0.005","11973","5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H60 Cu6 N8 O50 Si W12 -","- C64 H56 Cu6 N8 O50 Si W12 -","- C256 H224 Cu24 N32 O200 Si4 W48 -","4","0.5","","Xing Meng; Hai-Ning Wang; Xin-Long Wang; Guang-Sheng Yang; Shuang Wang; Kui-Zhan Shao; Zhong-Min Su","Construction and property investigation of inorganic-organic hybrid materials based on metal-salens and Keggin polyoxometalates","Inorganica Chimica Acta","2012","390","","135","142","10.1016/j.ica.2012.04.011","","","0.71069","MoKα","","0.119","0.0692","","","0.1853","0.2084","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512417","9.7943","0.0006","17.285","0.0016","17.4952","0.0005","90","","90","","90","","2961.8","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Fe O3 -","- C19 H16 Fe O3 -","- C152 H128 Fe8 O24 -","8","1","","Salvador Celedona; Mauricio Fuentealbab; Thierry Roisnelc; Jean-Rene Hamonc; David Carrilloa; Carolina Manzura","Stepwise construction of a 4-hydroxyphenyl functionalized O,N,N-tridentate ferrocene-containing enaminone: Spectral, analytical and structural studies","Inorganica Chimica Acta","2012","390","","184","189","10.1016/j.ica.2012.04.028","","","0.7107","MoKα","","0.0411","0.0312","","","0.0679","0.0724","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512429","17.4754","0.0017","12.7417","0.0012","18.2221","0.0017","90","","90","","90","","4057.4","0.7","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N4 Ni O5 -","- C22 H16 N4 Ni O5 -","- C176 H128 N32 Ni8 O40 -","8","1","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.71073","MoKα","","0.088","0.0419","","","0.0896","0.101","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512430","17.5759","0.0005","13.2778","0.0004","18.1001","0.0005","90","","90","","90","","4224","0.2","291.15","","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Mn N4 O5 -","- C22 H16 Mn N4 O5 -","- C176 H128 Mn8 N32 O40 -","8","1","","Xinjiang Caoa; Ying Liua; Luying Wangb; Gang Li","Assembly of five metal-organic frameworks based on 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate","Inorganica Chimica Acta","2012","392","","16","24","10.1016/j.ica.2012.05.042","","","0.7107","MoKα","","0.0711","0.0442","","","0.0957","0.1088","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512441","15.5","0.002","8.5536","0.0012","25.822","0.003","90","","90","","90","","3423.5","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Ag2 N4 O12 S2 -","- C28 H38 Ag2 N4 O12 S2 -","- C112 H152 Ag8 N16 O48 S8 -","4","0.5","","Yue Zhao; Ling-Ling Zhai; Gao-Chao Lv; Xin Zhou; Wei-Yin Sun","Silver(I) complexes with oxazoline-containing bidentate ligands: Syntheses, structures and properties","Inorganica Chimica Acta","2012","392","","38","45","10.1016/j.ica.2012.06.035","","","0.71073","MoKα","","0.1057","0.0996","","","0.3088","0.3135","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512448","9.4018","0.0002","18.2059","0.0004","25.6928","0.0006","90","","90","","90","","4397.79","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 F12 N5 P2 -","- C15 H19 F12 N5 P2 -","- C120 H152 F96 N40 P16 -","8","1","","Srinivasa Budagumpi; Rosenani A. Haque; Abbas Washeel Salman; Mohammed Z. Ghdhayeb","Mercury(II)- and silver(I)-N-heterocyclic carbene complexes of CNC pincer-type ligands: Synthesis, crystal structures and Hofmann-type elimination studies","Inorganica Chimica Acta","2012","392","","61","72","10.1016/j.ica.2012.06.044","","","0.71073","MoKα","","0.0663","0.0422","","","0.0894","0.0991","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512647","7.8449","0.001","12.6638","0.0016","24.194","0.003","90","","90","","90","","2403.6","0.5","98","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd1.5 N11 O -","- C6 H6 Cd1.5 N11 O -","- C48 H48 Cd12 N88 O8 -","8","1","","Kari Darling; Wayne Ouellette; Steven Pellizzeri; Tiffany Smith; Jose Vargas; Steven Tomaszfski; Charles J. O-Connor; Jon Zubieta","One- and two-dimensional coordination polymers of substituted tetrazoles with cadmium(II)","Inorganica Chimica Acta","2012","392","","417","427","10.1016/j.ica.2012.05.019","","","0.71073","MoKα","","0.0174","0.0155","","","0.0407","0.0419","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512657","12.01","0.004","5.795","0.002","12.677","0.004","90","","90","","90","","882.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B2 Cd O5 Sr -","- B2 Cd O5 Sr -","- B16 Cd8 O40 Sr8 -","8","1","","Jian Cao; Junyu Gao; Shilie Pan; Hongwei Yu; Wenwu Zhao; Zhihua Yang","Synthesis, crystal structure and properties of a new strontium cadmium diborate","Inorganica Chimica Acta","2012","392","","459","464","10.1016/j.ica.2012.03.012","","","0.71073","MoKα","","0.03","0.0256","","","0.0727","0.0758","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512658","13.424","0.002","22.054","0.004","47.809","0.008","90","","90","","90","","14154","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H33 Cl2 Cu N10 O8.5 -","- C30 H33 Cl2 Cu N10 O8.5 -","- C480 H528 Cl32 Cu16 N160 O136 -","16","2","","Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang","A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions","Inorganica Chimica Acta","2012","392","","465","468","10.1016/j.ica.2012.03.052","","","0.71073","MoKα","","0.1401","0.0604","","","0.1631","0.1861","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512664","10.836","0.004","21.63","0.008","23.468","0.008","90","","90","","90","","5500","3","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Br Cl N2 P -","- C32 H27 Br Cl N2 P -","- C256 H216 Br8 Cl8 N16 P8 -","8","1","","Ian Mallov; Heather Spinney; Titel Jurca; Serge Gorelsky; Tara Burchell; Darrin Richeson","The 2,2'-diindolylmethane dianion supporting scaffold for group 15 compounds","Inorganica Chimica Acta","2012","392","","5","9","10.1016/j.ica.2012.06.019","","","0.71073","MoKα","","0.1001","0.056","","","0.1224","0.138","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512680","15.0967","0.0005","15.7021","0.0005","16.8468","0.0006","90","","90","","90","","3993.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cl Cu N3 O5 -","- C16 H26 Cl Cu N3 O5 -","- C128 H208 Cl8 Cu8 N24 O40 -","8","1","","Hamid Golchoubian; Ehsan Rezaee; Giuseppeh Bruno; Hadi Amiri Rudbari","Syntheses of mixed chelate copper(II) complexes containing beta-ketoaminato and diamine ligands: Solvatochromism study","Inorganica Chimica Acta","2012","393","","1","9","10.1016/j.ica.2012.07.022","","","0.71073","MoKα","","0.0404","0.0331","","","0.0892","0.1061","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512705","7.8485","0.0015","9.915","0.0018","38.212","0.007","90","","90","","90","","2973.6","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 N O Pd Se -","- C12 H17 Cl2 N O Pd Se -","- C96 H136 Cl16 N8 O8 Pd8 Se8 -","8","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0439","0.0374","","","0.0838","0.0862","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512707","7.739","0.0019","9.812","0.002","37.95","0.009","90","","90","","90","","2881.7","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Cl2 N O Pd S -","- C12 H17 Cl2 N O Pd S -","- C96 H136 Cl16 N8 O8 Pd8 S8 -","8","1","","Pradhumn Singh; Dipanwita Das; Om Prakash; Ajai K. Singh","Synthesis and structural chemistry of N-{2-(arylthio/seleno) ethyl}morpholine/piperidine-palladium(II) complexes as potent catalysts for the Heck reaction","Inorganica Chimica Acta","2012","393","","77","84","","","","0.71073","MoKα","","0.0376","0.0343","","","0.0853","0.0871","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512746","15.9769","0.0019","18.674","0.002","27.258","0.003","90","","90","","90","","8132.5","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H57 N3 O2 Sr -","- C43 H57 N3 O2 Sr -","- C344 H456 N24 O16 Sr8 -","8","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.1199","0.047","","","0.1132","0.1573","","","","","","0.838","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512781","6.9683","0.0008","14.1302","0.0016","22.426","0.003","90","","90","","90","","2208.1","0.5","98","2","98","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Co3 N10 O12 P2 -","- C12 H18 Co3 N10 O12 P2 -","- C48 H72 Co12 N40 O48 P8 -","4","0.5","","Kari Darling; Jon Zubieta","Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system","Inorganica Chimica Acta","2013","394","","512","518","10.1016/j.ica.2012.08.030","","","0.71073","MoKα","","0.0373","0.0302","","","0.0762","0.0824","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512798","11.22","0.003","16.927","0.004","30.679","0.008","90","","90","","90","","5827","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 N4 P Ru S -","- C29 H27 Cl2 N4 P Ru S -","- C232 H216 Cl16 N32 P8 Ru8 S8 -","8","1","","Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal","Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole","Inorganica Chimica Acta","2013","394","","583","590","10.1016/j.ica.2012.09.011","","","0.71073","MoKα","","0.084","0.0568","","","0.109","0.1217","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512799","11.3207","0.0002","17.7526","0.0004","30.2606","0.0006","90","","90","","90","","6081.5","0.2","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 I2 N4 P Ru S -","- C29 H27 I2 N4 P Ru S -","- C232 H216 I16 N32 P8 Ru8 S8 -","8","1","","Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal","Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole","Inorganica Chimica Acta","2013","394","","583","590","10.1016/j.ica.2012.09.011","","","0.71073","MoKα","","0.0817","0.0621","","","0.1633","0.1787","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512843","16.524","0.004","7.958","0.002","21.913","0.004","90","","90","","90","","2881.5","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cl2 Cu2 N8 O6 -","- C26 H22 Cl2 Cu2 N8 O6 -","- C104 H88 Cl8 Cu8 N32 O24 -","4","0.5","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar","Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies","Inorganica Chimica Acta","2013","395","","1","10","10.1016/j.ica.2012.10.013","","","0.71073","MoKα","","0.0705","0.0587","","","0.1441","0.1497","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512862","14.831","0.0013","15.8627","0.0014","16.9169","0.0012","90","","90","","90","","3979.9","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Fe N6 S6 -","- C14 H8 Fe N6 S6 -","- C112 H64 Fe8 N48 S48 -","8","1","","Anita Abedi; Vahid Amani; Roman Boca; Lubor Dlhan; Hamid Reza Khavasi; Nasser Safari","Bis(isothiocyanato)iron(II) complexes with bithiazole ligands: Structure and magnetic studies","Inorganica Chimica Acta","2013","395","","58","66","10.1016/j.ica.2012.10.037","","","0.71073","MoKα","","0.1621","0.0824","","","0.1213","0.1437","","","","","","1.103","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512924","12.654","0.0013","12.9686","0.0013","19.864","0.002","90","","90","","90","","3259.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H22 Br3 La O9 -","- C2 H22 Br3 La O9 -","- C16 H176 Br24 La8 O72 -","8","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0194","0.0158","","","0.0333","0.0344","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512932","16.998","0.002","17.515","0.002","32.617","0.005","90","","90","","90","","9711","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 N4 Nd -","- C20 H20 Br3 N4 Nd -","- C320 H320 Br48 N64 Nd16 -","16","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0866","0.0386","","","0.0619","0.0796","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512963","10.9446","0.0018","13.11","0.002","10.945","","90","","90","","90","","1570.4","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Ba N6 O2 S2 -","- C8 H16 Ba N6 O2 S2 -","- C32 H64 Ba4 N24 O8 S8 -","4","0.5","","Wenjun Zheng; Dongming Yang","1,2,4-Triazolato barium complex: The layered polymeric planar structure with an nu2-nu2,nu1 bridging coordination","Inorganica Chimica Acta","2013","396","","21","24","10.1016/j.ica.2012.12.027","","","0.71073","MoKα","","0.0216","0.0169","","","0.0486","0.0528","","","","","","0.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512976","11.8253","0.0018","17.268","0.003","19.299","0.003","90","","90","","90","","3940.8","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 Zn -","- C21 H19 N3 O4 Zn -","- C168 H152 N24 O32 Zn8 -","8","1","","De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu","Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks","Inorganica Chimica Acta","2013","396","","84","91","10.1016/j.ica.2012.10.006","","","0.71073","MoKα","","0.1186","0.0641","","","0.1718","0.2067","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1513028","17.8084","0.0006","18.8997","0.0006","24.4847","0.0007","90","","90","","90","","8240.9","0.4","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-(Diaqua-tris(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-disilver(i)) diacetate","","- C34 H51.12 Ag2 N12 O5.56 -","- C34 H51.122 Ag2 N12 O5.561 -","- C272 H408.976 Ag16 N96 O44.488 -","8","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0374","0.0249","","","0.0665","0.0694","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513043","9.9537","0.0015","9.6632","0.0015","16.173","0.003","90","","90","","90","","1555.6","0.4","198","2","198","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","D,L-mandelic acid redetermination","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Ivanova, Bojidarka","Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.058","0.041","","","0.1244","0.144","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513057","13.526","0.002","15.045","0.002","16.533","0.003","90","","90","","90","","3364.4","0.9","202","2","202","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1-(2-chloroethyl)piperidinium 5-sulfosalicylicilate","","","- C14 H20 Cl N O6 S -","- C14 H20 Cl N O6 S -","- C112 H160 Cl8 N8 O48 S8 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.0912","0.0752","","","0.1959","0.2123","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513080","13.5214","0.0005","16.1932","0.0008","22.1855","0.0009","90","","90","","90","","4857.6","0.4","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H26 F6 N Na O10 S2 -","- C14 H26 F6 N Na O10 S2 -","- C112 H208 F48 N8 Na8 O80 S16 -","8","1","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.71075","MoKα","","","0.0604","","","","0.1588","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513128","17.494","0.0015","10.8153","0.0008","27.104","0.002","90","","90","","90","","5128.2","0.7","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Br O6 S2 -","- C28 H25 Br O6 S2 -","- C224 H200 Br8 O48 S16 -","8","1","","Zheng, Jie; Huang, You; Li, Zhengming","Phosphine-Catalyzed Domino Reaction: An Efficient Method for the Synthesis of Bicyclo[3.2.0]heptenes Skeleton.","Organic letters","2013","15","22","5758","5761","10.1021/ol402799w","","","0.71075","MoKα","","0.0336","0.0301","","","0.0725","0.0743","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513157","10.6801","0.0004","8.9717","0.0003","26.3836","0.001","90","","90","","90","","2528.04","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.56086","AgKα","","0.0407","0.0348","","","0.0865","0.0893","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513171","10.5942","0.001","9.8494","0.0013","19.646","0.002","90","","90","","90","","2050","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H2 N2 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides","Ecotoxicology and Environmental Safety","2013","91","","86","95","10.1016/j.ecoenv.2013.01.010","","","0.71073","MoKα","","0.1585","0.1396","","","0.2466","0.251","","","","","","2.575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513278","12.149","0.002","15.807","0.003","17.735","0.003","90","","90","","90","","3405.8","1","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 B N Se -","- C21 H16 B N Se -","- C168 H128 B8 N8 Se8 -","8","1","","Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki","Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain","Macromolecules","2009","42","8","2988","","10.1021/ma900008m","","","0.71075","MoKα","","0.2296","0.0654","","","0.0522","0.0731","","","","","","0.916","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513279","12.08","0.002","15.806","0.004","17.537","0.005","90","","90","","90","","3348.5","1.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 B N S -","- C21 H16 B N S -","- C168 H128 B8 N8 S8 -","8","1","","Tokoro, Yuichiro; Nagai, Atsushi; Kokado, Kenta; Chujo, Yoshiki","Synthesis of Organoboron Quinoline-8-thiolate and Quinoline-8-selenolate Complexes and Their Incorporation into the π-Conjugated Polymer Main-Chain","Macromolecules","2009","42","8","2988","","10.1021/ma900008m","","","0.71075","MoKα","","0.2047","0.0892","","","0.1214","0.1524","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513497","14.849","0.003","12.95","0.003","30.051","0.005","90","","90","","90","","5779","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H48 Cl4 N12 O4 -","- C59 H48 Cl4 N12 O4 -","- C236 H192 Cl16 N48 O16 -","4","0.5","","Tran, Minh Quan; Ermolenko, Ludmila; Retailleau, Pascal; Nguyen, Thanh Binh; Al-Mourabit, Ali","Reaction of Quinones and Guanidine Derivatives: Simple Access to Bis-2-aminobenzimidazole Moiety of Benzosceptrin and Other Benzazole Motifs.","Organic letters","2014","16","3","920","923","10.1021/ol403672p","","","0.7107","MoKα","","0.0888","0.0682","","","0.1693","0.1819","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513511","7.6857","0.0015","15.248","0.003","28.403","0.006","90","","90","","90","","3328.6","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 F6 N2 -","- C18 H10 F6 N2 -","- C144 H80 F48 N16 -","8","1","","Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo","AgF-mediated fluorinative homocoupling of gem-difluoroalkenes.","Organic letters","2014","16","1","102","105","10.1021/ol403083e","","","1.54178","CuKα","","0.0359","0.0337","","","0.0897","0.0915","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513529","11.6106","0.0009","9.0413","0.0007","24.953","0.002","90","","90","","90","","2619.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Zn -","- C28 H28 N4 O8 Zn -","- C112 H112 N16 O32 Zn4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.105","0.1037","","","0.1946","0.1953","","","","","","1.367","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513530","13.867","0.002","12.856","0.002","15.535","0.002","90","","90","","90","","2769.5","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N4 O9 -","- C28 H30 N4 O9 -","- C112 H120 N16 O36 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.15","0.0881","","","0.2659","0.3191","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513531","14.1047","0.0006","12.6047","0.0005","15.526","0.0007","90","","90","","90","","2760.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N4 O8 Pd -","- C28 H28 N4 O8 Pd -","- C112 H112 N16 O32 Pd4 -","4","0.5","","Rana, Anup; Panda, Pradeepta K.","β-Octamethoxyporphycenes.","Organic letters","2014","16","1","78","81","10.1021/ol403068j","","","0.71073","MoKα","","0.075","0.0354","","","0.0936","0.1086","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513551","18.1408","0.001","15.6808","0.0006","19.7387","0.001","90","","90","","90","","5614.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl2 O2 Pd2 S2 -","- C28 H26 Cl2 O2 Pd2 S2 -","- C224 H208 Cl16 O16 Pd16 S16 -","8","1","","Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong","Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.","Organic letters","2014","16","1","46","49","10.1021/ol402921w","","","0.71073","MoKα","","0.0512","0.0331","","","0.066","0.0739","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513555","7.8959","0.0011","13.193","0.0018","25.493","0.004","90","","90","","90","","2655.6","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl2 O -","- C16 H10 Cl2 O -","- C128 H80 Cl16 O8 -","8","1","","Yuan, Weiming; Ma, Shengming","Benzofuran derivatives from alkynyl-substituted benzynes and aryl halides.","Organic letters","2014","16","1","193","195","10.1021/ol4032254","","","0.71073","MoKα","","0.0436","0.0396","","","0.1022","0.1062","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513604","19.3405","0.0008","11.3692","0.0003","25.8709","0.0008","90","","90","","90","","5688.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H22 Cl3 N6 O6 Ru -","- C27 H22 Cl3 N6 O6 Ru -","- C216 H176 Cl24 N48 O48 Ru8 -","8","1","","Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier","Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts","Catalysis Science & Technology","2014","4","1","190","","10.1039/c3cy00643c","","","0.71073","MoKα","","0.0752","0.0433","","","0.0905","0.1038","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513651","9.7184","0.0001","11.6807","0.0002","35.4816","0.0005","90","","90","","90","","4027.79","0.1","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H35 P -","- C22 H35 P -","- C176 H280 P8 -","8","1","","Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard","The frustrated Lewis pair pathway to methylene phosphonium systems","Chemical Science","2014","5","2","797","","10.1039/c3sc52327f","","","1.54178","CuKα","","0.037","0.0356","","","0.0951","0.0964","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513667","7.6612","0.0001","13.3624","0.0001","28.3524","0.0003","90","","90","","90","","2902.49","0.05","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","RajanBabu1748","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C112 H120 N24 O24 S8 -","8","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.053","0.0322","","","0.0769","0.0829","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513694","8.8131","0.0015","13.356","0.002","26.551","0.005","90","","90","","90","","3125.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trifluoro-1,4,7-trimethyl-1,4,7-triazonane-aluminium(III) hydrate","","- C9 H29 Al F3 N3 O4 -","- C9 H29 Al F3 N3 O4 -","- C72 H232 Al8 F24 N24 O32 -","8","1","","Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution","Chemical Science","2014","5","1","381","","10.1039/c3sc52104d","","","0.71073","MoKα","","0.1239","0.0791","","","0.1685","0.1957","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513731","17.177","0.003","19.182","0.003","24.723","0.004","90","","90","","90","","8146","2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C36 H33 B F6 N11 O6.5 Pd S2 -","- C288 H264 B8 F48 N88 O52 Pd8 S16 -","8","1","","Brandt, Jochen R.; Lee, Eunsung; Boursalian, Gregory B.; Ritter, Tobias","Mechanism of Electrophilic Fluorination with Pd(IV): Fluoride Capture and Subsequent Oxidative Fluoride Transfer(.)","Chemical science (Royal Society of Chemistry : 2010)","2014","5","1","169","","10.1039/C3SC52367E","","","0.71073","MoKα","","0.0727","0.0495","","","0.1298","0.1474","","","","","","1.069","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513737","22.486","0.0007","16.5586","0.0005","28.6689","0.0011","90","","90","","90","","10674.5","0.6","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H48 N8 O9 S4 Zn2 -","- C57 H48 N8 O9 S4 Zn2 -","- C456 H384 N64 O72 S32 Zn16 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1322","0.0851","","","0.224","0.2581","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513741","12.1889","0.0005","8.9564","0.0004","20.1062","0.0009","90","","90","","90","","2194.97","0.17","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.052","0.0382","","","0.0942","0.1022","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513759","16.0572","0.0004","13.6979","0.0003","17.9652","0.0004","90","","90","","90","","3951.44","0.16","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 -","- C27 H18 N2 -","- C216 H144 N16 -","8","1","","Tan, Wei Shyang; Prabhakar, Ch; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane","Effects of iptycene scaffolds on the photoluminescence of N,N-dimethylaminobenzonitrile and its analogues.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","211","223","10.1039/c3pp50196e","","","1.54178","CuKα","","0.0658","0.0497","","","0.131","0.1466","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513794","11.6307","0.0005","12.5277","0.0005","33.4761","0.0014","90","","90","","90","","4877.7","0.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 F5 Si3 -","- C21 H29 F5 Si3 -","- C168 H232 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0495","0.0426","","","0.119","0.1254","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513795","11.6585","0.0007","12.5084","0.0007","33.328","0.002","90","","90","","90","","4860.2","0.5","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H31 F5 Si3 -","- C21 H31 F5 Si3 -","- C168 H248 F40 Si24 -","8","1","","Inagaki, Yusuke; Nakamoto, Masaaki; Sekiguchi, Akira","A Diels-Alder super diene breaking benzene into C2H2 and C4H4 units.","Nature communications","2014","5","","3018","","10.1038/ncomms4018","","","0.71073","MoKα","","0.0373","0.0334","","","0.091","0.0937","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513812","10.3289","0.0019","12.271","0.002","27.811","0.005","90","","90","","90","","3524.9","1.1","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 F4 N O2 S -","- C18 H17 F2.719 N O2 S -","- C144 H136 F21.752 N8 O16 S8 -","8","1","","Cui, Jian; Jia, Qun; Feng, Ruo-Zhu; Liu, Shan-Shan; He, Tian; Zhang, Chi","Boron trifluoride etherate functioning as a fluorine source in an iodosobenzene-mediated intramolecular aminofluorination of homoallylic amines.","Organic letters","2014","16","5","1442","1445","10.1021/ol500238k","","","0.71073","MoKα","","0.0558","0.0491","","","0.1283","0.134","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513948","7.968","0.0016","15.3","0.003","16.954","0.003","90","","90","","90","","2066.9","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-(methylsulfonyl)-2-(trifluoromethyl)aniline","","","- C8 H8 F3 N O2 S -","- C8 H8 F3 N O2 S -","- C64 H64 F24 N8 O16 S8 -","8","1","","Xie, Jin; Yuan, Xiangai; Abdukader, Ablimit; Zhu, Chengjian; Ma, Jing","Visible-light-promoted radical C-h trifluoromethylation of free anilines.","Organic letters","2014","16","6","1768","1771","10.1021/ol500469a","","","0.71073","MoKα","","0.1027","0.059","","","0.1537","0.1802","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514103","9.4118","0.0008","9.4177","0.0007","9.4233","0.0007","90","","90","","90","","835.26","0.11","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Manganese(III) Oxide - Alpha","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","2","","Norrestam, R.","Alpha-manganese(III) oxide - a C-type sesquioxide of orthorhombic symmetry","Acta Chemica Scandinavica (1-27,1973-42,1988)","1967","21","","2871","2884","10.3891/acta.chem.scand.21-2871","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514122","18.444","0.005","15.948","0.004","25.573","0.006","90","","90","","90","","7522","3","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H38 N6 O5 -","- C48 H38 N6 O5 -","- C384 H304 N48 O40 -","8","1","","Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro","Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures.","The journal of physical chemistry. A","2014","118","12","2288","2297","10.1021/jp412672a","","","0.71073","MoKα","","0.1114","0.0619","","","0.1351","0.1579","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514125","13.4011","0.0003","21.5414","0.0003","48.6745","0.001","90","","90","","90","","14051.3","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cl2 Fe P2 -","- C39 H48 Cl2 Fe P2 -","- C624 H768 Cl32 Fe16 P32 -","16","2","","Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan","Indirect ""no-bond"" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.","The journal of physical chemistry. A","2014","118","12","2316","2331","10.1021/jp500172b","","","0.71073","MoKα","","0.0887","0.0756","","","0.2008","0.2117","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514137","15.98","0.003","14.393","0.002","24.368","0.004","90","","90","","90","","5604.6","1.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Fe N2 O -","- C27 H35 Cl3 Fe N2 O -","- C216 H280 Cl24 Fe8 N16 O8 -","8","1","","Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A.","Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates","Chemical Science","2014","5","4","1526","","10.1039/c3sc52533c","","","0.71073","MoKα","","0.0968","0.0594","","","0.1406","0.1665","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514202","15.5492","0.0008","10.0774","0.0005","19.0625","0.001","90","","90","","90","","2987","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C144 H168 N24 O8 -","8","1","","Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey","A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.","Organic letters","2014","16","7","1844","1847","10.1021/ol500011f","","","1.54178","CuKα","","0.0326","0.0326","","","0.0792","0.0792","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514218","16.8408","0.001","14.2476","0.0008","19.6198","0.0011","90","","90","","90","","4707.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C224 H224 O32 -","8","1","","Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin","AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives.","Organic letters","2014","16","7","1856","1859","10.1021/ol500136x","","","0.71073","MoKα","","0.0614","0.0428","","","0.1118","0.1248","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514247","15.741","0.004","16.454","0.005","18.665","0.006","90","","90","","90","","4834","2","198","","198","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(G2)2-LiTDI","","- C18 H28 F3 Li N4 O6 -","- C18 H28 F3 Li N4 O6 -","- C144 H224 F24 Li8 N32 O48 -","8","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.11","0.0785","","","0.2137","0.2423","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514256","9.8687","0.0009","12.9702","0.0011","29.514","0.003","90","","90","","90","","3777.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","13214z","","","- C20 H18 Cl N O4 S -","- C20 H18 Cl N O4 S -","- C160 H144 Cl8 N8 O32 S8 -","8","1","","He, Shuzhong; Hsung, Richard P; Presser, William R; Ma, Zhi-Xiong; Haugen, Bryan J","An Approach to Cyclohepta[b]indoles through an Allenamide (4 + 3) Cycloaddition-Grignard Cyclization-Chugaev Elimination Sequence.","Organic letters","2014","16","8","2180","2183","10.1021/ol5006455","","","1.54178","CuKα","","0.0649","0.0451","","","0.0955","0.1063","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514295","14.0939","0.0012","19.1285","0.0016","26.663","0.002","90","","90","","90","","7188.2","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H30 F3 N3 O3 Pt S -","- C37 H30 F3 N3 O3 Pt S -","- C296 H240 F24 N24 O24 Pt8 S8 -","8","1","","Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo","Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters","Chemical Science","2014","5","5","1875","","10.1039/c3sc53187b","","","0.71073","MoKα","","0.0347","0.0269","","","0.0588","0.0609","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514318","17.9132","0.0006","11.6738","0.0004","21.3034","0.0008","90","","90","","90","","4454.9","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Mo N2 O4 -","- C22 H24 Mo N2 O4 -","- C176 H192 Mo8 N16 O32 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.0315","0.024","","","0.0601","0.0647","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514320","17.8251","0.0009","11.6986","0.0006","21.3193","0.0011","90","","90","","90","","4445.7","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 W -","- C22 H24 N2 O4 W -","- C176 H192 N16 O32 W8 -","8","1","","Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts","Chemical Science","2014","5","5","1894","","10.1039/c3sc53470g","","x-ray","0.71073","MoKα","K-L~3~","0.02","0.0159","","","0.0364","0.0387","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514329","8.117","0.003","20.123","0.008","20.541","0.008","90","","90","","90","","3355","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H16 Cl2 O Pd S2 -","- C15 H16 Cl2 O Pd S2 -","- C120 H128 Cl16 O8 Pd8 S16 -","8","1","","Joshi, Hemant; Sharma, Kamal Nayan; Sharma, Alpesh K; Singh, Ajai Kumar","Palladium-phosphorus/sulfur nanoparticles (NPs) decorated on graphene oxide: synthesis using the same precursor for NPs and catalytic applications in Suzuki-Miyaura coupling.","Nanoscale","2014","6","9","4588","4597","10.1039/c3nr06586c","","","0.71073","MoKα","","0.0547","0.0426","","","0.1124","0.1191","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514431","19.744","0.004","19.587","0.004","32.31","0.007","90","","90","","90","","12495","4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H44 Br4 N8 O7 -","- C62 H44 Br4 N8 O7 -","- C496 H352 Br32 N64 O56 -","8","1","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.1787","0.0895","","","0.2549","0.3053","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514486","18.9604","0.001","9.3522","0.0006","19.2687","0.0012","90","","90","","90","","3416.8","0.4","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxybenzyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol- 2-ium chloride deuterohydrate","","- C18 H18 Cl D2 N3 O2 -","- C18 H18 Cl D2 N3 O2 -","- C144 H144 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0391","0.0303","","","0.0731","0.0798","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514487","19.2697","0.0016","9.5129","0.0008","19.6896","0.0016","90","","90","","90","","3609.3","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-paramethylbenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C19 H20 Cl D2 N3 O2 -","- C19 H20 Cl D2 N3 O2 -","- C152 H160 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.1355","0.0475","","","0.0938","0.1198","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514488","18.8845","0.0008","9.4266","0.0004","19.2915","0.0009","90","","90","","90","","3434.2","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-parafluorobenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C18 H17 Cl D2 F N3 O2 -","- C18 H17 Cl D2 F N3 O2 -","- C144 H136 Cl8 D16 F8 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0439","0.0319","","","0.0773","0.0863","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514588","14.8187","0.0006","19.5498","0.0008","28.0267","0.0011","90","","90","","90","","8119.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","IPrAuPMes2","","","- C45 H58 Au N2 P -","- C45 H58 Au N2 P -","- C360 H464 Au8 N16 P8 -","8","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0704","0.0402","","","0.0793","0.0922","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514602","9.3855","0.0003","9.7769","0.0003","26.717","0.0007","90","","90","","90","","2451.58","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0368","0.0353","","","0.0988","0.1","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514603","9.4924","0.0005","9.8406","0.0005","26.8817","0.0013","90","","90","","90","","2511","0.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0555","0.0482","","","0.1463","0.1551","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514625","14.86","0.003","17.21","0.003","45.3","0.009","90","","90","","90","","11585","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C59 H82 Mg2 N4 O S2 -","- C59 H82 Mg2 N4 O S2 -","- C472 H656 Mg16 N32 O8 S16 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.7108","Synchrotron","","0.1105","0.0989","","","0.2167","0.2218","","","","","","1.22","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514638","14.135","0.003","21.331","0.004","31.17","0.006","90","","90","","90","","9398","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0793","0.059","","","0.1524","0.1764","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514639","14.338","0.003","21.619","0.004","31.136","0.006","90","","90","","90","","9651","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 B2 F8 N10 Rh2 -","- C42 H48 B2 F8 N10 Rh2 -","- C336 H384 B16 F64 N80 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0374","0.0262","","","0.059","0.066","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514641","14.126","0.003","21.399","0.004","31.434","0.006","90","","90","","90","","9502","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.068","0.0443","","","0.101","0.1133","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514644","9.79459","0.00015","10.18235","0.00018","34.1007","0.0007","90","","90","","90","","3400.93","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.051","0.0481","","","0.1294","0.132","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514741","21.8628","0.0013","22.1892","0.0011","31.9347","0.0014","90","","90","","90","","15492.1","1.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Li N2 Zn -","- C39 H63 Li N2 Zn -","- C624 H1008 Li16 N32 Zn16 -","16","2","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.2203","0.0897","","","0.1845","0.2639","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514750","10.6981","0.0004","14.3379","0.0007","26.3743","0.0011","90","","90","","90","","4045.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 B2 N2 O -","- C26 H22 B2 N2 O -","- C208 H176 B16 N16 O8 -","8","1","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0595","0.0445","","","0.1119","0.1211","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514761","10.2738","0.0001","11.207","0.0001","19.0373","0.0002","90","","90","","90","","2191.93","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Farmer, Rebecca L.; Scheidt, Karl A.","A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3304","3309","10.1039/C3SC50424G","","","0.71073","MoKα","","0.0441","0.0357","","","0.0964","0.1013","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514766","22.0395","0.0005","16.0165","0.0004","39.3819","0.0007","90","","90","","90","","13901.6","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C58 H76.5 Br6 Dy N9 O13.25 Zn2 -","- C464 H612 Br48 Dy8 N72 O106 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1014","0.0821","","","0.2161","0.2339","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514767","20.5186","0.0014","16.4699","0.0011","37.585","0.003","90","","90","","90","","12701.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C432 H496 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1746","0.0725","","","0.1359","0.1736","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514768","21.893","0.0015","15.9613","0.0015","39.306","0.003","90","","90","","90","","13735.1","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C55 H64 Br6 Dy N9 O10 Zn2 -","- C440 H512 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.183","0.0924","","","0.2242","0.2621","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514789","9.7242","0.0001","17.6641","0.0002","25.6425","0.0002","90","","90","","90","","4404.59","0.08","173","0.14","173","0.14","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","1","","Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics","Chemical Science","2013","4","9","3725","","10.1039/c3sc50648g","","x-ray","1.5418","CuKα","","0.0355","0.032","","","0.0835","0.0865","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514792","9.7761","0.0009","14.7382","0.001","24.0669","0.0016","90","","90","","90","","3467.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl3 N O2 -","- C16 H14 Cl3 N O2 -","- C128 H112 Cl24 N8 O16 -","8","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1182","0.0901","","","0.2524","0.2826","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514808","7.768","0.002","12.985","0.003","19.423","0.004","90","","90","","90","","1959.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N2 P -","- C6 H13 Cl2 N2 P -","- C48 H104 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0358","0.0316","","","0.0845","0.0879","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514813","12.8424","0.0006","12.65","0.0006","13.2356","0.0006","90","","90","","90","","2150.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10 Cl4 N2 Si -","- C5 H10 Cl4 N2 Si -","- C40 H80 Cl32 N16 Si8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0427","0.0288","","","0.0715","0.0819","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514886","12.5135","0.0007","8.2914","0.0004","41.841","0.002","90","","90","","90","","4341.2","0.4","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N5 O2 -","- C24 H29 N5 O2 -","- C192 H232 N40 O16 -","8","1","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.0751","0.0573","","","0.1516","0.1697","","","","","","1.266","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514897","17.7224","0.0011","9.6794","0.0006","19.248","0.0011","90","","90","","90","","3301.8","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H56 O2 Zn2 -","- C34 H56 O2 Zn2 -","- C136 H224 O8 Zn8 -","4","0.5","","Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert","Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization","Polymer Chemistry","2013","4","17","4718","","10.1039/c3py00506b","","","0.71073","MoKα","","0.0372","0.0289","","","0.075","0.0827","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514905","9.1328","0.0006","9.0544","0.0005","39.49","0.004","90","","90","","90","","3265.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N4 O8 S Zn -","- C12 H16 N4 O8 S Zn -","- C96 H128 N32 O64 S8 Zn8 -","8","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0782","0.0571","","","0.1038","0.1124","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514949","21.7477","0.0009","13.4689","0.0006","35.5044","0.0011","90","","90","","90","","10399.9","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 O2 Si -","- C32 H26 O2 Si -","- C512 H416 O32 Si16 -","16","2","","Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong","Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application","Chemical Science","2012","3","2","549","","10.1039/c1sc00688f","","","1.54178","CuKα","","0.0958","0.0456","","","0.077","0.0847","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514991","16.1008","0.0013","16.9634","0.0013","25.931","0.002","90","","90","","90","","7082.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[SiP(iPr)3]Ni-CH3","","","- C37 H57 Ni P3 Si -","- C37 H57 Ni P3 Si -","- C296 H456 Ni8 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0482","0.0356","","","0.0848","0.0939","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514994","26.3375","0.0011","19.5435","0.0008","27.2078","0.001","90","","90","","90","","14004.6","1","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","{[SiP(iPr)3]Ni-CO}{BArF}","","","- C69 H66 B Cl F24 Ni O P3 Si -","- C68.873 H66 B Cl0.127 F24 Ni O0.873 P3 Si -","- C550.984 H528 B8 Cl1.016 F192 Ni8 O6.984 P24 Si8 -","8","1","","Tsay, Charlene; Peters, Jonas C.","Thermally stable N2 and H2 adducts of cationic nickel(ii)","Chemical Science","2012","3","4","1313","","10.1039/c2sc01033j","","","0.71073","MoKα","","0.0832","0.054","","","0.1278","0.1443","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515112","28.784","0.003","28.621","0.003","13.801","0.0013","90","","90","","90","","11370","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SIMesBr2","","","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C22.5 H27.5 Br2 Cl4.5 N2 -","- C360 H440 Br32 Cl72 N32 -","16","2","","Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Homonuclear bond activation using a stable N,N′-diamidocarbene","Chemical Science","2012","3","10","2986","","10.1039/c2sc20639k","","","0.71075","MoKα","","0.0885","0.0577","","","0.134","0.1514","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515140","7.3925","0.0003","12.3693","0.0006","19.4209","0.0009","90","","90","","90","","1775.85","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 D4 Fe -","- C12 H12 Fe -","- C96 H96 Fe8 -","8","1","","Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian","An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes","Chemical Science","2012","3","3","830","","10.1039/c1sc00566a","","","0.71073","MoKα","","0.0281","0.0222","","","0.0554","0.0591","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515290","7.7387","0.0005","24.7405","0.0018","27.364","0.002","90","","90","","90","","5239.1","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl N3 O P Pd S -","- C27 H23 Cl N3 O P Pd S -","- C216 H184 Cl8 N24 O8 P8 Pd8 S8 -","8","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0595","0.0329","","","0.062","0.0714","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515312","12.847","0.005","8.845","0.004","32.399","0.013","90","","90","","90","","3682","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C200 H136 N8 O16 -","8","1","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.1192","0.0535","","","0.1219","0.1569","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515375","7.756","0.006","10.12","0.007","37.38","0.03","90","","90","","90","","2934","4","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O S -","- C15 H22 N2 O S -","- C120 H176 N16 O8 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1142","0.097","","","0.2373","0.2504","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515448","7.7628","0.0009","11.1348","0.0013","32.262","0.004","90","","90","","90","","2788.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.7107","MoKα","","0.0582","0.0423","","","0.109","0.128","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515463","18.526","0.004","22.046","0.004","23.559","0.005","90","","90","","90","","9622","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H46 F12 N8 P2 Pt2 -","- C47 H46 F12 N8 P2 Pt2 -","- C376 H368 F96 N64 P16 Pt16 -","8","1","","Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming","Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells","Chemical Science","2011","2","4","728","","10.1039/c0sc00593b","","","1.54178","CuKα","","0.0539","0.0433","","","0.1026","0.1107","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515476","11.699","0.003","15.37","0.004","45.229","0.011","90","","90","","90","","8133","4","139","2","139","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H69 P5 Pt2 -","- C34 H69 P5 Pt2 -","- C272 H552 P40 Pt16 -","8","1","","Waterman, Rory; Tilley, T. Don","Terminal hafnium phosphinidene complexes and phosphinidene ligand exchange","Chemical Science","2011","2","7","1320","","10.1039/c1sc00119a","","","0.71073","MoKα","","0.1243","0.0482","","","0.0799","0.0965","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515527","12.3076","0.0003","9.776","0.0003","26.6952","0.0007","90","","90","","90","","3211.94","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C128 H176 N16 O16 S8 -","8","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0504","0.0407","","","0.1041","0.111","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515535","12.7496","0.001","10.619","0.0012","22.4445","0.0018","90","","90","","90","","3038.7","0.5","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C136 H176 O24 -","8","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.1217","0.0761","","","0.1951","0.2347","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515570","18.7505","0.0012","7.0987","0.0004","20.0419","0.0012","90","","90","","90","","2667.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C120 H80 Br16 N16 -","8","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0561","0.0357","","","0.0785","0.0854","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515587","19.9166","0.0018","19.1716","0.0018","21.779","0.002","90","","90","","90","","8315.9","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 N3 O3 Si Ti -","- C40 H63 N3 O3 Si Ti -","- C320 H504 N24 O24 Si8 Ti8 -","8","1","","Silvia, Jared S.; Cummins, Christopher C.","Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium","Chemical Science","2011","2","8","1474","","10.1039/c1sc00215e","","","0.71073","MoKα","","0.062","0.0427","","","0.0987","0.1113","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515637","17.3775","0.0012","17.494","0.0012","24.6892","0.0017","90","","90","","90","","7505.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H88 N32 Ni4 O16 -","- C56 H88 N32 Ni4 O16 -","- C224 H352 N128 Ni16 O64 -","4","0.5","","Alkordi, Mohamed H.; Belof, Jonathan L.; Rivera, Edwin; Wojtas, Lukasz; Eddaoudi, Mohamed","Insight into the construction of metal‒organic polyhedra: metal‒organic cubes as a case study","Chemical Science","2011","2","9","1695","","10.1039/c1sc00269d","","","1.54178","CuKα","","0.1346","0.0702","","","0.1688","0.2018","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515668","19.5019","0.001","16.3963","0.0007","21.7273","0.0011","90","","90","","90","","6947.5","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 B F12 N2 O P -","- C36 H36 B F12 N2 O P -","- C288 H288 B8 F96 N16 O8 P8 -","8","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0768","0.0421","","","0.0894","0.1042","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515693","11.8469","0.0007","8.7118","0.0005","28.9529","0.0017","90","","90","","90","","2988.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N2 O12 Zn -","- C28 H36 N2 O12 Zn -","- C112 H144 N8 O48 Zn4 -","4","0.5","","Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota","Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.","Metallomics : integrated biometal science","2011","3","7","675","679","10.1039/c1mt00009h","","","0.71073","MoKα","","0.0483","0.0333","","","0.0889","0.1041","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515695","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.166","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515722","7.5432","0.0006","11.7934","0.0009","11.8041","0.0009","90","","90","","90","","1050.09","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 F N -","- C13 H10 F N -","- C52 H40 F4 N4 -","4","0.5","","Mondal, Barnali; Captain, Burjor; Ramamurthy, V.","Photodimerization of HCl salts of azastilbenes in the solid state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","6","891","894","10.1039/c1pp05070b","","","0.71073","MoKα","","0.06","0.0486","","","0.1263","0.1376","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515812","18.1601","0.0005","19.1808","0.0005","20.2261","0.0005","90","","90","","90","","7045.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H50 N P2 V -","- C38 H50 N P2 V -","- C304 H400 N8 P16 V8 -","8","1","","Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.","Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex","Chemical Science","2010","1","3","351","","10.1039/c0sc00201a","","","0.41328","synchrotron","","0.044","0.0319","","","0.0795","0.0876","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515873","10.8837","0.001","9.9484","0.001","24.339","0.002","90","","90","","90","","2635.3","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0643","0.0387","","","0.0812","0.0908","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515887","12.8758","0.0003","17.5058","0.0004","18.2986","0.0004","90","","90","","90","","4124.53","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C200 H176 N16 O24 -","8","1","","Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J.","Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines","Chemical Science","2014","5","7","2732","","10.1039/c4sc00415a","","","0.71073","MoKα","","0.0608","0.0507","","","0.1066","0.1113","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515919","13.0065","0.0007","12.4226","0.0006","21.8351","0.0011","90","","90","","90","","3528","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H15 B F2 N2 -","- C23 H15 B F2 N2 -","- C184 H120 B8 F16 N16 -","8","1","","Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William","Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","1009","1017","10.1039/c0pp00039f","","","0.71073","MoKα","","0.0673","0.0426","","","0.0924","0.0972","","","","","","0.964","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515927","16.1137","0.0008","8.8958","0.0004","22.983","0.0012","90","","90","","90","","3294.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N -","- C22 H19 N -","- C176 H152 N8 -","8","1","","Greenberg, Sharonna; Stephan, Douglas W.","Hydroamination as a route to nitrogen-containing oligomers","Polymer Chemistry","2010","1","8","1332","","10.1039/c0py00120a","","","0.71073","MoKα","","0.092","0.0566","","","0.148","0.1711","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515983","12.802","0.005","19.593","0.005","25.555","0.005","90","0.005","90","0.005","90","0.005","6410","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N4 O4 -","- C36 H44 N4 O4 -","- C288 H352 N32 O32 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1482","0.0999","","","0.2462","0.2831","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515984","29.124","0.005","8.811","0.005","29.171","0.005","90","","90","","90","","7486","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H46 N2 O8 S2 -","- C40 H38 N2 O4 S2 -","- C320 H304 N16 O32 S16 -","8","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Dherange, Balu D.","Remarkable switch of regioselectivity in diels-alder reaction: divergent total synthesis of borreverine, caulindoles, and flinderoles.","Organic letters","2014","16","10","2764","2767","10.1021/ol501078d","","","0.71069","MoKα","","0.1095","0.0705","","","0.1802","0.2061","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515988","10.915","0.004","10.002","0.003","27.209","0.009","90","","90","","90","","2970.5","1.7","188","1","188","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N4 O4 -","- C36 H36 N4 O4 -","- C144 H144 N16 O16 -","4","0.5","","Culf, Adrian S.; Cuperlović-Culf, Miroslava; Léger, Daniel A; Decken, Andreas","Small Head-to-Tail Macrocyclic α-Peptoids.","Organic letters","2014","16","10","2780","2783","10.1021/ol501102b","","x-ray","0.71073","MoKα","","0.1129","0.0607","","","0.1353","0.1642","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516061","9.5653","0.0014","10.45","0.0013","30.655","0.005","90","","90","","90","","3064.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C136 H176 N16 O24 -","8","1","","Hirschhäuser, Christoph; Parker, Jeremy S.; Perry, Matthew W. D.; Haddow, Mairi F.; Gallagher, Timothy","Spiro-fused pyrrolidine, piperidine, and oxindole scaffolds from lactams.","Organic letters","2012","14","18","4846","4849","10.1021/ol302176z","","","1.54178","CuKα","","0.1054","0.0784","","","0.1744","0.1857","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516140","16.815","0.0002","17.575","0.0002","28.6833","0.0004","90","","90","","90","","8476.59","0.18","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H47.38 B Cl Ir N4 O0.19 -","- C48 H47.384 B Cl Ir N4 O0.192 -","- C384 H379.072 B8 Cl8 Ir8 N32 O1.536 -","8","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0342","0.0217","","","0.0508","0.0526","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516172","12.306","0.003","9.48","0.002","18.766","0.004","90","","90","","90","","2189.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 B F2 N4 -","- C10 H9 B F2 N4 -","- C80 H72 B8 F16 N32 -","8","1","","Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong","Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole.","Organic letters","2014","16","11","3048","3051","10.1021/ol501162f","","","0.71073","MoKα","","0.147","0.0474","","","0.0952","0.1272","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516235","11.5879","0.0002","11.617","0.0002","19.7761","0.0004","90","","90","","90","","2662.19","0.08","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C104 H128 O48 -","8","1","","Rout, Saroj Kumar; Guin, Srimanta; Ali, Wajid; Gogoi, Anupal; Patel, Bhisma K.","Copper-Catalyzed Esterification of Alkylbenzenes with Cyclic Ethers and Cycloalkanes via C(sp(3))-H Activation Following Cross-Dehydrogenative Coupling.","Organic letters","2014","16","11","3086","3089","10.1021/ol5011906","","","0.71073","MoKα","","0.0566","0.0381","","","0.0965","0.1048","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516265","14.7042","0.0004","8.8119","0.0003","27.6407","0.0007","90","","90","","90","","3581.46","0.18","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H16 N2 O -","- C24 H16 N2 O -","- C192 H128 N16 O8 -","8","1","","Dong, Jiaxing; Wang, Fei; You, Jingsong","Copper-Mediated Tandem Oxidative C(sp(2))-H/C(sp)-H Alkynylation and Annulation of Arenes with Terminal Alkynes.","Organic letters","2014","16","11","2884","2887","10.1021/ol501023n","","","0.7107","MoKα","","0.0834","0.0474","","","0.0893","0.1051","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516273","16.1537","0.0003","19.955","0.0004","22.8279","0.0005","90","","90","","90","","7358.5","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C76 H118 B2 K2 O8 -","- C76 H118 B2 K2 O8 -","- C304 H472 B8 K8 O32 -","4","0.5","","Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood","Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole","Chemical Science","2014","5","8","3189","","10.1039/c4sc01201a","","","1.54178","CuKα","","0.0805","0.0701","","","0.2082","0.2222","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516332","23.517","0.018","21.766","0.018","14.71","0.01","90","","90","","90","","7530","10","223","","223","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H55 F3 O3 P2 Pd S Si -","- C38 H55 F3 O3 P2 Pd S Si -","- C304 H440 F24 O24 P16 Pd8 S8 Si8 -","8","1","","Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay","A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2","Chemical Science","2014","5","10","3859","","10.1039/C4SC01110D","","","0.71075","MoKα","","0.097","0.0634","","","0.1291","0.1433","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516376","17.4174","0.0002","7.0176","0.0001","19.344","0.0002","90","","90","","90","","2364.39","0.05","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C80 H112 N32 O48 -","8","1","","Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi","New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.","The journal of physical chemistry. A","2009","113","42","11354","11366","10.1021/jp902517x","","","0.71073","MoKα","","0.0497","0.0367","","","0.0901","0.0981","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516381","15.7","0.0013","6.8425","0.0006","33.139","0.003","90","","90","","90","","3560","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C184 H144 N16 -","8","1","","Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming","Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.","The journal of physical chemistry. A","2009","113","17","4868","4877","10.1021/jp807748t","","","0.71073","MoKα","","0.1265","0.0878","","","0.1902","0.2161","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516462","19.6725","0.0012","18.2791","0.0011","12.5149","0.0007","90","","90","","90","","4500.3","0.5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 S -","- C29 H22 N2 O2 S -","- C232 H176 N16 O16 S8 -","8","1","","Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki","Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines.","Organic letters","2014","16","11","3138","3141","10.1021/ol5012604","","","0.71075","MoKα","","","0.0404","","","","0.058","","","","","","1.331","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516490","26.9628","0.0009","15.3036","0.0004","6.9176","0.0002","90","","90","","90","","2854.39","0.15","295","1","295","1","","","","","","","LCSV","3","P b c a","-P 2ac 2ab","61","Flavanone 5","","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","","Sundaryono, Agus; Nourmamode, Aziz; Gardrat, Christian; Grelier, Stéphane; Bravic, Georges; Chasseau, Daniel; Castellan, Alain","Studies on the photochemistry of 1,7-diphenyl-1,6-heptadiene-3,5-dione, a non-phenolic curcuminoid model","Photochemical & Photobiological Sciences","2003","2","9","914","920","10.1039/b301229h","","","0.71073","MoKα","","","0.049","","0.123","","","","","0.999","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516498","16.1351","0.0009","15.7795","0.0012","21.2316","0.0015","90","","90","","90","","5405.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C272 H224 N16 O32 -","8","1","","Frischmann, Peter D.; Jiang, Jian; Hui, Joseph K.-H.; Grzybowski, Joseph J.; MacLachlan, Mark J.","Reversible-irreversible approach to Schiff base macrocycles: access to isomeric macrocycles with multiple salphen pockets.","Organic letters","2008","10","6","1255","1258","10.1021/ol8001317","","","0.71073","MoKα","","0.0934","0.0437","","","0.1013","0.1255","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516538","15.3898","0.0003","18.4053","0.0003","21.8004","0.0004","90","","90","","90","","6175.05","0.19","123","1","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C30 H45 As2 Cr3 -","- C30 H45 As2 Cr3 -","- C240 H360 As16 Cr24 -","8","1","","Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A.","Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide","Chemical Science","2014","5","6","2443","","10.1039/c4sc00666f","","x-ray","1.54178","CuKα","","0.0284","0.028","","","0.0754","0.0757","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516562","14.3661","0.0007","12.0848","0.0006","18.962","0.0009","90","","90","","90","","3292","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H29 B N2 -","- C15 H29 B N2 -","- C120 H232 B8 N16 -","8","1","","Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine","Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions","Chemical Science","2014","5","6","2271","","10.1039/c4sc00183d","","","0.71073","MoKα","","0.0694","0.0559","","","0.144","0.1541","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516588","10.4251","0.0006","20.765","0.0012","44.289","0.003","90","","90","","90","","9587.6","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H73 N Si Th -","- C47 H73 N Si Th -","- C376 H584 N8 Si8 Th8 -","8","1","","Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study","Chemical Science","2014","5","8","3165","","10.1039/c4sc00576g","","","0.71073","MoKα","","0.0457","0.0324","","","0.0636","0.0664","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516611","11.398","0.001","15.357","0.001","16.312","0.001","90","","90","","90","","2855.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","1","","Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann","Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths","Photochemical & Photobiological Sciences","2002","1","4","237","","10.1039/b200448h","","","0.71073","MoKα","","0.0595","0.0403","","","0.091","0.0998","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516617","17.47","0.002","11.704","0.002","18.731","0.004","90","","90","","90","","3829.9","1.1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst","Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide","Photochemical & Photobiological Sciences","2002","1","9","696","703","10.1039/b204569a","","","0.71073","MoKα","","0.1533","0.0656","","0.1715","0.135","","","","1.082","1.324","1.324","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516718","12.859","0.005","15.737","0.006","25.688","0.01","90","","90","","90","","5198","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1182","0.0768","","","0.1763","0.2019","","","","","","1.101","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516720","12.852","0.005","15.692","0.005","25.641","0.008","90","","90","","90","","5171","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C264 H224 N16 O16 -","8","1","","Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao","Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule","Chemical Science","2014","5","10","3922","","10.1039/C4SC01243G","","","0.71073","MoKα","","0.1022","0.0763","","","0.1726","0.1886","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516741","11.2885","0.0005","14.123","0.0006","17.4374","0.0007","90","","90","","90","","2780","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O3 S2 -","- C17 H12 O3 S2 -","- C136 H96 O24 S16 -","8","1","","Sugiyasu, Kazunori; Song, Changsik; Swager, Timothy M.","Aromaticity in Tropone-Containing Polythiophene","Macromolecules","2006","39","17","5598","","10.1021/ma061423+","","","0.71073","MoKα","","0.0332","0.0312","","","0.0841","0.0861","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516746","14.8638","0.0006","15.4624","0.0006","16.3768","0.0006","90","","90","","90","","3763.9","0.3","277.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 B N O3 -","- C24 H18 B N O3 -","- C192 H144 B8 N8 O24 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio","Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity.","Organic letters","2006","8","4","761","764","10.1021/ol053026+","","","0.7107","MoKα","","","0.0677","","","","0.1602","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516760","7.4039","0.0018","12.927","0.003","24.736","0.006","90","","90","","90","","2367.5","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C88 H88 Br8 O16 S8 -","8","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0969","0.0733","","","0.2317","0.2426","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516866","9.4814","0.0019","11.835","0.002","17.835","0.004","90","","90","","90","","2001.3","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 I2 N2 O2 Pb2 -","- C18 H12 I2 N2 O2 Pb2 -","- C72 H48 I8 N8 O8 Pb8 -","4","0.5","","Ezzatollah Najafi; Mostafa M. Amini; Ezeddin Mohajerani; Mohammad Janghouri; Hossein Razavi; Hamidreza Khavasi","Fabrication of an organic light-emitting diode (OLED) from a two-dimensional lead(II) coordination polymer","Inorganica Chimica Acta","2013","399","","119","125","","","","0.71073","MoKα","","0.0613","0.0475","","","0.1096","0.1144","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516867","11.6732","0.0007","15.9989","0.0008","25.6674","0.0012","90","","90","","90","","4793.6","0.4","191","2","191","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H32 Co K N4 O5 -","- C23 H32 Co K N4 O5 -","- C184 H256 Co8 K8 N32 O40 -","8","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0324","0.0285","","","0.0731","0.0752","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516882","7.8201","0.0006","15.7081","0.0011","21.1791","0.0015","90","","90","","90","","2601.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 I O2 -","- C14 H13 I O2 -","- C112 H104 I8 O16 -","8","1","","Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli","Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains.","Journal of medicinal chemistry","2014","57","14","6030","6042","10.1021/jm5004396","","","0.71073","MoKα","","0.02","0.0171","","","0.0396","0.0408","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516889","10.48","0.002","21.616","0.004","23.669","0.005","90","","90","","90","","5361.9","1.8","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","7","7","","- C50 H78 O4 Si4 U2 -","- C50 H78 O4 Si4 U2 -","- C200 H312 O16 Si16 U8 -","4","0.5","","Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent","Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes","Chemical Science","2014","5","10","3777","","10.1039/C4SC01401D","","","0.71073","MoKα","","0.176","0.0787","","","0.1014","0.1221","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516905","8.884","0.003","12.611","0.004","15.885","0.006","90","","90","","90","","1779.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N4 Ni O8 -","- C16 H26 N4 Ni O8 -","- C64 H104 N16 Ni4 O32 -","4","0.5","","Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu","Synthesis, structure and surface photo-electric property of Ni(II) complexes","Inorganica Chimica Acta","2013","399","","227","235","","","","0.71073","MoKα","","0.1043","0.0577","","","0.1247","0.1473","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516966","9.3932","0.0006","18.3398","0.0015","23.3368","0.0018","90","","90","","90","","4020.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C184 H176 N16 O8 -","8","1","","Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J","Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.","Organic letters","2014","16","14","3808","3811","10.1021/ol501699x","","","0.71073","MoKα","","0.1933","0.0969","","","0.1636","0.2021","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517007","10.2526","0.0002","22.0749","0.0004","38.2732","0.0007","90","","90","","90","","8662.2","0.3","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H44 Cl2 N4 Zn -","- C51 H44 Cl2 N4 Zn -","- C408 H352 Cl16 N32 Zn8 -","8","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.053","0.0386","","","0.0877","0.0935","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517016","19.1258","0.0009","23.0759","0.0012","23.544","0.0012","90","","90","","90","","10391","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H36 Mn3 N4 O13 S6 -","- C47 H36 Mn3 N4 O13 S6 -","- C376 H288 Mn24 N32 O104 S48 -","8","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.1662","0.065","","","0.1385","0.1809","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517017","18.974","0.004","22.931","0.005","23.64","0.005","90","","90","","90","","10286","4","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H33 Mn3 N3 O14 S6 -","- C45 H33 Mn3 N3 O14 S6 -","- C360 H264 Mn24 N24 O112 S48 -","8","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.1718","0.1016","","","0.2695","0.3233","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517020","11.5485","0.0003","16.5802","0.0004","20.5991","0.0004","90","","90","","90","","3944.24","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C176 H208 N16 O32 -","8","1","","Schurgers, Ben; Brigou, Ben; Urbanczyk-Lipkowska, Zofia; Tourwé, Dirk; Ballet, Steven; De Proft, Frank; Van Lommen, Guy; Verniest, Guido","Synthesis of Fused 3-Aminoazepinones via Trapping of a New Class of Cyclic Seven-Membered Allenamides with Furan.","Organic letters","2014","16","14","3712","3715","10.1021/ol501529z","","","1.54178","CuKα","","0.0417","0.0391","","","0.1019","0.1041","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517097","10.3022","0.0008","11.1065","0.0009","23.6758","0.0019","90","","90","","90","","2709","0.4","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Mo O5 -","- C13 H14 Mo O5 -","- C104 H112 Mo8 O40 -","8","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.032","0.0231","","","0.0474","0.0524","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517175","17.8212","0.0017","16.529","0.0017","26.155","0.003","90","","90","","90","","7704.4","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Br3 Fe Ga O3 P2 -","- C9 H18 Br3 Fe Ga O3 P2 -","- C144 H288 Br48 Fe16 Ga16 O48 P32 -","16","2","","Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing","Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs","Chemical Science","2014","5","10","4099","","10.1039/C4SC01539H","","","0.71073","MoKα","","0.0675","0.0385","","","0.085","0.0993","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517236","6.9386","0.0001","15.1121","0.0002","23.6998","0.0003","90","","90","","90","","2485.09","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C112 H104 N8 O40 -","8","1","","Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W.","Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a.","Organic letters","2014","16","16","4078","4081","10.1021/ol501662t","","","0.71073","MoKα","","0.0482","0.0358","","0.0788","0.0663","0.0788","","","","","","0.9815","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517254","11.1623","0.0003","13.076","0.0004","27.158","0.001","90","","90","","90","","3963.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C176 H200 N24 O16 -","8","1","","Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann","Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.","Organic letters","2014","16","16","4126","4129","10.1021/ol5018245","","x-ray","0.71073","MoKα","","0.1473","0.0635","","","0.1609","0.2214","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517421","6.387","0.0002","16.5721","0.0008","37.2128","0.0014","90","","90","","90","","3938.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","1","","Ma, Xueji; Pan, Shanfei; Wang, Hangxiang; Chen, Wanzhi","Rhodium-Catalyzed Transannulation of N-Sulfonyl-1,2,3-triazoles and Epoxides: Regioselective Synthesis of Substituted 3,4-Dihydro-2H-1,4-oxazines.","Organic letters","2014","16","17","4554","","10.1021/ol5021042","","","0.71073","MoKα","","0.0558","0.0404","","","0.0987","0.1097","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517491","12.6187","0.0002","15.3717","0.0003","15.8322","0.0003","90","","90","","90","","3070.99","0.1","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H27 N5 O2 -","- C13 H27 N5 O2 -","- C104 H216 N40 O16 -","8","1","","Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.","Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization","Polym. Chem.","2014","5","23","6678","","10.1039/C4PY01002G","","","0.71073","MoKα","","0.0545","0.043","","","0.1341","0.1382","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517559","10.498","0.003","7.559","0.004","23.466","0.01","90","","90","","90","","1862.1","1.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H16 F2 -","- C28 H16 F2 -","- C112 H64 F8 -","4","0.5","","Shen, Junjian; Yuan, Dafei; Qiao, Yan; Shen, Xingxing; Zhang, Zhongbo; Zhong, Yuwu; Yi, Yuanping; Zhu, Xiaozhang","Diaceno[a,e]pentalenes from Homoannulations of o-Alkynylaryliodides Utilizing a Unique Pd(OAc)2/n-Bu4NOAc Catalytic Combination.","Organic letters","2014","16","18","4924","4927","10.1021/ol502440d","","","0.71073","MoKα","","0.0867","0.0821","","","0.1397","0.1414","","","","","","1.367","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517649","16.739","0.002","9.557","0.004","20.295","0.004","90","","90","","90","","3246.7","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O4 S Zn -","- C16 H18 N2 O4 S Zn -","- C128 H144 N16 O32 S8 Zn8 -","8","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71073","MoKα","","0.0692","0.0423","","","0.089","0.0976","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517668","9.00239","0.00019","14.4646","0.0003","27.9468","0.0006","90","","90","","90","","3639.12","0.13","110.05","0.1","110.05","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C176 H176 N16 O24 -","8","1","","Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.","Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.","Organic letters","2014","16","18","4900","4903","10.1021/ol5024129","","x-ray","0.71073","MoKα","","0.0547","0.0519","","","0.137","0.1392","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517738","15.291","0.0014","15.0222","0.0014","32.525","0.003","90","","90","","90","","7471.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Z3","","","- C44 H50 N4 Zn -","- C44 H50 N4 Zn -","- C352 H400 N32 Zn8 -","8","1","","Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.","The journal of physical chemistry. C, Nanomaterials and interfaces","2014","118","38","21834","21845","10.1021/jp506855t","","","0.71073","MoKα","","0.0546","0.0368","","","0.0851","0.095","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517778","21.122","0.002","18.0874","0.0017","21.51","0.002","90","","90","","90","","8217.7","1.3","296","2","296","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C38 H33 Cl3 F3 Fe N4 O3 P Pd S -","- C38 H33 Cl3 F3 Fe N4 O3 P Pd S -","- C304 H264 Cl24 F24 Fe8 N32 O24 P8 Pd8 S8 -","8","1","","Hong-Mei Li; Chen Xu; Xin-Qi Hao; Zhen Li; Zhi-Qiang Wang; Wei-Jun Fu; Mao-Ping Song","Cationic cyclopalladated ferrocenylpyrimidine complex as an efficient catalyst for the synthesis of substituted biarylmethanol by the Suzuki reaction in water","Inorganica Chimica Acta","2013","404","","236","240","","","","0.71073","MoKα","","0.1475","0.0533","","","0.1163","0.1417","","","","","","0.834","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517806","10.5253","0.0005","17.2681","0.0008","20.8581","0.001","90","","90","","90","","3791","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cl2 N10 O2 Pt -","- C34 H46 Cl2 N10 O2 Pt -","- C136 H184 Cl8 N40 O8 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0758","0.0334","","","0.057","0.0668","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517807","10.4214","0.0002","17.7041","0.0003","21.4018","0.0005","90","","90","","90","","3948.66","0.14","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H50 Cl2 N10 O2 Pt -","- C36 H50 Cl2 N10 O2 Pt -","- C144 H200 Cl8 N40 O8 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.0539","0.031","","","0.0554","0.0652","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517810","10.7643","0.0002","17.784","0.0002","22.2899","0.0004","90","","90","","90","","4267.01","0.12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Cl2 N10 O4 Pt -","- C40 H54 Cl2 N10 O4 Pt -","- C160 H216 Cl8 N40 O16 Pt4 -","4","0.5","","Gushchin, Pavel V.; Kuznetsov, Maxim L.; Haukka, Matti; Kukushkin, Vadim Yu","Anionic halide···alcohol clusters in the solid state.","The journal of physical chemistry. A","2014","118","40","9529","9539","10.1021/jp506256a","","","0.71073","MoKα","","0.065","0.0301","","","0.0388","0.0449","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517851","21.073","0.006","7.448","0.002","23.393","0.006","90","","90","","90","","3671.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O6 -","- C23 H17 N O6 -","- C184 H136 N8 O48 -","8","1","","Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.","New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species","Chem. Sci.","2015","6","1","123","","10.1039/C4SC02491E","","","0.7749","synchrotron","","0.0782","0.0454","","","0.1009","0.1156","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517885","15.56","0.0011","8.7136","0.0006","35.624","0.003","90","","90","","90","","4830","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H9 B F18 -","- C24 H9 B F18 -","- C192 H72 B8 F144 -","8","1","","Zhang, Zuolun; Edkins, Robert M.; Nitsch, Jörn; Fucke, Katharina; Steffen, Andreas; Longobardi, Lauren E.; Stephan, Douglas W.; Lambert, Christoph; Marder, Todd B.","Optical and electronic properties of air-stable organoboron compounds with strongly electron-accepting bis(fluoromesityl)boryl groups","Chem. Sci.","2015","6","1","308","","10.1039/C4SC02410A","","","0.71073","MoKα","","0.072","0.0479","","","0.1162","0.1297","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517920","7.3708","0.0008","28.754","0.003","12.9255","0.0012","90","","90","","90","","2739.4","0.5","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(1-naphthyl)-4a,8a-azaboranaphthalene","","","- C18 H14 B N -","- C18 H14 B N -","- C144 H112 B8 N8 -","8","1","","Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong","Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.","Organic letters","2014","16","19","5024","5027","10.1021/ol502339h","","","0.71073","MoKα","","0.2202","0.1417","","","0.3326","0.3889","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517923","18.6948","0.0004","7.70147","0.00015","26.3894","0.0006","90","","90","","90","","3799.48","0.14","180.1","0.6","180.1","0.6","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Br F N O2 S -","- C20 H21 Br F N O2 S -","- C160 H168 Br8 F8 N8 O16 S8 -","8","1","","Romanov-Michailidis, Fedor; Pupier, Marion; Besnard, Céline; Bürgi, Thomas; Alexakis, Alexandre","Enantioselective Catalytic Fluorinative Aza-semipinacol Rearrangement.","Organic letters","2014","16","19","4988","4991","10.1021/ol5022355","","","1.54184","CuKα","","0.0387","0.0329","","","0.0858","0.0908","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517949","8.0593","0.0014","22.292","0.004","25.202","0.006","90","","90","","90","","4527.7","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F N2 O -","- C30 H23 F N2 O -","- C240 H184 F8 N16 O8 -","8","1","","Pusch, Stefan; Opatz, Till","A photochemical one-pot three-component synthesis of tetrasubstituted imidazoles.","Organic letters","2014","16","20","5430","5433","10.1021/ol502667h","","","0.71073","MoKα","","0.1532","0.056","","","0.1031","0.1359","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517964","17.435","0.004","15.662","0.003","24.139","0.005","90","","90","","90","","6592","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NiCl3(PPh3)ClPPh3","","","- C36 H30 Cl4 Ni P2 -","- C36 H30 Cl4 Ni P2 -","- C288 H240 Cl32 Ni8 P16 -","8","1","","Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.","Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl","Chem. Sci.","2015","6","2","917","","10.1039/C4SC02357A","","","0.71073","MoKα","","0.0527","0.0327","","","0.0649","0.072","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517971","15.9554","0.0003","11.7205","0.0002","16.839","0.0004","90","","90","","90","","3148.98","0.11","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Au Br N -","- C18 H15 Au Br N -","- C144 H120 Au8 Br8 N8 -","8","1","","Wu, Qian; Du, Chenglong; Huang, Yumin; Liu, Xingyan; Long, Zhen; Song, Feijie; You, Jingsong","Stoichiometric to catalytic reactivity of the aryl cycloaurated species with arylboronic acids: insight into the mechanism of gold-catalyzed oxidative C(sp2)‒H arylation","Chem. Sci.","2015","6","1","288","","10.1039/C4SC02070G","","x-ray","1.54184","CuKα","","0.0704","0.0677","","","0.167","0.1723","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518189","10.7295","0.0006","25.4389","0.0015","32.8409","0.0018","90","","90","","90","","8963.8","0.9","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C49 H66 O2 -","- C49 H66 O2 -","- C392 H528 O16 -","8","1","","Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai","Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2014","47","22","7789","","10.1021/ma502000y","","","0.71073","MoKα","","0.1178","0.0621","","","0.1561","0.177","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518195","37.202","0.003","8.9299","0.001","9.4735","0.0007","90","","90","","90","","3147.2","0.5","294.39","0.1","294.39","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C128 H152 N8 O24 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","Direct oxidative coupling of enamides and 1,3-dicarbonyl compounds: a facile and versatile approach to dihydrofurans, furans, pyrroles, and dicarbonyl enamides.","Organic letters","2014","16","22","5992","5995","10.1021/ol503009f","","","0.71073","MoKα","","0.1662","0.0821","","","0.1846","0.2311","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518289","14.348","0.0014","16.969","0.002","19.737","0.002","90","","90","","90","","4805.4","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H27 N -","- C32 H27 N -","- C256 H216 N8 -","8","1","","Gangadhararao, G.; Uruvakilli, Anasuyamma; Swamy, K. C. Kumara","Brønsted Acid Mediated Alkenylation and Copper-Catalyzed Aerobic Oxidative Ring Expansion/Intramolecular Electrophilic Substitution of Indoles with Propargyl Alcohols: A Novel One-Pot Approach to Cyclopenta[c]quinolines.","Organic letters","2014","16","23","6060","","10.1021/ol502783j","","","0.71073","MoKα","","0.1746","0.0619","","","0.0854","0.1162","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518315","17.061","0.0004","14.6879","0.0003","22.0163","0.0005","90","","90","","90","","5517.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cd N4 O5 -","- C29 H34 Cd N4 O5 -","- C232 H272 Cd8 N32 O40 -","8","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0661","0.033","","","0.0696","0.0825","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518322","11.4611","0.0008","8.8278","0.0006","28.757","0.002","90","","90","","90","","2909.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C128 H136 N24 O16 -","8","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.1201","0.0569","","","0.114","0.1427","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518430","16.33","0.013","15.14","0.013","17.416","0.015","90","","90","","90","","4306","6","300","2","300","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C216 H192 O24 -","8","1","","Seetha Lakshmi, K. C.; Krishnan, Jagadeesh; Sinu, C. R.; Varughese, Sunil; Nair, Vijay","N-heterocyclic carbene catalyzed annulation of enals to aurone analogs: synthesis of cyclopentene-fused spirobenzofuran-3-ones.","Organic letters","2014","16","24","6374","6377","10.1021/ol5031684","","","0.71073","MoKα","","0.1136","0.0666","","","0.1669","0.1994","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518447","9.9998","0.0006","20.6538","0.0012","31.3512","0.0018","90","","90","","90","","6475.1","0.7","15","2","15","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C67 F6 -","- C67 F6 -","- C536 F48 -","8","1","","San, Long K.; Bukovsky, Eric V.; Larson, Bryon W.; Whitaker, James B.; Deng, S. H. M.; Kopidakis, Nikos; Rumbles, Garry; Popov, Alexey A.; Chen, Yu-Sheng; Wang, Xue-Bin; Boltalina, Olga V.; Strauss, Steven H.","A faux hawk fullerene with PCBM-like properties","Chem. Sci.","2015","6","3","1801","","10.1039/C4SC02970D","","","0.41328","synchrotron","","0.0865","0.0732","","","0.1576","0.1633","","","","","","1.215","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518482","8.8127","0.001","13.2298","0.0012","32.5","0.003","90","","90","","90","","3789.2","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","20120034","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C192 H160 N16 O8 -","8","1","","Fan, Zhoulong; Song, Shanshan; Li, Wei; Geng, Kaijun; Xu, Youjun; Miao, Ze-Hong; Zhang, Ao","Rh(III)-Catalyzed Redox-Neutral C-H Activation of Pyrazolones: An Economical Approach for the Synthesis of N-Substituted Indoles.","Organic letters","2015","17","2","310","313","10.1021/ol503404p","","","0.71073","MoKα","","0.0945","0.058","","","0.1122","0.1267","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518512","13.2692","0.0012","19.8926","0.0016","20.979","0.0019","90","","90","","90","","5537.6","0.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Se(Tr5)]","","- C30 H35 N3 O Se Si -","- C30 H35 N3 O Se Si -","- C240 H280 N24 O8 Se8 Si8 -","8","1","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0325","0.0248","","","0.0584","0.0616","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518555","15.404","0.003","15.758","0.003","16.51","0.003","90","","90","","90","","4007.6","1.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H26 F6 K O6 P -","- C12 H26 F6 K O6 P -","- C96 H208 F48 K8 O48 P8 -","8","1","","Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.","The journal of physical chemistry. B","2015","119","4","1523","1534","10.1021/jp508100s","","","0.71075","MoKα","","","0.0656","","","","0.1761","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518587","18.6991","0.0013","16.4217","0.001","21.8753","0.0015","90","","90","","90","","6717.3","0.8","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C56 H92 Cl2 Co2 I2 N4 P4 Ti2 -","- C224 H368 Cl8 Co8 I8 N16 P16 Ti8 -","4","0.5","","Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes","Chem. Sci.","2015","6","3","2044","","10.1039/C4SC03772C","","","0.71073","MoKα","","0.0369","0.0246","","0.0573","0.0524","0.0573","","","","","","0.9674","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518718","16.759","0.004","7.4334","0.0018","30.141","0.007","90","","90","","90","","3754.9","1.5","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Organics","Organics","","- C18 H26 O4 Si -","- C18 H26 O4 Si -","- C144 H208 O32 Si8 -","8","1","","Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P.","Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade.","Organic letters","2015","17","4","790","793","10.1021/ol503498n","","","0.71073","MoKα","","0.0479","0.0388","","","0.0719","0.0773","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518735","10.981","0.002","16.009","0.0019","19.987","0.0018","90","","90","","90","","3513.6","0.8","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H34 N4 O4 -","- C46 H34 N4 O4 -","- C184 H136 N16 O16 -","4","0.5","","Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob","Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers.","The journal of physical chemistry. A","2015","119","10","1906","1916","10.1021/jp5122849","","","0.71073","MoKα","","0.0908","0.062","","","0.1469","0.1686","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518748","10.784","0.0017","9.6655","0.0016","28.858","0.005","90","","90","","90","","3007.9","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br N4 O2 -","- C15 H11 Br N4 O2 -","- C120 H88 Br8 N32 O16 -","8","1","","Chen, Yunfeng; Nie, Gang; Zhang, Qi; Ma, Shan; Li, Huan; Hu, Qinquan","Copper-Catalyzed [3 + 2] Cycloaddition/Oxidation Reactions between Nitro-olefins and Organic Azides: Highly Regioselective Synthesis of NO2-Substituted 1,2,3-Triazoles.","Organic letters","2015","17","5","1118","1121","10.1021/ol503687w","","","0.71073","MoKα","","0.0987","0.0498","","","0.1184","0.1363","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518770","11.2813","0.0006","14.1148","0.0007","24.5832","0.0014","90","","90","","90","","3914.5","0.4","180.01","0.1","180.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl4 N2 -","- C20 H16 Cl4 N2 -","- C160 H128 Cl32 N16 -","8","1","","Zhan, Ming; Zhang, Shaoguang; Huang, Zhe; Xi, Zhenfeng","Synthesis of α,α,α',α'-Tetrachloro-Δ(1)-bipyrrolines and 4,8-Dichloro-2,6-diazasemibuvallenes.","Organic letters","2015","17","4","1026","1029","10.1021/acs.orglett.5b00136","","","0.7107","MoKα","","0.0582","0.0361","","","0.0726","0.0821","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518908","34.006","0.002","7.6167","0.0005","36.832","0.002","90","","90","","90","","9540","1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C59 H61 Si2 -","- C59 H61 Si2 -","- C472 H488 Si16 -","8","1","","Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel","Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties","Chem. Sci.","2015","6","6","3402","","10.1039/C5SC00652J","","","0.71073","MoKα","","0.175","0.0778","","","0.1623","0.2072","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518941","8.4818","0.0005","10.9461","0.0008","30.035","0.002","90","","90","","90","","2788.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C112 H152 N8 O24 S8 -","8","1","","Druzhenko, Tetiana; Denisenko, Olexandr; Kheylik, Yuri; Zozulya, Sergey; Shishkina, Svitlana S.; Tolmachev, Andrei; Mykhailiuk, Pavel K.","Design, Synthesis, and Characterization of SO2-Containing Azabicyclo[3.n.1]alkanes: Promising Building Blocks for Drug Discovery.","Organic letters","2015","17","8","1922","1925","10.1021/acs.orglett.5b00608","","","0.71073","MoKα","","0.1063","0.0524","","","0.1226","0.1421","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519006","13.678","0.002","10.318","0.003","17.357","0.003","90","","90","","90","","2449.6","0.9","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H9 Al3 N O13 P3 -","- C2 H8 Al3 N O13 P3 -","- C16 H64 Al24 N8 O104 P24 -","8","1","","Soulard, M.; Patarin, J.; Marler, B.","Synthesis and structure of Mu-10 : a novel microporous hydroxyaluminophosphate (CH3)2NH2.Al3P3O12OH closely related to AlPO4-EN3","Solid State Sciences","1999","1","","37","53","","","x-ray","0.71073","MoKα","","","0.0422","","","0.1241","","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519082","14.586","0.003","14.973","0.003","15.218","0.003","90","","90","","90","","3323.6","1.2","","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H24 Cl N5 Ni O7 -","","","8","1","","Sanzenbacher, Ralf; Sotofte, Inger; Springborg, Johan","Nickel(II) Complexes with [2(4).3(1)]Adamanzane, 1,4,7,10-Tetraazabicyclo[5.5.3]pentadecane","Acta Chemica Scandinavica","1999","53","","457","464","","","x-ray","0.71069","MoKα","","","0.0409","","","0.0916","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1519098","5.6109","0.0007","8.1277","0.0008","31.205","0.003","90","","90","","90","","1423.1","0.3","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi Nb O8 Te2 -","- Bi Nb O8 Te2 -","- Bi8 Nb8 O64 Te16 -","8","1","","S. Blanchandin; J.C. Champarnaud-Mesjard; P. Thomas; B. Frit","Crystal structure of BiNbTe2O8","Solid State Sciences","2000","2","","223","228","","","x-ray","0.71073","MoKα","","","0.0512","","","0.0948","","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519147","8.813","0.007","15.0422","0.0005","31.232","0.01","90","","90","","90","","4140","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl2 N P Se Ti -","- C16 H30 Cl2 N P Se Ti -","- C128 H240 Cl16 N8 P8 Se8 Ti8 -","8","1","","Bochmann, Manfred; Hursthouse, Michael B.; Coles, Simon J.","C16H30Cl2NPSeTi","Crystal Structure Report Archive","1994","","","1191","","","","","0.71069","MoKα","","0.1173","0.0495","","","0.1003","0.1094","","","","","","0.813","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1519150","13.233","0.007","17.2161","0.001","35.163","0.011","90","","90","","90","","8011","5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H66 Cl2 N2 P2 Se2 Ti -","- C35 H66 Cl2 N2 P2 Se2 Ti -","- C280 H528 Cl16 N16 P16 Se16 Ti8 -","8","1","","Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.","C28H58Cl2N2P2Se2Ti, C7H8","Crystal Structure Report Archive","1994","","","1196","","","","","0.71069","MoKα","","0.0763","0.0433","","","0.088","0.0959","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519177","7.594","0.003","15.177","0.0012","31.13","0.02","90","","90","","90","","3588","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H1.61 Cl Fe O2 -","- C192 H12.88 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C25H15ClFeO2","Crystal Structure Report Archive","1997","","","1039","","","","","0.71069","MoKα","","0.3225","0.0375","","","0.0572","0.106","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519180","7.23","0.001","15.594","0.003","19.618","0.004","90","","90","","90","","2211.8","0.7","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cl2 N4 -","- C10 H8 Cl2 N4 -","- C80 H64 Cl16 N32 -","8","1","","Blake, Alexander J.; Light, Mark E.; Hursthouse, Michael B.","C10H8Cl2N4","Crystal Structure Report Archive","1997","","","1206","","","","","0.71073","MoKα","","0.0815","0.0443","","","0.1025","0.1083","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519181","7.594","0.003","15.177","0.0012","31.134","0.016","90","","90","","90","","3588","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cl Fe O2 -","- C24 H15 Cl Fe O2 -","- C192 H120 Cl8 Fe8 O16 -","8","1","","Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.","C24H15ClFeO2","Crystal Structure Report Archive","1997","","","1016","","","","","0.71069","MoKα","","0.3233","0.0375","","","0.0572","0.103","","","","","","0.465","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519183","10.7966","0.0008","17.6155","0.0006","17.888","0.005","90","","90","","90","","3402.1","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C192 H144 Fe8 -","8","1","","Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.","C24H18Fe","Crystal Structure Report Archive","1997","","","765","","","","","0.71069","MoKα","","0.121","0.033","","0.0662","0.0501","","","","0.562","0.781","0.781","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519208","14.6","0.003","5.572","0.001","18.483","0.004","90","","90","","90","","1503.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","170","","","","","0.71073","MoKα","","0.0426","0.0339","","","0.0892","0.0949","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519216","14.784","0.001","5.67","0.003","18.492","0.004","90","","90","","90","","1550.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","166","","","","","0.71073","MoKα","","0.0594","0.0402","","0.118","0.1075","","","","1.064","1.147","1.147","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519228","14.784","0.001","5.67","0.003","18.492","0.004","90","","90","","90","","1550.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.","4-Amino-benzenesulfonamide","Crystal Structure Report Archive","1999","","","173","","","","","0.71073","MoKα","","0.0594","0.0402","","0.118","0.1075","","","","1.064","1.147","1.147","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519237","8.8098","0.0018","10.574","0.002","24.736","0.005","90","","90","","90","","2304.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C96 H96 N16 O16 S8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","N-(4-Methyl-1H-pyridin-2-ylidene)-benzenesulfonamide","Crystal Structure Report Archive","2000","","","177","","","","","0.71073","MoKα","","0.0666","0.0441","","","0.1096","0.1208","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519268","7.515","0.0002","9.3921","0.0002","30.7365","0.0002","90","","90","","90","","2169.43","0.08","150","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C88 H120 B8 O16 -","8","1","","Gelbrich, Thomas; Sampson, David; Hursthouse, Michael B.","(E)-5-Phenyl-pent-1-enyl-boronic acid","Crystal Structure Report Archive","2000","","","528","","","","","","","","0.1058","0.0547","","","0.1241","0.1393","","","","","","0.92","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519319","19.1002","0.0002","21.7245","0.0003","29.1929","0.0004","90","","90","","90","","12113.4","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H60 Cl13 N O P2 Ru2 -","- C55 H60 Cl13 N O P2 Ru2 -","- C440 H480 Cl104 N8 O8 P16 Ru16 -","8","1","","Smith, Matin, B.; Gelbrich, Thomas; Hursthouse, Michael B.","C52H57NOP2Cl4Ru2 . 3CDCl3","Crystal Structure Report Archive","2001","","","835","","","","","0.71073","MoKα","","0.0838","0.049","","","0.0932","0.0995","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519327","7.4181","0.0001","16.6837","0.0003","27.9934","0.0005","90","","90","","90","","3464.5","0.1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O9 -","- C21 H16 O9 -","- C168 H128 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-(methylenedioxy-O,O')-3- (3,4-methylenedioxyphenyl)indan-2-carboxylate","Crystal Structure Report Archive","2001","","","69","","","","","0.71073","MoKα","","0.1285","0.0501","","","0.0858","0.1049","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519328","14.1493","0.0004","17.3003","0.0006","17.434","0.0007","90","","90","","90","","4267.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O9 -","- C23 H24 O9 -","- C184 H192 O72 -","8","1","","Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A.","Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-dimethoxy-3-(3,4-dimethyloxyphenyl) indan-2-carboxylate","Crystal Structure Report Archive","2001","","","70","","","","","0.71073","MoKα","","0.0881","0.0468","","","0.1039","0.1213","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519396","20.457","0.003","20.307","0.003","25.358","0.003","90","","90","","90","","10534","3","105","2","105","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H83 K N3 O7.5 Si6 Th -","- C32 H78 K N3 O7.5 Si6 Th -","- C256 H624 K8 N24 O60 Si48 Th8 -","8","1","","Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.","Thorium‒ligand multiple bonds via reductive deprotection of a trityl group","Chem. Sci.","2015","6","7","3891","","10.1039/C5SC01248A","","","0.71073","MoKα","","0.1507","0.1001","","","0.1885","0.2046","","","","","","1.207","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519447","6.3542","0.0004","7.6624","0.0006","49.231","0.003","90","","90","","90","","2397","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","","Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A.","Structural insights into the hexamorphic system of an isoniazid derivative","CrystEngComm","2015","17","28","5143","","10.1039/C5CE00275C","","","0.71073","MoKα","","0.0566","0.0425","","","0.113","0.1317","","","","","","1.194","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519483","12.1886","0.0002","9.5923","0.0001","31.3227","0.0005","90","","90","","90","","3662.15","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H27 Fe I N2 -","- C17 H27 Fe I N2 -","- C136 H216 Fe8 I8 N16 -","8","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.","C17H27FeIN2","Crystal Structure Report Archive","2002","","","909","","","","","0.71073","MoKα","","0.0363","0.0291","","","0.0588","0.0607","","","","","","1.147","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519488","6.0816","0.0004","24.8503","0.0016","31.12","0.003","90","","90","","90","","4703.2","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H26 Fe N2 O3 -","- C30 H26 Fe N2 O3 -","- C240 H208 Fe8 N16 O24 -","8","1","","Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.","2-(N-Ferrocenylmethylcarbamoyl)-5-(methoxycarbonyl)-3,4-diphenylpyrrole","Crystal Structure Report Archive","2002","","","25","","","","","0.71073","MoKα","","0.1185","0.0573","","","0.1046","0.1243","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519508","10.6683","0.0003","10.8869","0.0003","29.919","0.0008","90","","90","","90","","3474.93","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C144 H160 N32 O16 -","8","1","","Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B.","C18H20N4O2","Crystal Structure Report Archive","2002","","","940","","","","","0.71073","MoKα","","0.0844","0.0452","","","0.0947","0.1103","","","","","","0.966","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519509","16.1973","0.0005","9.3378","0.0002","34.0104","0.0012","90","","90","","90","","5144","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H31 F6 N5 O4 P -","- C22 H31 F6 N5 O4 P -","- C176 H248 F48 N40 O32 P8 -","8","1","","Light, Mark E.; Camiolo, S.; Navakhun, K.; Gale, Phil A.; Hursthouse, Michael B.","3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(2-amino-ethyl)-amide] hexafluorophosphate dihydrate","Crystal Structure Report Archive","2002","","","19","","","","","0.71073","MoKα","","0.1733","0.0651","","","0.1374","0.176","","","","","","0.927","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519518","17.4597","0.0007","17.3538","0.0007","28.3363","0.0014","90","","90","","90","","8585.7","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 O18 Si12 -","- C24 H36 O18 Si12 -","- C192 H288 O144 Si96 -","8","1","","Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B.","C24H36O18Si12","Crystal Structure Report Archive","2002","","","934","","","","","0.71073","MoKα","","0.3015","0.1434","","","0.3186","0.3783","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519528","16.6539","0.0004","8.8554","0.0002","56.7289","0.0017","90","","90","","90","","8366.2","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H33 Br N2 O -","- C20 H33 Br N2 O -","- C160 H264 Br8 N16 O8 -","8","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C20H33BrN2O","Crystal Structure Report Archive","2002","","","998","","","","","0.71073","MoKα","","0.1076","0.056","","","0.1272","0.1488","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519539","14.0392","0.0003","13.8109","0.0003","16.9908","0.0004","90","","90","","90","","3294.41","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","1","","Cunnigham, Ian; Horton, Peter N.; Hursthouse, Michael B.","N-methacryloyl-N-5,6,7,8-tetrahydronaphthalen-1-ylbenzamide","Crystal Structure Report Archive","2003","","","886","","","","","0.71073","MoKα","","0.07","0.0471","","","0.1025","0.1136","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519572","21.0514","0.0003","7.0276","0.0001","24.2942","0.0003","90","","90","","90","","3594.1","0.08","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H10 F4 I2 N2 O2 S -","- C13 H10 F4 I2 N2 O2 S -","- C104 H80 F32 I16 N16 O16 S8 -","8","1","","Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.","C13H10F4I2N2O2S","Crystal Structure Report Archive","2003","","","900","","","","","0.71073","MoKα","","0.0369","0.0322","","","0.0761","0.0785","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519594","16.4963","0.0018","8.325","0.003","20.061","0.006","90","","90","","90","","2755","1.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C112 H160 O40 -","8","1","","Rousay, Esther; Frey, Jeremy G.; Coles, Simon J.; Hursthouse, Michael B.","6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin","Crystal Structure Report Archive","2004","","","145","","","","","0.71073","MoKα","","0.0977","0.0487","","","0.1008","0.1192","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519632","16.6109","0.0004","8.7885","0.0002","17.8015","0.0005","90","","90","","90","","2598.75","0.11","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo O3 -","- C15 H12 Mo O3 -","- C120 H96 Mo8 O24 -","8","1","","Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E.","Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts","Catal. Sci. Technol.","2015","5","10","4772","","10.1039/C5CY00447K","","x-ray","0.71073","MoKα","","0.0237","0.0213","","","0.0559","0.0581","","","","","","1.051","","","","has coordinates","171425","2020-10-21","18:00:00",""
"1519733","9.2017","0.0001","16.0731","0.0003","18.2782","0.0004","90","","90","","90","","2703.34","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H15 F6 N2 P -","- C11 H15 F6 N2 P -","- C88 H120 F48 N16 P8 -","8","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C11H15F6N2P","Crystal Structure Report Archive","2004","","","967","","","","","0.71073","MoKα","","0.0505","0.0431","","","0.1204","0.1265","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519750","7.747","0.009","15.519","0.018","25.745","0.008","90","","90","","90","","3095","5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N2 Ru -","- C16 H24 N2 Ru -","- C128 H192 N16 Ru8 -","8","1","","Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.","C16H24N2Ru","Crystal Structure Report Archive","2005","","","1103","","","","","0.71073","MoKα","","0.2192","0.1089","","","0.1905","0.2333","","","","","","1.114","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519757","12.6226","0.0008","12.3709","0.0009","14.1124","0.001","90","","90","","90","","2203.7","0.3","298.2","0.1","298.2","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br Cl2 N2 O -","- C10 H7 Br Cl2 N2 O -","- C80 H56 Br8 Cl16 N16 O8 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.07","0.0412","","","0.1007","0.1141","","","","","","1.03","","","","has coordinates","154781","2020-10-21","18:00:00",""
"1519761","14.443","0.002","7.5861","0.0012","21.306","0.003","90","","90","","90","","2334.4","0.6","293","0.2","293","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br2 F N2 -","- C11 H9 Br2 F N2 -","- C88 H72 Br16 F8 N16 -","8","1","","Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz","One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles.","Organic letters","2015","17","11","2856","2859","10.1021/acs.orglett.5b01317","","","0.71073","MoKα","","0.2105","0.0649","","","0.1359","0.1945","","","","","","0.993","","","","has coordinates,has disorder","154781","2020-10-21","18:00:00",""
"1519805","14.2845","0.0008","5.4226","0.0002","22.7593","0.0014","90","","90","","90","","1762.92","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O S -","- C10 H9 N O S -","- C80 H72 N8 O8 S8 -","8","1","","Huth, Susanne L.; Hursthouse, Michael B.","(6-Thien-2-ylpyrid-3-yl)methanol","Crystal Structure Report Archive","2007","","","373","","","","","0.71073","MoKα","","0.2077","0.1062","","","0.1572","0.1995","","","","","","1.179","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519806","13.0538","0.0003","15.5288","0.0003","19.1088","0.0004","90","","90","","90","","3873.54","0.14","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Cl N O2 S -","- C20 H30 Cl N O2 S -","- C160 H240 Cl8 N8 O16 S8 -","8","1","","Stephenson, Richard A; Dobbs, Adrian; Hursthouse, Michael B.","C20H30Cl1N1O2S1","Crystal Structure Report Archive","2007","","","388","","","","","0.71073","MoKα","","0.055","0.0406","","","0.1017","0.1096","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519818","11.4593","0.0002","16.8538","0.0002","19.0612","0.0002","90","","90","","90","","3681.34","0.09","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Cl4 N3 O2 P3 -","- C9 H18 Cl4 N3 O2 P3 -","- C72 H144 Cl32 N24 O16 P24 -","8","1","","Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.","C9H18Cl4N3O2P3","Crystal Structure Report Archive","2007","","","317","","","","","0.71073","MoKα","","0.0383","0.031","","","0.0779","0.0821","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519965","13.3732","0.0016","8.5025","0.0009","27.693","0.003","90","","90","","90","","3148.9","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Di(1-butylammonium) DL-tartrate","","- C12 H28 N2 O6 -","- C12 H28 N2 O6 -","- C96 H224 N16 O48 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Di(1-butylammonium) DL-tartrate","Crystal Structure Report Archive","2008","","","580","","","","","0.71073","MoKα","","0.2187","0.1244","","","0.1932","0.2353","","","","","","1.145","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519990","12.3344","0.0004","13.3334","0.0002","15.9953","0.0004","90","","90","","90","","2630.58","0.11","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H8 Cl4 N3 O2 P3 -","- C4 H8 Cl4 N3 O2 P3 -","- C32 H64 Cl32 N24 O16 P24 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C4H8Cl4N3O2P3","Crystal Structure Report Archive","2008","","","485","","","","","0.71073","MoKα","","0.0489","0.0318","","","0.0726","0.0804","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520042","11.755","0.003","20.78","0.005","21.031","0.005","90","","90","","90","","5137","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Br2 N2 O4 -","- C26 H22 Br2 N2 O4 -","- C208 H176 Br16 N16 O32 -","8","1","","Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong","Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs","Chem. Sci.","2015","6","8","4690","","10.1039/C5SC01226K","","","0.71073","MoKα","","0.1609","0.0552","","","0.1063","0.1446","","","","","","0.994","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520065","20.8528","0.0008","11.8997","0.0005","22.661","0.0009","90","","90","","90","","5623.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H34 F3 Ir N2 O4 -","- C29 H34 F3 Ir N2 O4 -","- C232 H272 F24 Ir8 N16 O32 -","8","1","","Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S.","Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes","Organometallics","2015","34","12","2879","","10.1021/acs.organomet.5b00200","","","0.71073","MoKα","","0.0879","0.0603","","","0.1303","0.1436","","","","","","1.034","","","","has coordinates","140194","2020-10-21","18:00:00",""
"1520066","20.532","0.003","11.9277","0.0018","22.489","0.003","90","","90","","90","","5507.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Ir N2 O4 -","- C29 H37 Ir N2 O4 -","- C232 H296 Ir8 N16 O32 -","8","1","","Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S.","Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes","Organometallics","2015","34","12","2879","","10.1021/acs.organomet.5b00200","","","0.71073","MoKα","","0.0617","0.0437","","","0.1039","0.1153","","","","","","1.011","","","","has coordinates","140194","2020-10-21","18:00:00",""
"1520086","28.3983","0.0004","17.1091","0.0003","23.8614","0.0006","90","","90","","90","","11593.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H129 Co2 Dy5 N10 O37 -","- C92 H129 Co2 Dy5 N10 O37 -","- C368 H516 Co8 Dy20 N40 O148 -","4","0.5","","Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E.","A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12788","12795","10.1039/c5dt01813g","","x-ray","0.71073","MoKα","","0.1005","0.0911","","","0.2129","0.2165","","","","","","1.162","","","","has coordinates,has disorder","143681","2020-10-21","18:00:00",""
"1520144","13.0288","0.0004","12.2797","0.0004","18.0331","0.0005","90","","90","","90","","2885.11","0.15","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C3 H4 Br Cl4 N4 O4 P3 -","- C3 H4 Br Cl4 N4 O4 P3 -","- C24 H32 Br8 Cl32 N32 O32 P24 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.","C3H4BrCl4N4O4P3","Crystal Structure Report Archive","2008","","","487","","","","","0.71073","MoKα","","0.0559","0.0384","","","0.0902","0.0981","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520181","10.5132","0.0004","9.4393","0.0003","15.1635","0.0005","90","","90","","90","","1504.78","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1362","","","","","0.71073","MoKα","","0.0474","0.0394","","","0.1005","0.1056","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520182","12.1766","0.0004","9.5024","0.0003","12.9638","0.0003","90","","90","","90","","1500","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-fluorophenyl)acetamide","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-fluorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1373","","","","","0.71073","MoKα","","0.0555","0.0437","","","0.0985","0.1068","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520186","9.3819","0.0002","9.2804","0.0002","20.7436","0.0005","90","","90","","90","","1806.1","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-bromophenyl)propanamide","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C72 H80 Br8 N8 O8 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-bromophenyl)propanamide","Crystal Structure Report Archive","2008","","","537","","","","","0.71073","MoKα","","0.0419","0.0294","","","0.0579","0.0644","","","","","","1.086","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520204","14.7295","0.0004","14.7023","0.0004","26.7711","0.0008","90","","90","","90","","5797.5","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C288 H224 N64 O16 -","16","2","","Collins, Ian; Smyth, Lynette A.; Horton, Peter N.; Hursthouse, Michael B.","3-Amino-2,6-diphenyl-2,5-dihydro-pyrazolo[4,3-c]pyridin-4-one","Crystal Structure Report Archive","2008","","","444","","","","","0.71073","MoKα","","0.0912","0.0654","","","0.1202","0.1346","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520243","11.9225","0.0007","7.2026","0.0002","17.4291","0.001","90","","90","","90","","1496.69","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-aminophenyl)acetamide","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-aminophenyl)acetamide","Crystal Structure Report Archive","2008","","","1391","","","","","0.71073","MoKα","","0.0888","0.0526","","","0.1077","0.1238","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520249","11.9225","0.0007","7.2026","0.0002","17.4291","0.001","90","","90","","90","","1496.69","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-aminophenyl)acetamide","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-aminophenyl)acetamide","Crystal Structure Report Archive","2008","","","546","","","","","0.71073","MoKα","","0.0871","0.0512","","","0.1061","0.1223","","","","","","1.035","","","","has coordinates","137868","2020-10-21","18:00:00",""
"1520251","9.663","0.0003","9.2888","0.0002","19.8221","0.0005","90","","90","","90","","1779.19","0.08","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[4-(trifluoromethyl)phenyl]acetamide","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[4-(trifluoromethyl)phenyl]acetamide","Crystal Structure Report Archive","2008","","","1384","","","","","0.71073","MoKα","","0.0728","0.0551","","","0.1389","0.1479","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520256","9.1172","0.0002","7.495","0.0002","24.6628","0.0005","90","","90","","90","","1685.29","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-methoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","1392","","","","","0.71073","MoKα","","0.0459","0.0384","","","0.099","0.1044","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520259","9.1172","0.0002","7.495","0.0002","24.6628","0.0005","90","","90","","90","","1685.29","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","","Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.","N-(4-methoxyphenyl)acetamide","Crystal Structure Report Archive","2008","","","543","","","","","0.71073","MoKα","","0.0459","0.0383","","","0.0994","0.1049","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520294","7.3965","0.0003","14.3362","0.0004","14.5021","0.0004","90","","90","","90","","1537.77","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C56 H80 Cl8 N8 -","8","1","","Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V.","Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies.","The journal of physical chemistry. A","2015","119","18","4108","4117","10.1021/acs.jpca.5b02102","","","0.71073","MoKα","","0.0444","0.0401","","","0.1077","0.1117","","","","","","1.034","","","","has coordinates","138012","2020-10-21","18:00:00",""
"1520315","16.8311","0.0007","9.1985","0.0003","18.0999","0.0008","90","","90","","90","","2802.24","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 B F2 N O4 -","- C12 H20 B F2 N O4 -","- C96 H160 B8 F16 N8 O32 -","8","1","","Roßbach, Jan; Harms, Klaus; Koert, Ulrich","α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.","Organic letters","2015","17","12","3122","3125","10.1021/acs.orglett.5b01427","","","0.71073","MoKα","","0.049","0.0374","","","0.0829","0.0885","","","","","","1.026","","","","has coordinates,has disorder","141402","2020-10-21","18:00:00",""
"1520363","6.87","0.0003","23.3867","0.0014","24.351","0.0015","90","","90","","90","","3912.4","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N4 O7 Si -","- C15 H19 Cl N4 O7 Si -","- C120 H152 Cl8 N32 O56 Si8 -","8","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C15H19ClN4O7Si","Crystal Structure Report Archive","2009","","","711","","","","","0.71073","MoKα","","0.194","0.1744","","","0.3437","0.3534","","","","","","1.271","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1520391","16.8121","0.0012","19.229","0.002","22.968","0.003","90","","90","","90","","7425.1","1.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H60 Cl Fe O4 P2 Rh -","- C37 H60 Cl Fe O4 P2 Rh -","- C296 H480 Cl8 Fe8 O32 P16 Rh8 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Butler, I. R.","C37H60ClFeO4P2Rh","Crystal Structure Report Archive","2009","","","654","","","","","0.71073","MoKα","","0.0491","0.034","","","0.0902","0.1007","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520400","10.5174","0.0002","9.4252","0.0004","16.2656","0.0006","90","","90","","90","","1612.39","0.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-chlorophenyl)acetamide","Crystal Structure Report Archive","2009","","","1368","","","","","0.71073","MoKα","","0.049","0.0389","","","0.092","0.0966","","","","","","1.106","","","","has coordinates","138894","2020-10-21","18:00:00",""
"1520419","11.8719","0.0003","15.0801","0.0003","15.5429","0.0003","90","","90","","90","","2782.64","0.1","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl N2 O2 Si -","- C13 H15 Cl N2 O2 Si -","- C104 H120 Cl8 N16 O16 Si8 -","8","1","","Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.","C13H15ClN2O2Si","Crystal Structure Report Archive","2009","","","651","","","","","0.71073","MoKα","","0.0598","0.0414","","","0.1006","0.1105","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520426","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C20H17FeNO","Crystal Structure Report Archive","2009","","","648","","","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.1661","","","","","","1.153","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520435","15.5741","0.0006","14.8047","0.0004","18.4602","0.0008","90","","90","","90","","4256.4","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.5 H9.5 N4.5 O0.5 Zn -","- C7.5 H9.5 N4.5 O0.5 Zn -","- C120 H152 N72 O8 Zn16 -","16","2","","Cheetham, A.K.; Bennett, T.D.; Callear, Samantha K.; Hursthouse, Michael B.","C7.5H9.5N4.5O0.5Zn","Crystal Structure Report Archive","2009","","","625","","","","","0.71073","MoKα","","0.0889","0.0473","","","0.0994","0.1143","","","","","","1.014","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520449","7.38023","0.00019","12.875","0.0003","31.8273","0.0008","90","","90","","90","","3024.24","0.13","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O2 S Se -","- C16 H15 N O2 S Se -","- C128 H120 N8 O16 S8 Se8 -","8","1","","Siva Reddy, Alla; Kumara Swamy, K. C.","Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams.","Organic letters","2015","17","12","2996","2999","10.1021/acs.orglett.5b01287","","","1.54184","CuKα","","0.0425","0.0404","","","0.1104","0.1125","","","","","","1.092","","","","has coordinates","141405","2020-10-21","18:00:00",""
"1520474","17.3279","0.0002","7.3648","0.0001","20.9885","0.0003","90","","90","","90","","2678.48","0.06","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Fe N2 -","- C16 H16 Fe N2 -","- C128 H128 Fe8 N16 -","8","1","","Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Ferrocene complex C16H16FeN2","Crystal Structure Report Archive","2010","","","1277","","","","","0.71073","MoKα","","0.0386","0.0328","","","0.0773","0.0813","","","","","","1.068","","","","has coordinates","138995","2020-10-21","18:00:00",""
"1520492","7.24","0.006","11.439","0.01","29.79","0.03","90","","90","","90","","2467","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H10 Cl N3 O2 -","- C13 H10 Cl N3 O2 -","- C104 H80 Cl8 N24 O16 -","8","1","","Xia, Guomin; Ruan, Chengyan; Wang, Hongming","Highly sensitive detection of carbon dioxide by a pyrimido[1,2-a]benzimidazole derivative: combining experimental and theoretical studies.","The Analyst","2015","140","15","5099","5104","10.1039/c5an00947b","","","0.71073","MoKα","","0.0435","0.03","","","0.0756","0.0823","","","","","","1.019","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1520505","7.2355","0.0005","20.9295","0.0019","23.0167","0.0015","90","","90","","90","","3485.5","0.5","293.1","0.12","293.1","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 I N O -","- C20 H16 I N O -","- C160 H128 I8 N8 O8 -","8","1","","Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min","Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization.","Organic letters","2015","17","12","3186","3189","10.1021/acs.orglett.5b01590","","x-ray","0.71073","MoKα","","0.1076","0.0639","","","0.1407","0.1839","","","","","","1.032","","","","has coordinates","140275","2020-10-21","18:00:00",""
"1520566","20.6289","0.0011","22.2856","0.0013","24.1696","0.0014","90","","90","","90","","11111.4","1.1","100","2","99.96","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H55 F9 O16 S3 -","- C51 H55 F9 O16 S3 -","- C408 H440 F72 O128 S24 -","8","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","0.71073","MoKα","","0.1801","0.1169","","","0.3006","0.3487","","","","","","1.093","","","","has coordinates,has disorder","140261","2020-10-21","18:00:00",""
"1520574","7.4565","0.0001","18.3137","0.0002","20.6855","0.0003","90","","90","","90","","2824.73","0.06","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-methoxyphenyl)-3-methyl-2-phenylpyridine","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.","Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.","Organic letters","2015","17","13","3222","3225","10.1021/acs.orglett.5b01312","","","0.71073","MoKα","","0.0604","0.0421","","0.1211","0.102","0.1211","","","","","","0.9741","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520605","22.958","0.007","16.139","0.004","10.672","0.005","90","","90","","90","","3954","2","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Mo O6 -","","","8","1","","Lehtonen, Ari; Sillanpaa, Reijo","Dioxomolybdenum(VI) Complexes of Chelating Alkoxides","Acta Chemica Scandinavica","1999","53","","1078","1082","10.3891/acta.chem.scand.53-1078","","x-ray","0.71069","MoKα","","","0.042","","","0.075","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1520624","18.6017","0.0003","18.6158","0.0003","19.1084","0.0003","90","","90","","90","","6616.96","0.18","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H64 F N O4 -","- C28 H64 F N O4 -","- C224 H512 F8 N8 O32 -","8","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","0.71073","MoKα","","0.0558","0.0427","","0.1038","0.0979","0.1038","","","","","","0.9864","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520633","11.7745","0.0002","15.3391","0.0003","24.3582","0.0004","90","","90","","90","","4399.34","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","CWS-621","","","- C22 H21 Br N2 O3 S2 -","- C22 H21 Br N2 O3 S2 -","- C176 H168 Br8 N16 O24 S16 -","8","1","","Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho","Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines.","Organic letters","2015","17","13","3330","3333","10.1021/acs.orglett.5b01553","","","0.71073","","","0.055","0.0357","","","0.079","0.0874","","","","","","1.033","","","","has coordinates","140262","2020-10-21","18:00:00",""
"1520660","9.0806","0.0004","15.5457","0.0006","23.2185","0.0009","90","","90","","90","","3277.6","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5","","","- C16 H10 Cl2 I2 -","- C16 H10 Cl2 I2 -","- C128 H80 Cl16 I16 -","8","1","","Sproul, Kyle C.; Chalifoux, Wesley A.","Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl.","Organic letters","2015","17","13","3334","3337","10.1021/acs.orglett.5b01558","","","0.71073","MoKα","","0.0277","0.0255","","","0.0608","0.0617","","","","","","1.174","","","","has coordinates","152908","2020-10-21","18:00:00",""
"1520667","21.4391","0.0003","21.7284","0.0002","36.5231","0.0005","90","","90","","90","","17013.8","0.4","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H142 Ge2 Si14 -","- C64 H142 Ge2 Si14 -","- C512 H1136 Ge16 Si112 -","8","1","","Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro","Reaction of a diaryldigermyne with ethylene","Chem. Sci.","2015","6","10","5526","","10.1039/C5SC01266J","","","0.71075","MoKα","","0.078","0.0562","","","0.1454","0.1633","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520685","15.5081","0.0014","11.7102","0.0009","20.245","0.002","90","","90","","90","","3676.6","0.6","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 Cl O4 -","- C21 H21 Cl O4 -","- C168 H168 Cl8 O32 -","8","1","","Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S.","Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols.","Organic letters","2015","17","14","3482","3485","10.1021/acs.orglett.5b01541","","","0.71073","MoKα","","0.1068","0.0502","","","0.0832","0.0996","","","","","","0.999","","","","has coordinates","154783","2020-10-21","18:00:00",""
"1520696","9.7137","0.0007","21.2283","0.0015","30.357","0.002","90","","90","","90","","6259.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","man666.01","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C328 H256 N16 O8 -","8","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0828","0.0445","","","0.1081","0.1271","","","","","","1.016","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520726","21.512","0.01","10.424","0.005","40.881","0.018","90","","90","","90","","9167","7","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H42 F6 N6 O7 S2 -","- C44 H42 F6 N6 O7 S2 -","- C352 H336 F48 N48 O56 S16 -","8","1","","Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An","Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids.","Organic letters","2015","17","14","3442","3445","10.1021/acs.orglett.5b01450","","","0.71073","MoKα","","0.243","0.1095","","","0.231","0.2997","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520728","10.3059","0.0007","20.6482","0.0013","25.5756","0.0017","90","","90","","90","","5442.4","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","QY614","Doyle-Quian QY614","","- C25 H34 N2 O9 Si -","- C25 H34 N2 O9 Si -","- C200 H272 N16 O72 Si8 -","8","1","","Cheng, Qing-Qing; Qian, Yu; Zavalij, Peter Y.; Doyle, Michael P.","Lewis Acid/Rhodium-Catalyzed Formal [3 + 3]-Cycloaddition of Enoldiazoacetates with Donor-Acceptor Cyclopropanes.","Organic letters","2015","17","14","3568","3571","10.1021/acs.orglett.5b01674","","","0.71073","MoKα","","0.0387","0.0329","","","0.0648","0.0666","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520929","9.466","","12.268","","19.096","","90","","90","","90","","2217.6","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Cu (C3 H6 (N H2)2)) (Ni (C N)4)","","- C7 H10 Cu N6 Ni -","- C7 Cu N6 Ni -","- C56 Cu8 N48 Ni8 -","8","1","","Cernak, J.; Lipkowski, J.","Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1999","130","","1195","1206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521911","8.694","","9.248","","16.649","","90","","90","","90","","1338.61","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tl Cu2 (P2 O7)","","- Cu2 O7 P2 Tl -","- Cu2 O7 P2 Tl -","- Cu16 O56 P16 Tl8 -","8","1","","Schwunck, H.M.; Moser, P.; Jung, W.","Tl Cu(I) Cu(II) P2 O7 mit Kupfer in gemischter Valenz - ein Zwischenprodukt bei der Oxidation einer Tl / Cu / P Legierung mit Sauerstoff","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","463","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522000","28.19699","","28.23499","","28.16089","","90","","90","","90","","22420.1","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Sm2.75 C60","","- C60 Sm2.75 -","- C60 Sm2.75 -","- C1920 Sm88 -","32","4","","Sun, Z.; Chen, X.H.; Takenobu, T.; Iwasa, Y.","Structure and Raman behaviour of Sm2.75 C60","Journal of Physics: Condensed Matter","2000","12","","8919","8926","","","","","","","","","","","","","","","","","","","","","","has coordinates","142219","2020-10-21","18:00:00",""
"1522123","5.51","","11.07","","15.81","","90","","90","","90","","964.342","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K Ga O2","","- Ga K O2 -","- Ga K O2 -","- Ga16 K16 O32 -","16","2","","Vielhaber, E.; Hoppe, R.","Oxogallate der Alkalimetalle","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","369","","14","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523950","9.14986","","12.209","","6.58353","","90","","90","","90","","735.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ni (I O3)2 (H2 O)2","","- H4 I2 Ni O8 -","- H4 I2 Ni O8 -","- H16 I8 Ni4 O32 -","4","0.5","","Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A.","Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I","Journal of Chemical Physics","1973","59","","2007","2018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524479","6.492","","12.24","","21.33","","90","","90","","90","","1694.93","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 Yb (N H2)6","","- H12 N6 Na3 Yb -","- H12 N6 Na3 Yb -","- H96 N48 Na24 Yb8 -","8","1","","Hadenfeldt, C.; Jacobs, H.","Darstellung, Eigenschaften und Kristallstruktur von Na3 Yb (N H2)6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1972","393","","111","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1525567","12.115","","19.708","","10.11","","90","","90","","90","","2413.89","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","H Cl O4 (H2 O)3.5","","- Cl H8 O7.5 -","- Cl H8 O7.5 -","- Cl16 H128 O120 -","16","2","","Almloef, J.","Hydrogen Bond Studies. 72. The crystal structure of H Cl O4 (H2 O)3.5","Chemica Scripta","1973","3","","73","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525580","14.259","","14.234","","14.238","","90","","90","","90","","2889.78","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na Zn (P O3)3","","- Na O9 P3 Zn -","- Na O9 P3 Zn -","- Na16 O144 P48 Zn16 -","16","2","","Aouad, H.; Maazaz, M.; Belharouak, I.","Crystal structure and luminescence properties of silver(I) doped polyphosphate Na Zn (P O3)3","Materials Research Bulletin","2000","35","","2457","2467","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525682","5.1477","","5.4425","","14.6977","","90","","90","","90","","411.776","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Rh2 O3","","- O3 Rh2 -","- O3 Rh2 -","- O24 Rh16 -","8","1","","Biesterbos, J.W.M.; Hornstra, J.","The Crystal Structure of the high-temperature low-pressure Form of Rh2 O3","Journal of the Less-Common Metals","1973","30","","121","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","146710","2020-10-21","18:00:00",""
"1525973","9.158","","12.206","","6.584","","90","","90","","90","","735.976","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ni (I O3)2 (D2 O)2","","- D4 I2 Ni O8 -","- D4 I2 Ni O8 -","- D16 I8 Ni4 O32 -","4","0.5","","Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O.","The crystallographic and magnetic structure of Ni (I O3)2 (H2 O)2","Physica (Utrecht) (18,1952-78,1974)","1972","57","","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526014","10.4971","","11.0683","","16.211","","90","","90","","90","","1883.48","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Nd3 N) Cl6","","- Cl6 N Nd3 -","- Cl6 N Nd3 -","- Cl48 N8 Nd24 -","8","1","","Meyer, M.; Lissner, F.; Schleid, T.","Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N Nd4)(9+)-Tetraeder","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","1205","1210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526044","5.3945","","5.5999","","11.7653","","90","","90","","90","","355.414","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca2 (Ru O4)","","- Ca2 O4 Ru -","- Ca2 O4 Ru -","- Ca8 O16 Ru4 -","4","0.5","","Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526045","5.4207","","5.4802","","11.9395","","90","","90","","90","","354.681","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca1.9 Sr0.1) (Ru O4)","","- Ca1.9 O4 Ru Sr0.1 -","- Ca1.9 O4 Ru Sr0.1 -","- Ca7.6 O16 Ru4 Sr0.4 -","4","0.5","","Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526047","5.3304","","5.319","","12.4094","","90","","90","","90","","351.836","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca1.8 Sr0.2) (Ru O4)","","- Ca1.8 O4 Ru Sr0.2 -","- Ca1.8 O4 Ru Sr0.2 -","- Ca7.2 O16 Ru4 Sr0.8 -","4","0.5","","Friedt, O.; Braden, M.; Andre, G.; Adelmann, P.; Nakatsuji, S.; Maeno, Y.","Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2001","63","","1744321","17443210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526106","7.9403","","9.8218","","20.4244","","90","","90","","90","","1592.86","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Rb H5 (As O4)2","","- As2 H5 O8 Rb -","- As2 H5 O8 Rb -","- As16 H40 O64 Rb8 -","8","1","","Naili, H.; Mhiri, T.","X-ray structural, vibrational and calorimetric studies of a new rubidium pentahydrogen arsenate Rb H5 (As O4)2","Journal of Alloys Compd.","2001","315","","143","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526444","8.686","","8.792","","24.146","","90","","90","","90","","1843.96","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li2 Mn2 (S O4)3","","- Li2 Mn2 O12 S3 -","- Li2 Mn2 O12 S3 -","- Li16 Mn16 O96 S24 -","8","1","","Isasi, J.; Train, C.; Jaulmes, S.; Quarton, M.; Elfakir, A.","Crystal structure and magnetic properties of Li2 Mn2 (S O4)3","Journal of Solid State Chemistry","2001","158","","148","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","147629","2020-10-21","18:00:00",""
"1526641","18.02411","","13.91737","","9.65536","","90","","90","","90","","2422.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al24 O96 P24 -","24","3","","Kirchner, R.M.; Grosse-Kunstleve, R.W.; Pluth, J.J.; Smith, J.V.; Broach, R.W.; Wilson, S.T.","The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method","Microporous and Mesoporous Materials","2000","39","","319","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526660","5.4482","","10.916","","15.445","","90","","90","","90","","918.554","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K Al O2","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","","Sokolowski, J.; Kotarba, A.","The structure of potassium aluminium oxide K Al O2","Materials Science Forum","2000","321","","954","959","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526735","18.276","","8.819","","5.196","","90","","90","","90","","837.471","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Ca.069 Mg1.490 Fe.332 Fe.077 Al.046 Al.150 Si1.850) O6","","- Al0.196 Ca0.069 Fe0.409 Mg1.49 O6 Si1.85 -","- Al0.19 Ca0.07 Fe0.39 Mg1.5 O6 Si1.85 -","- Al1.52 Ca0.56 Fe3.12 Mg12 O48 Si14.8 -","8","1","","Takeda, H.","Crystallographic Studies of Coexisting Aluminan Orthopyroxene and Augite of High-Pressure Origin","Journal of Geophysical Research","1972","77","29","5798","5811","10.1029/JB077i029p05798","","","","","","","","","","","","","","","","","","","","","has coordinates","175280","2020-10-21","18:00:00",""
"1527115","22.581","","13.931","","10.001","","90","","90","","90","","3146.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cr4 (O H)6 (N H3)12 Br6 (H2 O)2","","- Br6 Cr4 H46 N12 O8 -","- Br6 Cr4 H46 N12 O8 -","- Br24 Cr16 H184 N48 O32 -","4","0.5","","Bang, E.; Narasimha, T.","The crystal structure of di-mue-hydroxotetrakis-mue-hydroxobis(tetraminechromium III))bis(diamminechromium(III))bromide dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","275","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527189","12.9","","15.64","","6.9","","90","","90","","90","","1392.12","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Pt I4","","- I4 Pt -","- I4 Pt -","- I32 Pt8 -","8","1","","Brodersen, K.; Thiele, G.; Holle, B.","Zur Kenntnis des Platin(IV)-jodids","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","369","","154","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527203","10.36","","5.99","","18.04999","","90","","90","","90","","1120.12","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na5 Co O4","","- Co Na5 O4 -","- Co Na5 O4 -","- Co8 Na40 O32 -","8","1","","Burow, W.; Hoppe, R.","Das erste Oxocobaltat(III) mit Inselstruktur: Na5 (Co O4)","Naturwissenschaften","1980","67","","192","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527297","11.33","","26.252","","9.94","","90","","90","","90","","2956.5","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H4)2 Sb4 S7","","- H8 N2 S7 Sb4 -","- N2 S7 Sb4 -","- N16 S56 Sb32 -","8","1","","Dittmar, G.; Schaefer, H.","Darstellung und Kristallstruktur von (N H4)2 Sb4 S7","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","437","","183","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","148784","2020-10-21","18:00:00",""
"1527333","5.83","","24.27","","11.82","","90","","90","","90","","1672.46","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na As Se2","","- As Na Se2 -","- As Na Se2 -","- As16 Na16 Se32 -","16","2","","Eisenmann, B.; Schaefer, H.","Ueber Seleno- und Telluroarsenite, -antimonite und -bismutite","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","87","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527607","10.994","","7.224","","6.662","","90","","90","","90","","529.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cu (S C N)","","- C Cu N S -","- C Cu N S -","- C8 Cu8 N8 S8 -","8","1","","Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J.","Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex","Inorganica Chimica Acta","1976","17","","161","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527685","13.756","","7.439","","5.617","","90","","90","","90","","574.793","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Tc2 O7","","- O7 Tc2 -","- O7 Tc2 -","- O28 Tc8 -","4","0.5","","Krebs, B.","Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","380","","146","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","149377","2020-10-21","18:00:00",""
"1527716","16.521","","15.956","","6.793","","90","","90","","90","","1790.7","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N H4)3 (Mo O (O2) F4) F","","- F5 H12 Mo N3 O3 -","- F5 H12 Mo N3 O3 -","- F40 H96 Mo8 N24 O24 -","8","1","","Larking, I.; Stomberg, G.","Studies on peroxomolybdates VII. The crystal structure of triammonium fluoride oxoperoxotetrafluoromolybdate(VI), (N H4)3 F Mo O O2 F4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1970","24","","2043","2054","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527738","19.04","","11.52","","9.36","","90","","90","","90","","2053.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb2 Cr3 O10","","- Cr3 O10 Rb2 -","- Cr3 O10 Rb2 -","- Cr24 O80 Rb16 -","8","1","","Loefgren, P.","On the crystal structures of Rb2 Cr3 O10 and Rb2 Cr4 O13","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3893","3895","","","","","","","","","","","","","","","","","","","","","","has coordinates","149464","2020-10-21","18:00:00",""
"1527770","6.543","","11.405","","18.709","","90","","90","","90","","1396.12","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K4 Pb O3","","- K4 O3 Pb -","- K4 O3 Pb -","- K32 O24 Pb8 -","8","1","","Martens, K.P.; Hoppe, R.","Das erste Oxoplumbat(II) mit Inselstruktur: K4 Pb O3","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","438","","105","114","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528142","9.607","","13.7","","7.037","","90","","90","","90","","926.181","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cd (P O3)2","","- Cd O6 P2 -","- Cd O6 P2 -","- Cd8 O48 P16 -","8","1","","Tordjman, I.; Beucher, M.; Guitel, J.C.; Bassi, G.","Structure cristalline du polyphosphate de cadmium Cd (P O3)2","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1968","91","","344","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528250","10.22","","5.94","","17.98","","90","","90","","90","","1091.51","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Na5 Ni O4 -","- Na5 Ni O4 -","- Na40 Ni8 O32 -","8","1","","Zentgraf, H.; Hoppe, R.","Na5 Ni O4, das erste Oxoniccolat(III) mit Inselstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1980","462","","61","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528514","18.4588","","8.9638","","5.2848","","90","","90","","90","","874.428","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.919 Fe0.071) (Mg0.901 Fe0.079) Si2 O6","","- Fe0.15 Mg1.82 O6 Si2 -","- Fe0.15 Mg1.82 O6 Si2 -","- Fe1.2 Mg14.56 O48 Si16 -","8","1","","Gatta, G.D.; Rinaldi, R.; Knight, K.S.; Molin, G.; Artioli, G.","High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in-situ neutron powder diffraction study","Physics and Chemistry of Minerals (Germany)","2007","34","","185","200","","","","","","","","","","","","","","","","","","","","","","has coordinates","150883","2020-10-21","18:00:00",""
"1528556","7.36","","6.38","","12.32","","90","","90","","90","","578.508","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn Te O3","","- O3 Te Zn -","- O3 Te Zn -","- O24 Te8 Zn8 -","8","1","","Hanke, K.","Zinktellurit: Kristallstruktur und Beziehungen zu einigen Seleniten","Naturwissenschaften","1967","54","","199","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528796","5.506","","16.226","","5.487","","90","","90","","90","","490.211","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Bi2 Mo O6 -","- Bi2 Mo O6 -","- Bi8 Mo4 O24 -","4","0.5","","Pertlik, F.; Zemann, J.","Neubestimmung der Kristallstruktur des Koechlinits","Fortschritte der Mineralogie, Beiheft","1982","60","","162","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528895","9.173","","9.094","","9.202","","90","","90","","90","","767.624","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Li5 Ga O4","","- Ga Li5 O4 -","- Ga Li5 O4 -","- Ga8 Li40 O32 -","8","1","","Stewner, F.; Hoppe, R.","Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4","Naturwissenschaften","1968","55","","297","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528941","17.1965","","39.918","","19.5617","","90","","90","","90","","13428.1","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 Cl6 -","- C60 Cl6 -","- C960 Cl96 -","16","2","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528942","17.226","","40.0522","","19.6088","","90","","90","","90","","13528.9","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 Br0.85 Cl5.15 -","- C60 Br0.85 Cl5.15 -","- C960 Br13.6 Cl82.4 -","16","2","","Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E.","Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br)","Kristallografiya","2009","54","","268","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528957","13.4043","","11.6463","","24.321","","90","","90","","90","","3796.76","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","((C H3)3 Si)3 C Ga (C H3) I","","- C10.878 H29.634 Ga I1.122 Si3 -","- C10.878 H29.634 Ga I1.122 Si3 -","- C87.024 H237.072 Ga8 I8.976 Si24 -","8","1","","Viefhaus, T.; Schwarz, W.; Locke, K.; Huebler, K.; Weidlein, J.","Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","715","725","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529092","9.459","0.002","29.785","0.007","34.465","0.008","90","","90","","90","","9710","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(isonicotinoyl)cyclotriguaiacyclene copper(i) tetrafluoroborate","","- C47 H44.5 B Cu F4 N5.5 O11 -","- C47 H40.5 B Cu F4 N5.5 O11 -","- C376 H324 B8 Cu8 F32 N44 O88 -","8","1","","Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.","Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies","Chem. Sci.","2015","6","10","5779","","10.1039/C5SC01801C","","","0.6889","","","0.136","0.1163","","","0.3412","0.3652","","","","","","1.318","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1529189","19.29","","24.46","","11.02","","90","","90","","90","","5199.6","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","(N H4)10 (H2 W12 O42) (H2 O)10","","- O42 W12 -","- O42 W12 -","- O168 W48 -","4","0.5","","Weiss, G.","Die Struktur des Parawoframations am Beispiel des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10","Zeitschrift fuer Anorganische und Allgemeine Chemie","1969","368","","279","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","152252","2020-10-21","18:00:00",""
"1529263","7.5352","0.0003","16.1007","0.0006","30.3669","0.0012","90","","90","","90","","3684.2","0.2","90","0.5","90","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C184 H200 N8 O16 -","8","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","0.71073","MoKα","","0.0535","0.0433","","","0.1077","0.114","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529355","15.7046","0.0002","8.83038","0.00016","19.1603","0.0003","90","","90","","90","","2657.1","0.07","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 Te -","- C14 H16 O4 Te -","- C112 H128 O32 Te8 -","8","1","","Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives.","Molecules (Basel, Switzerland)","2015","20","7","12670","12685","10.3390/molecules200712670","","","1.54184","CuKα","","0.053","0.048","","","0.1271","0.133","","","","","","1.039","","","","has coordinates,has disorder","152924","2020-10-21","18:00:00",""
"1529386","11.116","0.001","18.075","0.002","6.559","0.0007","90","","90","","90","","1317.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 O4 -","- C2 H6 N5 O4 -","- C16 H48 N40 O32 -","8","1","","A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov","Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine","Journal of Structural Chemistry","2004","45","3","532","536","10.1007/s10947-005-0025-6","","","1.5406","","","0.0726","0.0502","","","0.1401","0.1556","","","","","","0.986","","","","has coordinates,has Fobs","153316","2020-10-21","18:00:00",""
"1529458","24.274","0.002","16.262","0.001","12.626","0.002","90","","90","","90","","4984","0.9","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O5 -","- C29 H32 O5 -","- C232 H256 O40 -","8","1","","Rouger, Caroline; Derbré, Séverine; Charreau, Béatrice; Pabois, Angélique; Cauchy, Thomas; Litaudon, Marc; Awang, Khalijah; Richomme, Pascal","Lepidotol A from Mesua lepidota Inhibits Inflammatory and Immune Mediators in Human Endothelial Cells.","Journal of natural products","2015","78","9","2187","2197","10.1021/acs.jnatprod.5b00222","","x-ray","0.71073","MoKα","","0.1791","0.0598","","","0.1082","0.1426","","","","","","1.023","","","","has coordinates","160546","2020-10-21","18:00:00",""
"1529863","12.3364","0.0006","8.7782","0.0004","36.9717","0.0014","90","","90","","90","","4003.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C200 H208 O16 -","8","1","","Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L.","Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J.","Organic letters","2015","17","15","3884","3887","10.1021/acs.orglett.5b01848","","","0.71073","MoKα","","0.1412","0.0598","","","0.117","0.15","","","","","","0.999","","","","has coordinates","154521","2020-10-21","18:00:00",""
"1530098","13.122","","9.982","","11.189","","90","","90","","90","","1465.58","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K4 Li (I O6)","","- I K4 Li O6 -","- I K4 Li O6 -","- I8 K32 Li8 O48 -","8","1","","Hoppe, R.; Schneider, J.","Eine ""misslungene"" Synthese: ueber K2 Li (I O6) und K5 I2 (Au O2)","Journal of the Less-Common Metals","1988","137","","85","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530143","7.475","","16.24","","16.666","","90","","90","","90","","2023.15","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tl3 (Pd Cl5)","","- Cl5 Pd Tl3 -","- Cl5 Pd Tl3 -","- Cl40 Pd8 Tl24 -","8","1","","Keller, H.L.; Schroeder, L.","Darstellung und Kristallstruktur von Tl3 Pd Cl5","Journal of the Less-Common Metals","1987","132","","287","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530153","5.1","","5.1","","5.1","","90","","90","","90","","132.651","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Ta2 O2.2","","- O2.2 Ta2 -","- O2.2 Ta2 -","- O4.4 Ta4 -","2","0.25","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Structures with fcc cells in thin films of oxides of Ta and Nb","Kristallografiya","1979","24","","1254","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","155137","2020-10-21","18:00:00",""
"1530246","13.421","","7.053","","6.817","","90","","90","","90","","645.286","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca.46 Sr.54 Cl2","","- Ca0.46 Cl2 Sr0.54 -","- Ca0.46 Cl2 Sr0.54 -","- Ca3.68 Cl16 Sr4.32 -","8","1","","Lasocha, W.; Eick, H.A.","The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray Rietveld Refinement Procedure","Journal of Solid State Chemistry","1988","75","","175","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","155314","2020-10-21","18:00:00",""
"1530477","6.766","","11.999","","26.61","","90","","90","","90","","2160.34","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K2 Pb (N O2)3 (N O3) (H2 O)","","- H2 K2 N4 O10 Pb -","- K2 N4 O10 Pb -","- K16 N32 O80 Pb8 -","8","1","","Nardelli, M.; Pelizzi, G.","Crystal structure of K2 Pb (N O2)3 (N O3) (H2 O)","Inorganica Chimica Acta","1980","38","","15","19","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530734","9.895","","10.148","","11.544","","90","","90","","90","","1159.19","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Al Cl3 (N H3)","","- Al Cl3 H3 N -","- Al Cl3 H3 N -","- Al8 Cl24 H24 N8 -","8","1","","Semenenko, K.N.; Lobkovskii, E.B.; Kravchenko, O.V.; Polyakova, V.B.; Korobov, I.I.","Structure and vibrational spectra of aluminium chloride monoammoniate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1978","4","","1649","1652","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530860","17.797","","11.975","","23.33","","90","","90","","90","","4972.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ba (U O2)3 (Mo O4)4 (H2 O)4","","- Ba H8 Mo4 O26 U3 -","- Ba Mo4 O26 U3 -","- Ba8 Mo32 O208 U24 -","8","1","","Tabachenko, V.V.; Balashov, V.L.; Kovba, L.M.; Serezhkin, V.N.","Crystal Structure of Barium Uranyl Molybdate Ba (U O2)3 (Mo O4)4 (H2 O)4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","854","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530885","5.577","","11.227","","15.89","","90","","90","","90","","994.92","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K Fe O2","","- Fe K O2 -","- Fe K O2 -","- Fe16 K16 O32 -","16","2","","Tomkowicz, Z.; Szytula, A.","Crystal and magnetic structure of K Fe O2","Journal of Physics and Chemistry of Solids","1977","38","","1117","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530925","10.85","","10.875","","13.521","","90","","90","","90","","1595.39","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N H4)2 Sb F3 S O4","","- F3 H8 N2 O4 S Sb -","- F3 H8 N2 O4 S Sb -","- F24 H64 N16 O32 S8 Sb8 -","8","1","","Udovenko, A.A.; Davidovich, R.L.; Volkova, L.M.; Zemnukhova, L.A.","Crystal structure of ammonium sulfatotrifluoroantimonate(III) (N H4)2 Sb F3 S O4","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","749","751","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531142","9.09","","10.344","","10.468","","90","","90","","90","","984.274","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","In (As O4) (H2 O)2","","- As H4 In O6 -","- As H4 In O6 -","- As8 H32 In8 O48 -","8","1","","Chen Zhenxia; Zhao, D.-Y.; Weng, L.-H.; Zhou, Y.-M.; Zhang, H.-Y.","Synthesis and structure of a new three-dimensional microporous indium arsenate","Hua Hsueh Hsueh Pao","2002","60","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531277","5.314","","15.176","","10.999","","90","","90","","90","","887.017","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bi Er (Ge O4) O","","- Bi Er Ge O5 -","- Bi Er Ge O5 -","- Bi8 Er8 Ge8 O40 -","8","1","","Cascales, C.; Zaldo, C.","Crystal-field analysis of Eu(3+) energy levels in the new rare-earth R Bi Y1-x Rx Ge O5 oxide","Journal of Solid State Chemistry","2003","171","","262","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531606","11.529","","12.188","","19.701","","90","","90","","90","","2768.29","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Al Br3) (N H3)","","- Al Br3 H3 N -","- Al Br3 H3 N -","- Al16 Br48 H48 N16 -","16","2","","Jacobs, H.; Schroeder, F.O.","Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","327","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531607","13.536","","8.759","","14.348","","90","","90","","90","","1701.12","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Al I3) (N H3)","","- Al H3 I3 N -","- Al H3 I3 N -","- Al8 H24 I24 N8 -","8","1","","Jacobs, H.; Schroeder, F.O.","Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","327","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1531703","14.039","","12.987","","14.705","","90","","90","","90","","2681.08","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Co2 (N H2 (C H2)2 N H2)3) (Ge9 O18 (O H)4)","","- C6 H28 Co2 Ge9 N6 O22 -","- C6 Co2 Ge9 N6 O22 -","- C24 Co8 Ge36 N24 O88 -","4","0.5","","Julius, N.N.; Choudhury, A.; Rao, C.N.R.","An organically templated open-framework cobalt germanate","Journal of Solid State Chemistry","2003","170","","124","129","","","","","","","","","","","","","","","","","","","","","","has coordinates","157246","2020-10-21","18:00:00",""
"1531780","5.5918","","11.221","","15.928","","90","","90","","90","","999.412","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 (Fe2 O4)","","- Fe2 K2 O4 -","- Fe2 K2 O4 -","- Fe16 K16 O32 -","8","1","","Moeller, A.","Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2537","2541","","","","","","","","","","","","","","","","","","","","","","has coordinates","157338","2020-10-21","18:00:00",""
"1531924","14.424","","12.044","","15.04","","90","","90","","90","","2612.79","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ru (N O) (O H) (N H3)4) (Re O4)2","","- H13 N5 O10 Re2 Ru -","- H13 N5 O10 Re2 Ru -","- H104 N40 O80 Re16 Ru8 -","8","1","","Minacheva, L.Kh.; Kokunova, V.N.; Sergienko, V.S.; Kokunov, Yu.V.","Crystal structure of hydroxonitrosotetraammineruthenium(IV) perrhenate (Ru (N O) (O H) (N H3)4) (Re O4)2","Zhurnal Neorganicheskoi Khimii","2001","46","","1293","1296","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1532133","11.96","","6.221","","6.134","","90","","90","","90","","456.389","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na (O H) (H2 O)","","- H3 Na O2 -","- H3 Na O2 -","- H24 Na8 O16 -","8","1","","Rustad, J.R.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R.","Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra","American Mineralogist","2003","88","","436","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532495","14.978","0.002","16.438","0.003","29.361","0.005","90","","90","","90","","7229","2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H52 I P2 Pd -","- C33 H52 I P2 Pd -","- C264 H416 I8 P16 Pd8 -","8","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0343","0.029","","","0.059","0.0613","","","","","","1.079","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532509","16.5074","0.0003","8.21747","0.00013","23.5969","0.0004","90","","90","","90","","3200.9","0.09","295.16","0.1","295.16","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 S6 Se2 -","- C12 H6 S6 Se2 -","- C96 H48 S48 Se16 -","8","1","","Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.","Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization","Polym. Chem.","2015","6","44","7658","","10.1039/C5PY01133G","","x-ray","1.54184","CuKα","","0.0577","0.0487","","","0.1279","0.1356","","","","","","1.065","","","","has coordinates","171372","2020-10-21","18:00:00",""
"1533070","14.0343","","15.1794","","17.4024","","90","","90","","90","","3707.27","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Roux, M.; Marichal, C.; le Meins, J.M.; Chezeau, J.M.; Baerlocher, C.","Solid state NMR and X-ray diffraction study of three forms of the aluminophosphate Al P O4 - ZON","Microporous and Mesoporous Materials","2003","63","","163","176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533713","5.3398","","5.3419","","26.8336","","90","","90","","90","","765.42","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ca3.093 Bi0.693) (Mn3 O10)","","- Bi0.693 Ca3.093 Mn3 O10 -","- Bi0.693 Ca3.093 Mn3 O10 -","- Bi2.772 Ca12.372 Mn12 O40 -","4","0.5","","Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Cruz, M.M.; Costa, F.M.; Godinho, M.","Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study","Solid State Sciences","2003","5","","943","949","","","","","","","","","","","","","","","","","","","","","","has coordinates","159982","2020-10-21","18:00:00",""
"1534126","7.2317","0.0005","11.2958","0.0007","32.232","0.002","90","","90","","90","","2633","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0437","0.0371","","","0.0943","0.099","","","","","","1.027","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534158","14.43","","5.984","","4.925","","90","","90","","90","","425.269","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hg V2 O6","","- Hg O6 V2 -","- Hg O6 V2 -","- Hg4 O24 V8 -","4","0.5","","Angenault, J.; Rimsky, A.","Structure cristalline de la phase Hg V2 O6 obtenue a haute temperature","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)","1968","266","","978","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534244","13.18","","6.96","","6.7","","90","","90","","90","","614.61","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Yb Cl2","","- Cl2 Yb -","- Cl2 Yb -","- Cl16 Yb8 -","8","1","","Beck, H.P.; Baernighausen, H.","Zur Kristallchemie der Ytterbium(II)-Halogenide Yb Cl2 und Yb Br2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","386","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534306","10.334","","5.974","","18.08199","","90","","90","","90","","1116.3","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na5 (Fe O4)","","- Fe Na5 O4 -","- Fe Na5 O4 -","- Fe8 Na40 O32 -","8","1","","Brachtel, G.; Hoppe, R.","Zur Kenntnis von Na5 Fe O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","446","","77","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534308","12.42","","12.76","","13.51","","90","","90","","90","","2141.05","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Ti Cl4 P O Cl3)2","","- Cl14 O2 P2 Ti2 -","- Cl14 O2 P2 Ti2 -","- Cl56 O8 P8 Ti8 -","4","0.5","","Branden, C.I.; Lindqvist, I.","The Crystal Structure of ((Ti Cl4) (P O Cl))2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1960","14","","726","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","160869","2020-10-21","18:00:00",""
"1534357","8.245","","8.245","","8.245","","90","","90","","90","","560.495","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zr (P2 O7)","","- O7 P2 Zr -","- O7 P2 Zr -","- O28 P8 Zr4 -","4","0.5","","Chaunac, M.","Etude cristallographique du pyrophosphate de zirconium","Bulletin de la Societe Chimique de France (Vol=Year)","1971","1971","","424","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534400","18.22","0.005","12.964","0.004","24.265","0.007","90","","90","","90","","5731","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H62 N6 O2 S4 -","- C64 H62 N6 O2 S4 -","- C256 H248 N24 O8 S16 -","4","0.5","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1672","0.0698","","","0.147","0.1789","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534628","8.0726","","8.0048","","9.2431","","90","","90","","90","","597.285","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(H3 N) (B F3)","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Goebbels, D.; Meyer, G.","Aufbau und Abbau von (N H4) (B F4) und (H3 N)-(B F3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1799","1805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534633","9.8504","","9.9096","","11.41","","90","","90","","90","","1113.77","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hg2 (O H) (B F4)","","- B F4 H Hg2 O -","- B F4 Hg2 O -","- B8 F32 Hg16 O8 -","8","1","","Goebbels, D.; Meyer, G.","Hg2 (O H) (B F4), the first basic mercurous tetrafluoroborate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","933","935","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534640","9.2037","","13.516","","10.0404","","90","","90","","90","","1249","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Gd (H Se O4) (Se O4)","","- Gd H O8 Se2 -","- Gd H O8 Se2 -","- Gd8 H8 O64 Se16 -","8","1","","Goehausen, I.; Wickleder, M.S.","Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur von La (H Se O4)3 und Gd (H Se O4) (Se O4)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1115","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534642","8.6857","","5.0521","","9.4954","","90","","90","","90","","416.668","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Al (O H)3","","- Al H3 O3 -","- Al O3 -","- Al8 O24 -","8","1","","Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D.","Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies","J. Phys. Chem. B","2005","109","","8857","8860","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534721","19.437","","14.595","","12.744","","90","","90","","90","","3615.26","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Co (N H3)6) H8 O3 (Np O2 (S O4)3)","","- Co H26 N6 Np O17 S3 -","- Co N6 Np O17 S3 -","- Co8 N48 Np8 O136 S24 -","8","1","","Grigor'ev, M.S.; Fedoseev, A.M.; Budantseva, N.A.; Struchkov, Yu.T.; Yanovskii, A.I.; Krot, N.N.","Synthesis, crystal and molecular structure of complex neptunium(V) sulfates (Co(NH3)6)(NpO2(SO4)2)*2H2O and (Co(NH3)6)H8O3(NpO2(SO4)3)","Radiokhimiya","1991","33","","54","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534782","10.4385","","9.7374","","11.51111","","90","","90","","90","","1170.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr3 Mo N4","","- Mo N4 Sr3 -","- Mo N4 Sr3 -","- Mo8 N32 Sr24 -","8","1","","Bailey, M.S.; McGuire, M.A.; DiSalvo, F.J.","Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2177","2185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534873","11.495","","7.2293","","25.394","","90","","90","","90","","2110.26","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K (U O2 (I O3)3)","","- I3 K O11 U -","- I3 K O11 U -","- I24 K8 O88 U8 -","8","1","","Shvareva, T.Y.; Almond, P.M.; Albrecht-Schmitt, T.E.","Crystal chemistry and ion-exchange properties of the layered uranyl iodate K [U O2 (I O3)3]","Journal of Solid State Chemistry","2005","178","","499","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534884","10.06","","19.45","","8.7","","90","","90","","90","","1702.3","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","K (H Se O4)","","- K Se -","- K Se -","- K16 Se16 -","16","2","","Madar, J.","A contribution to the crystal structure of K H Se O4","Czechoslovak Journal of Physics","1960","10","","259","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534905","8.219","","10.372","","13.277","","90","","90","","90","","1131.83","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li Na Mo O4 (H2 O)2","","- H4 Li Mo Na O6 -","- H4 Li Mo Na O6 -","- H32 Li8 Mo8 Na8 O48 -","8","1","","Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O.","Crystal structure of dihydrate lithium-sodium molybdate LiNaMoO4*2H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","616","618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534995","11.956","","12.156","","15.837","","90","","90","","90","","2301.7","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","((W Cl2)2 Cl2 (C Cl)) Cl","","- C Cl8 W2 -","- C Cl8 W2 -","- C8 Cl64 W16 -","8","1","","Beck, J.; Wolf, F.","W2 Cl7 (C Cl), a polymeric tungsten chlorocarbyne complex","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1453","1454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535168","6.084","","5.986","","26.235","","90","","90","","90","","955.448","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","La Si As3","","- As3 La Si -","- As3 La Si -","- As24 La8 Si8 -","8","1","","Hayakawa, H.; Ono, S.; Suzuki, A.","The crystal structure of lanthanum silicon triarsenide (La Si As3)","Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-)","1984","1984","","697","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535419","9.14","","7.3541","","10.5355","","90","","90","","90","","708.159","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li4 Sr2 (Cr2 N6)","","- Cr2 Li4 N6 Sr2 -","- Cr2 Li4 N6 Sr2 -","- Cr8 Li16 N24 Sr8 -","4","0.5","","Hochrein, O.; Kniep, R.; Kohout, M.; Schnelle, W.","Li4 Sr2 (Cr2 N6): ein Hexanitridodichromat(V)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2738","2743","","","","","","","","","","","","","","","","","","","","","","has coordinates","162793","2020-10-21","18:00:00",""
"1535458","15.15","","8.14","","7.805","","90","","90","","90","","962.52","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr (Br0.3 I1.7)","","- Br0.3 I1.7 Sr -","- Br0.3 I1.7 Sr -","- Br2.4 I13.6 Sr8 -","8","1","","Hodorowicz, S.A.; Eick, H.A.","An X-ray diffraction study of the Sr Brx I2-x system","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535462","15.189","","8.174","","7.84","","90","","90","","90","","973.374","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr (Br0.2 I1.8)","","- Br0.2 I1.8 Sr -","- Br0.2 I1.8 Sr -","- Br1.6 I14.4 Sr8 -","8","1","","Hodorowicz, S.A.; Eick, H.A.","An X-ray diffraction study of the Sr Brx I2-x system","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535466","15.268","","8.251","","7.896","","90","","90","","90","","994.709","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Sr I2","","- I2 Sr -","- I2 Sr -","- I16 Sr8 -","8","1","","Hodorowicz, S.A.; Eick, H.A.","An X-ray diffraction study of the Sr Brx I2-x system","Journal of Solid State Chemistry","1983","46","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535504","13.886","","11.666","","8.907","","90","","90","","90","","1442.88","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","K2 Rb2 (Zr F6)2 (H2 O)2","","- F12 H4 K2 O2 Rb2 Zr2 -","- F12 K2 O2 Rb2 Zr2 -","- F48 K8 O8 Rb8 Zr8 -","4","0.5","","Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.; Logvinova, V.B.","Crystal structure of potassium rubidium hexafluorozirconate dihydrate","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1993","19","","698","700","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535510","11.6155","","9.8735","","9.4178","","90","","90","","90","","1080.09","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba (V10 O15)","","- Ba O15 V10 -","- Ba O15 V10 -","- Ba4 O60 V40 -","4","0.5","","Bridges, C.A.; Greedan, J.E.","Phase transitions and electrical transport in the mixed-valence V(2+)/V(3+) oxide Ba V10 O15","Journal of Solid State Chemistry","2004","177","","1098","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535610","7.859","","9.515","","14.744","","90","","90","","90","","1102.53","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cs (H2 P O4) (H F)","","- Cs F H3 O4 P -","- Cs F H3 O4 P -","- Cs8 F8 H24 O32 P8 -","8","1","","Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E.","Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1687","1692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535793","4.932","","34.14","","5.941","","90","","90","","90","","1000.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ni5 Si2 P3","","- Ni5 P3 Si2 -","- Ni5 P3 Si2 -","- Ni40 P24 Si16 -","8","1","","Il'nitskaya, O.N.; Grin', Yu.; Kuz'ma, Yu.B.","Crystal chemical studies of inhomogeneous linear structures. IX.A series of inhomogeneous linear structure of M2m+2n X2m+2n and its new member Ni5 Si2 P3.","Kristallografiya","1992","37","","146","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","163260","2020-10-21","18:00:00",""
"1535878","9.748","","9.174","","13.74","","90","","90","","90","","1228.74","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ce (Se O4)2","","- Ce O8 Se2 -","- Ce O8 Se2 -","- Ce8 O64 Se16 -","8","1","","Iskhakova, L.D.; Kozlova, N.P.; Marugin, V.V.","Crystal structure of Ce (Se O4)2","Kristallografiya","1990","35","","1089","1093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535900","9.232","","13.514","","10.061","","90","","90","","90","","1255.22","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Eu H (Se O4)2","","- Eu H O8 Se2 -","- Eu O8 Se2 -","- Eu8 O64 Se16 -","8","1","","Iskhakova, L.D.; Ovanisyan, S.M.; Trunov, V.K.","Crystal structure of EuH(SeO4)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536020","13.905","","11.497","","8.697","","90","","90","","90","","1390.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K4 (F5 Hf (O2) Hf F5) (H2 O)2","","- F10 H4 Hf2 K4 O4 -","- F10 Hf2 K4 O4 -","- F40 Hf8 K16 O16 -","4","0.5","","Chernyshev, B.N.; Gerasimenko, A.V.; Didenko, N.A.; Bukvetskii, B.V.; Bakeeva, N.G.","Synthesis and structure of dimeasured peroxofluorohafnates K4 Hf2 F10 O2.","Zhurnal Neorganicheskoi Khimii","1991","36","","1112","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536147","16.366","","13.321","","11.41","","90","","90","","90","","2487.51","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tl4 (P2 S6)","","- P2 S6 Tl4 -","- P2 S6 Tl4 -","- P16 S48 Tl32 -","8","1","","Voroshilov, Yu.V.; Gebesh, V.Yu.; Potorii, M.V.","A study of Tl-P-S system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1994","30","","479","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","163752","2020-10-21","18:00:00",""
"1536189","10.258","","8.26","","12.981","","90","","90","","90","","1099.89","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K2 (V O) (Si4 O10) (H2 O)","","- H2 K2 O12 Si4 V -","- K1.98 O12 Si4 V -","- K7.92 O48 Si16 V4 -","4","0.5","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (VO) (Si6 O14) * 3(H2 O) (VSH-2)","Angew. Chem. Int. ed.","2001","40","","2174","2176","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536208","6.3128","","6.3347","","11.3945","","90","","90","","90","","455.663","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Pt Si Sb","","- Pt Sb Si -","- Pt Sb Si -","- Pt8 Sb8 Si8 -","8","1","","Wang, M.; Morgan, M.G.; Mar, A.","Platinum silicon antimonide (Pt Si Sb)","Journal of Solid State Chemistry","2003","175","","231","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536340","10.9536","","16.556","","15.779","","90","","90","","90","","2861.49","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca4 (Te5 O14)","","- Ca4 O14 Te5 -","- Ca4 O14 Te5 -","- Ca32 O112 Te40 -","8","1","","Weil, M.","New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions","Solid State Sciences","2004","6","","29","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","164014","2020-10-21","18:00:00",""
"1536457","15.647","","17.2876","","17.92","","90","","90","","90","","4847.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Eu7 Ga6 Sb8 -","- Eu7 Ga6 Sb8 -","- Eu56 Ga48 Sb64 -","8","1","","Park, S.-M.; Kim, S.-J.; Kanatzidis, M.G.","Eu7 Ga6 Sb8: A Zintl phase with Ga-Ga bonds and polymeric gallium antimonide chains","Journal of Solid State Chemistry","2004","177","","2867","2874","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536663","8.1513","","8.1513","","7.7971","","90","","90","","90","","518.068","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Pd (N H3)2 Cl2)","","- Cl2 H6 N2 Pd -","- Cl2 N2 Pd -","- Cl8 N8 Pd4 -","4","0.5","","Kirik, S.D.; Krapivko, A.A.; Kruglik, A.I.; Yakimov, I.S.","Determination of the crystal structure of beta-trans-Pd (N H3)2 Cl2 by the full-profile analysis technique.","Kristallografiya","1991","36","","1563","1566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536673","13.003","","12.935","","14.212","","90","","90","","90","","2390.37","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Re2 Te5 -","- Re2 Te5 -","- Re24 Te60 -","12","1.5","","Klaiber, F.; Petter, W.; Hulliger, F.","The structure type of Re2 Te5, a new (M6 X14) cluster compound","Journal of Solid State Chemistry","1983","46","","112","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536699","17.53589","","11.30444","","5.86555","","90","","90","","90","","1162.75","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 (P S2 O2)","","- Na3 O2 P S2 -","- Na3 O2 P S2 -","- Na24 O16 P8 S16 -","8","1","","Pompetzki, M.; Dinnebier, R.E.; Jansen, M.","Sodium dithiophosphate(V): crystal structure, sodium ionic conductivity and dismutation","Solid State Sciences","2003","5","","1439","1444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536875","10.881","0.0016","19.554","0.003","29.442","0.004","90","","90","","90","","6264.3","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3","","","- C66 H90 N2 O8 Zn2 -","- C66 H90 N2 O8 Zn2 -","- C264 H360 N8 O32 Zn8 -","4","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1766","0.0825","","","0.1356","0.1631","","","","","","1.056","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536877","12.2437","0.0008","18.3841","0.0011","30.3846","0.0019","90","","90","","90","","6839.3","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5","","","- C32 H46 N2 O4 Zn -","- C32 H46 N2 O4 Zn -","- C256 H368 N16 O32 Zn8 -","8","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1263","0.0486","","","0.0931","0.1202","","","","","","0.992","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536889","7.329","","11.013","","22.802","","90","","90","","90","","1840.45","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","La (Se2 O5) (H Se O3) (H2 O)2","","- H5 La O10 Se3 -","- H La O10 Se3 -","- H8 La8 O80 Se24 -","8","1","","Feng, M.-L.; Mao, J.-G.","Synthesis, crystal structure and characterization of a new layered lanthanum(III) diselenite hydrogenselenite: La (Se2 O5) (H Se O3) . H2 O","Journal of Alloys Compd.","2005","391","","33","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536935","10.263","","5.95","","18.064","","90","","90","","90","","1103.07","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na5 Ga O4","","- Ga Na5 O4 -","- Ga Na5 O4 -","- Ga8 Na40 O32 -","8","1","","Fink, D.; Hoppe, R.","Ein neues Oxogallat Na5 Ga O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1975","414","","193","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537019","14.49297","","14.87313","","17.57384","","90","","90","","90","","3788.14","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Al32 (P O4)32 (H2 O)61.84","","- Al32 H123.68 O189.84 P32 -","- Al32 O189.84 P32 -","- Al32 O189.84 P32 -","1","0.125","","Fjellvag, H.; Akporiaye, D.E.; Halvorsen, E.N.; Karlsson, A.; Lillerud, K.P.; Kongshaug, K.O.","Crystal structure and MAS-NMR study of rehydrated UiO-7","Solid State Sciences","2001","3","","603","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537047","28.172","","29.183","","40.094","","90","","90","","90","","32963","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- In22 Li4 O33 S42 -","- In21.994 Li4.007 O33 S42 -","- In175.952 Li32.056 O264 S336 -","8","1","","Zheng Nanfeng; Feng Pingyun; Bu Xianhui","Pentasupertetrahedral clusters as buildung blocks for a three-dimensional sulfide superlattice","Angewandte Chemie (Edition international)","2004","43","","4753","4755","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537221","5.922","","18.396","","11.864","","90","","90","","90","","1292.48","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pb2 Bi (V0.84 P0.16) O6","","- Bi O6 P0.16 Pb2 V0.84 -","- Bi O6 P0.16 Pb2 V0.84 -","- Bi8 O48 P1.28 Pb16 V6.72 -","8","1","","Labidi, O.; Conflant, P.; Roussel, P.; Drache, M.; Huve, M.; Wignacourt, J.P.","Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6: Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction properties of related materials","Journal of Solid State Chemistry","2005","178","","2247","2255","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537228","18.2248","","8.7822","","5.1927","","90","","90","","90","","831.112","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Mg0.854 Fe0.096 Al0.03) (Al0.03 Si0.97 O3)","","- Al0.06 Fe0.096 Mg0.854 O3 Si0.97 -","- Al0.0595 Fe0.096 Mg0.854 O3 Si0.97 -","- Al0.952 Fe1.536 Mg13.664 O48 Si15.52 -","16","2","","Ganguly, J.; Ghose, S.","Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications","Contributions to Mineralogy and Petrology (23,1969-)","1979","69","","375","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","165265","2020-10-21","18:00:00",""
"1537231","18.1991","","8.78","","5.1666","","90","","90","","90","","825.561","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.956 Al0.044) (Al0.044 Si0.956 O3)","","- Al0.088 Mg0.956 O3 Si0.956 -","- Al0.088 Mg0.956 O3 Si0.956 -","- Al1.408 Mg15.296 O48 Si15.296 -","16","2","","Ganguly, J.; Ghose, S.","Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications","Contributions to Mineralogy and Petrology (23,1969-)","1979","69","","375","385","","","","","","","","","","","","","","","","","","","","","","has coordinates","165269","2020-10-21","18:00:00",""
"1537406","5.437","","19.245","","9.228","","90","","90","","90","","965.572","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mn (Ge O3)","","- Ge Mn O3 -","- Ge Mn O3 -","- Ge16 Mn16 O48 -","16","2","","Herpin, P.; Whuler, A.; Boucher, B.; Sougi, M.","Etude cristallographique et magnetique de Mn Ge O3","Physica Status Solidi, Sectio B: Basic Research","1971","44","","71","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537552","10.1909","","9.5857","","14.2741","","90","","90","","90","","1394.39","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","U (Mo2 O8)","","- Mo2 O8 U -","- Mo2 O8 U -","- Mo16 O64 U8 -","8","1","","Krivovichev, S.V.; Berns, P.C.","Gamma-U Mo2 O8 - a new polymorph of uranium(IV) dimolybdate","Doklady Akad. Nauk","2004","394","","761","762","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537574","6.05","","4.881","","6.89","","90","","90","","90","","203.462","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ni P -","- Ni P -","- Ni8 P8 -","8","1","","Larsson, E.","An X-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2","Arkiv foer Kemi","1965","23","","335","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537585","18.211","","8.81","","5.203","","90","","90","","90","","834.764","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Lindemann, W.","Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte )","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1961","1961","","226","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537588","8.71","","6.98","","13.41","","90","","90","","90","","815.272","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Se (C N)2","","- C2 N2 Se -","- C2 N2 Se -","- C16 N16 Se8 -","8","1","","Linke, K.H.; Lemmer, F.","Roentgenographische Kristallstrukturanalyse von Selenidcyanid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","345","","211","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537589","8.6","","6.85","","12.8","","90","","90","","90","","754.048","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S (C N)2","","- C2 N2 S -","- C2 N2 S -","- C16 N16 S8 -","8","1","","Linke, K.H.; Lemmer, F.","Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","345","","203","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537988","13.034","","12.958","","14.24","","90","","90","","90","","2405.06","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Re2 Te5 -","- Re2 Te5 -","- Re24 Te60 -","12","1.5","","Fedorov, V.E.; Mischenko, A.V.; Podberezskaya, N.V.","A physico-chemical characterization of the cluster-type rhenium telluride Re6 Te15","Materials Research Bulletin","1986","21","","1335","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539273","5.72","","5.8","","7.67","","90","","90","","90","","254.46","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Pd Se2 -","- Pd Se2 -","- Pd4 Se8 -","4","0.5","","Schubert, K.; Vetter, H.; Breimer, H.; Gunzel, E.; Burkhardt, W.; Wilkens, M.; Haufler, R.; Lukas, H.L.; Wegst, J.","Einige strukturelle Ergebnisse an metallischen Phasen. II","Naturwissenschaften","1957","44","","229","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539286","10.86","","35.45","","8.16","","90","","90","","90","","3141.49","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tl Pb As5 S9","","- As5 Pb S9 Tl -","- As5 Pb S9 Tl -","- As40 Pb8 S72 Tl8 -","8","1","","Takeuchi, Y.; Nowacki, W.; Ghose, S.","The crystal structure of the thallium-lead sulfosalt hutchinsonite","Chimia","1964","18","","215","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539341","13.11","","16.239","","14.232","","90","","90","","90","","3029.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cs4 Sn5 S12 (H2 O)2","","- Cs4 H4 O2 S12 Sn5 -","- Cs4 O2 S12 Sn5 -","- Cs16 O8 S48 Sn20 -","4","0.5","","Sheldrick, W.S.","Zur Kenntnis von Cs4 Sn5 S12 (H2 O)2, ein Caesium(I)-thiostannat(IV) mit fuenf- und sechsfach koordiniertem Zinn","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","562","","23","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539442","6.08","","6.01","","4.8","","90","","90","","90","","175.396","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Hg O2 -","- Hg O2 -","- Hg4 O8 -","4","0.5","","Vannerberg, N.G.","Formation and structure of mercuric peroxides","Arkiv foer Kemi","1959","13","","515","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539448","16.837","","6.407","","8.005","","90","","90","","90","","863.537","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba O2 (H2 O2)2","","- Ba H4 O6 -","- Ba O6 -","- Ba8 O48 -","8","1","","Vannerberg, N.G.","On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2","Arkiv foer Kemi","1959","14","","125","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539449","18.337","","8.971","","5.232","","90","","90","","90","","860.67","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mg.318 Fe.666 Ca.016 Si O3","","- Ca0.016 Fe0.666 Mg0.318 O3 Si -","- Ca0.016 Fe0.666 Mg0.318 O3 Si -","- Ca0.256 Fe10.656 Mg5.088 O48 Si16 -","16","2","","Smyth, J.R.","An orthopyroxene structure up to 850 degrees C","American Mineralogist","1973","58","","636","648","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539692","12.523","","12.034","","11.18","","90","","90","","90","","1684.85","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Sr2 (Ga2 S5)","","- Ga2 S5 Sr2 -","- Ga2 S5 Sr2 -","- Ga16 S40 Sr16 -","8","1","","Eisenmann, B.; Hofmann, A.","Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2 (Ga2 S5), Ba2 (In2 S5) und Ba2 (In2 Se5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","168682","2020-10-21","18:00:00",""
"1539697","13.167","","12.723","","11.784","","90","","90","","90","","1974.1","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba2 (In2 S5)","","- Ba2 In2 S5 -","- Ba2 In2 S5 -","- Ba16 In16 S40 -","8","1","","Eisenmann, B.; Hofmann, A.","Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","168687","2020-10-21","18:00:00",""
"1539701","13.657","","13.182","","12.225","","90","","90","","90","","2200.82","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ba2 (In2 Se5)","","- Ba2 In2 Se5 -","- Ba2 In2 Se5 -","- Ba16 In16 Se40 -","8","1","","Eisenmann, B.; Hofmann, A.","Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","580","","151","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","168692","2020-10-21","18:00:00",""
"1540038","8.432","","7.939","","19.974","","90","","90","","90","","1337.09","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Cl2 Te) S Se N2","","- Cl2 N2 S Se Te -","- Cl2 N2 S Se Te -","- Cl16 N16 S8 Se8 Te8 -","8","1","","Haas, A.; Kasprowski, J.; Pryka, M.","Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3)","Chemische Berichte","1992","125","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540283","17.121","","13.186","","20.644","","90","","90","","90","","4660.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","K2 (Gd10 (C2)2) Br20","","- C4 Br20 Gd10 K2 -","- C4 Br20 Gd10 K2 -","- C16 Br80 Gd40 K8 -","4","0.5","","Liess, H.; Steffen, F.; Meyer, G.","Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20","Journal of Alloys Compd.","1997","246","","242","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","169533","2020-10-21","18:00:00",""
"1540469","16.0499","0.0009","7.6796","0.0003","22.6554","0.0011","90","","90","","90","","2792.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br N -","- C16 H15 Br N -","- C128 H120 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","","","0.1402","0.0566","","","0.1161","0.1477","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540471","17.503","0.004","8.0333","0.0016","21.133","0.004","90","","90","","90","","2971.4","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br N -","- C17 H18 Br N -","- C136 H144 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.2594","0.105","","","0.2872","0.3808","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540473","16.319","0.003","8.0724","0.0016","24.455","0.005","90","","90","","90","","3221.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N -","- C18 H20 Br N -","- C144 H160 Br8 N8 -","8","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.173","0.073","","","0.1453","0.182","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540481","9.4116","0.0003","15.8331","0.0005","24.7415","0.001","90","","90","","90","","3686.8","0.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C168 H152 N8 O32 -","8","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","0.71073","MoKα","","0.0867","0.0476","","","0.1284","0.1384","","","","","","0.98","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540489","14.361","0.003","22.678","0.005","25.532","0.006","90","","90","","90","","8315","3","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H44 F12 N O3 P3 Pd -","- C38 H44 F12 N O3 P3 Pd -","- C304 H352 F96 N8 O24 P24 Pd8 -","8","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.09","0.083","","","0.1731","0.177","","","","","","1.306","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540497","14.3269","0.0011","17.0916","0.0012","42.481","0.003","90","","90","","90","","10402.3","1.3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8Me-[8]CMP","","- C62.9 H62.9 Cl2.71 -","- C62.904 H62.904 Cl2.712 -","- C503.232 H503.232 Cl21.696 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0675","0.0618","","","0.1835","0.1884","","","","","","1.028","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540499","16.2912","0.0016","15.2859","0.0017","43.96","0.004","90","","90","","90","","10947.2","1.9","93","","93","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","3Me-[6]CMP","","- C39 H30 -","- C39 H30 -","- C624 H480 -","16","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.037","0.0343","","","0.0904","0.0926","","","","","","1.05","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540594","11.3289","0.0006","14.3997","0.0007","19.8404","0.001","90","","90","","90","","3236.6","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C168 H128 O32 -","8","1","","Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang","Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition.","Organic letters","2015","17","22","5638","5641","10.1021/acs.orglett.5b02912","","","0.71073","MoKα","","0.0564","0.0395","","","0.0925","0.0994","","","","","","1.029","","","","has coordinates","170743","2020-10-21","18:00:00",""
"1540604","10.6778","0.0003","8.9179","0.0002","27.039","0.0007","90","","90","","90","","2574.75","0.11","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 B N4 -","- C15 H13 B N4 -","- C120 H104 B8 N32 -","8","1","","Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K.","Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach.","Organic letters","2015","17","22","5594","5597","10.1021/acs.orglett.5b02741","","","1.54178","CuKα","","0.036","0.0319","","","0.0769","0.0794","","","","","","1.074","","","","has coordinates","170754","2020-10-21","18:00:00",""
"1540611","16.685","0.004","16.536","0.004","37.285","0.008","90","","90","","90","","10287","4","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C60 H56 Si4 -","- C60 H56 Si4 -","- C480 H448 Si32 -","8","1","","Fu, Xiangyu; Zhao, Dahui","Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates.","Organic letters","2015","17","22","5694","5697","10.1021/acs.orglett.5b03000","","","0.71073","MoKα","","0.0923","0.0829","","","0.1789","0.1845","","","","","","1.32","","","","has coordinates","170761","2020-10-21","18:00:00",""
"1540641","14.6954","0.0004","14.3307","0.0006","18.2161","0.0004","90","","90","","90","","3836.2","0.2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18.37 N4 O7.68 Y -","- C16 H18.3664 N4 O7.6832 Y -","- C128 H146.931 N32 O61.4656 Y8 -","8","1","","Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George","Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction","Inorganics","2015","3","4","448","","10.3390/inorganics3040448","","x-ray","1.54184","CuKα","","0.0612","0.0447","","","0.1075","0.1183","","","","","","1.054","","","","has coordinates,has disorder","170845","2020-10-21","18:00:00",""
"1540652","22.0243","0.0016","16.0659","0.0011","23.6931","0.0017","90","","90","","90","","8383.6","1","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H63 Br6 Fe3 N9 -","- C27 H63 Br6 Fe3 N9 -","- C216 H504 Br48 Fe24 N72 -","8","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","0.0661","0.0623","","","0.1372","0.1391","","","","","","1.3","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540665","18.6866","0.0013","15.8553","0.0012","22.302","0.002","90","","90","","90","","6607.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N4 O4 Zn -","- C22 H20 N4 O4 Zn -","- C176 H160 N32 O32 Zn8 -","8","1","","Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung","Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation","CrystEngComm","2016","18","9","1600","","10.1039/C5CE02194D","","","0.71073","MoKα","","0.2215","0.1201","","","0.3174","0.3491","","","","","","1.024","","","","has coordinates","177762","2020-10-21","18:00:00",""
"1540707","24.4634","0.0019","6.1982","0.0004","25.443","0.002","90","","90","","90","","3857.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","hd_bam","hd_bam_0ma","","- C21 H16 F2 N4 O4 -","- C21 H16 F2 N4 O4 -","- C168 H128 F16 N32 O32 -","8","1","","Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko","Catalytic activation of a single C‒F bond in trifluoromethyl arenes","Chem. Sci.","2016","7","1","505","","10.1039/C5SC03415A","","","0.71073","MoKα","","0.1047","0.0487","","","0.0925","0.1112","","","","","","1.003","","","","has coordinates","171583","2020-10-21","18:00:00",""
"1540721","18.6608","0.0013","19.993","0.0015","21.8841","0.0015","90","","90","","90","","8164.6","1","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H40 F6 N3 P3 Ru S -","- C43 H40 F6 N3 P3 Ru S -","- C344 H320 F48 N24 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.0653","0.0445","","","0.1127","0.1292","","","","","","1.038","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540722","18.3794","0.0011","19.6522","0.0012","21.8753","0.0013","90","","90","","90","","7901.3","0.8","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H39 F6 N4 P3 Ru S -","- C42 H39 F6 N4 P3 Ru S -","- C336 H312 F48 N32 P24 Ru8 S8 -","8","1","","de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A.","Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity.","Metallomics : integrated biometal science","2016","8","2","179","192","10.1039/c5mt00227c","","","0.71073","MoKα","","0.123","0.0661","","","0.1692","0.2013","","","","","","1.025","","","","has coordinates,has disorder","177882","2020-10-21","18:00:00",""
"1540957","6.755","","9.689","","16.645","","90","","90","","90","","1089.4","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cs (As Se2)","","- As Cs Se2 -","- As Cs Se2 -","- As8 Cs8 Se16 -","8","1","","Sheldrick, W.S.; Haeusler, H.J.","Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und Kristallstrukturen von M As Se2, M = K, Rb, Cs","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","561","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541011","6.812","","11.7871","","19.7991","","90","","90","","90","","1589.74","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb4 Pb O3","","- O3 Pb Rb4 -","- O3 Pb Rb4 -","- O24 Pb8 Rb32 -","8","1","","Stoll, H.; Brazel, B.; Hoppe, R.","Neue Oxoplumbate(II) mit Inselstruktur: Rb4 (Pb O3) und Cs4 (Pb O3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","564","","45","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541034","7.467","","13.394","","19.904","","90","","90","","90","","1990.66","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","U (H2 P O2)4","","- H8 O8 P4 U -","- O8 P4 U -","- O64 P32 U8 -","8","1","","Tanner, P.A.; Sze, T.; Mak, T.C.W.; Yip, W.","Synthesis, crystal structure and vibrational spectra of uranium(IV)hypophosphite","Journal of Crystallographic and Spectroscopic Research","1992","22","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541344","8.474","","10.602","","13.865","","90","","90","","90","","1245.65","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na2 (W O4) (H2 O)2","","- H4 Na2 O6 W -","- Na2 O6 W -","- Na16 O48 W8 -","8","1","","Okada, K.; Morikawa, H.; Marumo, F.; Iwai, S.I.","Crystal structure of Na2 W O4 (H2 O)2","Bulletin of the Tokyo Institute of Technology","1974","120","","7","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541351","12.934","","7.145","","13.626","","90","","90","","90","","1259.22","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","K2 (Pt I4) (H2 O)2","","- H4 I4 K2 O2 Pt -","- H4 I4 K2 O2 Pt -","- H16 I16 K8 O8 Pt4 -","4","0.5","","Olsson, L.F.; Oskarsson, A.","The crystal structure of potassium tetraiodoplatinate(II) dihydrate","Acta Chemica Scandinavica (43,1989-)","1989","43","","811","812","","","","","","","","","","","","","","","","","","","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1541712","16.802","","20.311","","8.783","","90","","90","","90","","2997.33","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","K4 ((N C S)4 O Mo O Mo O (N C S)4) (H2 O)4","","- C8 K4 Mo2 N8 O5 S8 -","- C8 K4 Mo2 N8 O5 S8 -","- C32 K16 Mo8 N32 O20 S32 -","4","0.5","","Bino, A.; Cohen, S.; Tsimering, L.","The Crystal Structure of Potassium mue-oxo-bis(oxotetra(Isothio-cyanato)molybdate(V)) Tetrahydrate","Inorganica Chimica Acta","1983","77","","79","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","173155","2020-10-21","18:00:00",""
"1541728","12.848","","13.37","","13.967","","90","","90","","90","","2399.22","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H2 (C3 H7)2) (Cu2 (C N)3)","","- C9 H16 Cu2 N4 -","- C9 H16 Cu2 N4 -","- C72 H128 Cu16 N32 -","8","1","","Pretsch, T.; Hartl, H.; Bruedgam, I.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","173180","2020-10-21","18:00:00",""
"1541736","10.07","","11.603","","18.39","","90","","90","","90","","2148.73","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Cu (C (N H3)2 N (N H)2 N H2) Cl3) Cl (H2 O)","","- C H12 Cl4 Cu N6 O -","- C H12 Cl4 Cu N6 O -","- C8 H96 Cl32 Cu8 N48 O8 -","8","1","","Savel'eva, Z.A.; Romanenko, G.V.; Larionov, S.V.; Sheludyakova, L.A.","Synthesis and structure of a complex with the coordinated triaminoguanidinium(2+) ion, (Cu (TAG H2) Cl3) Cl . (H2 O)","Polyhedron","2000","19","","1737","1740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541791","11.756","","12.901","","13.522","","90","","90","","90","","2050.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce (N O3)3 (H2 O)4","","- Ce H8 N3 O13 -","- Ce N3 O13 -","- Ce8 N24 O104 -","8","1","","Milinski, N.; Radivojevic, P.; Djuric, S.; Ribar, B.","Tetraaquatri(nitrato)cerium(III), Ce (H2 O)4 (N O3)3","Crystal Structure Communications","1982","11","","1241","1244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541866","8.7597","","6.7809","","27.113","","90","","90","","90","","1610.48","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cs (Cu2 (C N)3) (H2 O)","","- C3 H2 Cs Cu2 N3 O -","- C3 H2 Cs Cu2 N3 O -","- C24 H16 Cs8 Cu16 N24 O8 -","8","1","","Pretsch, T.; Bruedgam, I.; Hartl, H.","Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","353","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541868","20.453","","11.844","","5.221","","90","","90","","90","","1264.76","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Na2 Zn2 Ti Ge O7","","- Ge Na2 O7 Ti Zn2 -","- Ge Na2 O7 Ti Zn2 -","- Ge8 Na16 O56 Ti8 Zn16 -","8","1","","Sandomirskii, P.A.; Evstigneyeva, T.; Simonov, M.A.; Belov, N.V.","Crystal structure of Na2 Ti Zn2 Ge O4 O3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","1080","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541925","16.05","0.0008","11.2326","0.0005","24.8893","0.0013","90","","90","","90","","4487.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H32 O3 S -","- C25 H32 O3 S -","- C200 H256 O24 S8 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0687","0.0423","","","0.0999","0.1145","","","","","","1.011","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541947","11.311","","9.728","","7.314","","90","","90","","90","","804.784","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bi (Cr O4 (O H))","","- Bi Cr H O5 -","- Bi Cr O5 -","- Bi8 Cr8 O40 -","8","1","","Aurivillius, B.; Loewenhielm, A.","The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1964","18","","1937","1957","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542044","9.169","","7.958","","8.548","","90","","90","","90","","623.721","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Li B (O H)4","","- B H4 Li O4 -","- B H4 Li O4 -","- B8 H32 Li8 O32 -","8","1","","Kutschabsky, L.; Reck, G.","Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus Harkerschnitten","Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin","1966","8","","648","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542046","9.218","","9.213","","9.159","","90","","90","","90","","777.832","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Li5 Fe O4","","- Fe Li5 O4 -","- Fe Li5 O4 -","- Fe8 Li40 O32 -","8","1","","Luge, R.; Hoppe, R.","Zur Kenntnis von Li5 Fe O4. Mit einer Notiz ueber Mischkristalle Na5 Fe1-x Gax O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","513","","141","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542271","11.3075","0.0007","17.5868","0.0011","20.908","0.0013","90","","90","","90","","4157.8","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 Cr N4 -","- C18 H34 Cr N4 -","- C144 H272 Cr8 N32 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0858","0.049","","","0.1197","0.1454","","","","","","1.044","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542273","16.6334","0.0014","14.8352","0.0012","18.1191","0.0015","90","","90","","90","","4471.1","0.6","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cr N4 O -","- C20 H36 Cr N4 O -","- C160 H288 Cr8 N32 O8 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0533","0.0405","","","0.1057","0.1168","","","","","","1.042","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542300","13.346","0.0005","19.6302","0.0007","30.1437","0.0011","90","","90","","90","","7897.2","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C336 H320 F24 Ir8 N48 O24 S24 -","8","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0228","0.0227","","","0.0588","0.059","","","","","","1.127","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542342","7.1579","0.0006","12.4992","0.0009","24.3054","0.0017","90","","90","","90","","2174.6","0.3","103","2","103.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F4 N2 O -","- C10 H12 F4 N2 O -","- C80 H96 F32 N16 O8 -","8","1","","Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio","Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines.","Organic letters","2016","18","4","756","759","10.1021/acs.orglett.6b00018","","x-ray","0.71073","MoKα","","0.0817","0.073","","","0.1768","0.1875","","","","","","1.099","","","","has coordinates","177432","2020-10-21","18:00:00",""
"1542444","16.336","0.011","7.549","0.005","21.555","0.016","90","","90","","90","","2658","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C144 H96 N16 O16 -","8","1","","Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei","Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols.","Organic letters","2016","18","5","1064","","10.1021/acs.orglett.6b00177","","","0.71073","MoKα","","0.1454","0.059","","","0.1623","0.2243","","","","","","0.636","","","","has coordinates","177456","2020-10-21","18:00:00",""
"1542455","10.2208","0.0005","10.8693","0.0006","18.1059","0.0006","90","","90","","90","","2011.44","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","ZQ4001","Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T.","1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde","IUCrData","2016","1","1","x160038","","10.1107/S2414314616000389","","","0.71069","MoKα","","0.0757","0.0467","","","0.123","0.1378","","","","","","1.047","","","","has coordinates,has Fobs","177502","2020-10-21","18:00:00",""
"1542492","20.944","0.006","9.316","0.003","24.309","0.007","90","","90","","90","","4743","2","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","","- C25 H20 O12 -","- C25 H20 O12 -","- C200 H160 O96 -","8","1","ZS2360","Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji","3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one","IUCrData","2016","1","1","x160028","","10.1107/S2414314616000286","","","0.71073","MoKα","","0.0838","0.0616","","","0.156","0.1789","","","","","","1.21","","","","has coordinates,has disorder,has Fobs","177541","2020-10-21","18:00:00",""
"1542531","11.913","0.0009","11.445","0.001","20.7458","0.0017","90","","90","","90","","2828.6","0.4","120","2","120.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","","- C26 H30 Cl4 N6 Ni2 O2 -","- C26 H30 Cl4 N6 Ni2 O2 -","- C104 H120 Cl16 N24 Ni8 O8 -","4","0.5","LH5805","Glazier, Brian M.; Golen, James A.; Manke, David R.","Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]","IUCrData","2016","1","2","x160259","","10.1107/S2414314616002595","","","1.54178","CuKα","","0.0466","0.0315","","","0.0677","0.0729","","","","","","1.044","","","","has coordinates,has Fobs","176772","2020-10-21","18:00:00",""
"1542558","27.4702","0.0008","17.1432","0.0006","27.9778","0.0008","90","","90","","90","","13175.5","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N Ni O3 P3 S3 Si3 -","- C68 H74 N Ni O3 P3 S3 Si3 -","- C544 H592 N8 Ni8 O24 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0912","0.0552","","","0.1449","0.1725","","","","","","1.042","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542559","27.5733","0.0007","17.0409","0.0005","27.8585","0.0008","90","","90","","90","","13090","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C544 H592 N16 Ni8 O16 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0499","0.0382","","","0.106","0.1276","","","","","","1.171","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542575","13.3161","0.0018","7.7509","0.0011","33.992","0.005","90","","90","","90","","3508.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Br N4 -","- C21 H15 Br N4 -","- C168 H120 Br8 N32 -","8","1","","Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin","Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles.","Organic letters","2016","18","6","1342","1345","10.1021/acs.orglett.6b00281","","","0.71073","MoKα","","0.1112","0.0562","","","0.1338","0.1597","","","","","","1.028","","","","has coordinates","181451","2020-10-21","18:00:00",""
"1542631","8.5688","0.001","19.141","0.003","21.222","0.003","90","","90","","90","","3480.7","0.8","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C136 H176 N16 O40 -","8","1","","Izumi, Sanae; Kobayashi, Yusuke; Takemoto, Yoshiji","Catalytic Asymmetric Synthesis of anti-α,β-Diamino Acid Derivatives.","Organic letters","2016","18","4","696","699","10.1021/acs.orglett.5b03666","","","0.71075","MoKα","","0.1257","0.0704","","","0.1451","0.1697","","","","","","1.04","","","","has coordinates,has disorder","177287","2020-10-21","18:00:00",""
"1542662","8.0119","0.0012","20.775","0.003","34.265","0.005","90","","90","","90","","5703.3","1.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H9 O P S2 -","- C18 H9 O P S2 -","- C288 H144 O16 P16 S32 -","16","2","","Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya","Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms.","Organic letters","2016","18","4","816","819","10.1021/acs.orglett.6b00105","","","0.71073","MoKα","","0.0469","0.0349","","","0.0727","0.0778","","","","","","1.058","","","","has coordinates","177312","2020-10-21","18:00:00",""
"1542671","13.7519","0.0002","14.9993","0.0002","22.6562","0.0003","90","","90","","90","","4673.27","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O6 S -","- C28 H20 N2 O6 S -","- C224 H160 N16 O48 S8 -","8","1","","Kumar, N. N. Bhuvan; Kutateladze, Andrei G.","Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications.","Organic letters","2016","18","3","460","463","10.1021/acs.orglett.5b03503","","","0.71073","MoKα","","0.0575","0.0374","","","0.108","0.1326","","","","","","0.784","","","","has coordinates","177321","2020-10-21","18:00:00",""
"1542680","10.0417","0.0011","18.527","0.002","26.755","0.003","90","","90","","90","","4977.6","0.9","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C256 H192 O48 -","16","2","","More, Atul A.; Ramana, Chepuri V.","o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A.","Organic letters","2016","18","3","612","615","10.1021/acs.orglett.5b03707","","","0.71073","MoKα","","0.1117","0.0973","","","0.1673","0.1734","","","","","","1.312","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1542689","10.487","0.0012","13.0919","0.0016","16.145","0.002","90","","90","","90","","2216.6","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","1","","Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan","Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group.","Organic letters","2016","18","3","448","451","10.1021/acs.orglett.5b03493","","","0.71073","MoKα","","0.1808","0.0642","","","0.1441","0.1926","","","","","","0.978","","","","has coordinates","177338","2020-10-21","18:00:00",""
"1542744","9.1055","0.0002","9.4967","0.0002","30.8939","0.0007","90","","90","","90","","2671.46","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","1","","Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers.","Organic letters","2016","18","6","1470","1473","10.1021/acs.orglett.6b00416","","","1.54178","CuKα","","0.0564","0.0492","","","0.1383","0.1457","","","","","","0.95","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1542887","14.6122","0.0015","8.3882","0.0009","20.911","0.002","90","","90","","90","","2563.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-5-methylindoline-2,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","","Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P.","1-Benzyl-5-methylindoline-2,3-dione","IUCrData","2016","1","3","x160381","","10.1107/S2414314616003813","","","0.71073","MoKα","","0.1172","0.0566","","","0.1275","0.1638","","","","","","1.052","","","","has coordinates,has Fobs","178214","2020-10-21","18:00:00",""
"1542902","16.1115","0.0019","7.704","0.0009","23.873","0.003","90","","90","","90","","2963.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","SU4021","Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B.","4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one","IUCrData","2016","1","3","x160430","","10.1107/S2414314616004302","","","0.71073","MoKα","","0.0984","0.0501","","","0.1257","0.1547","","","","","","0.974","","","","has coordinates,has Fobs","178351","2020-10-21","18:00:00",""
"1542917","9.3535","0.0004","13.8812","0.0007","16.9106","0.0008","90","","90","","90","","2195.64","0.18","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-calcium","","- C16 H26 Ca N4 O6 S2 -","- C16 H26 Ca N4 O6 S2 -","- C64 H104 Ca4 N16 O24 S8 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0372","0.0295","","","0.081","0.0875","","","","","","1.011","","","","has coordinates,has Fobs","178987","2020-10-21","18:00:00",""
"1542918","9.529","0.0018","14.161","0.003","17.094","0.003","90","","90","","90","","2306.7","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-strontium","","- C16 H26 N4 O6 S2 Sr -","- C16 H26 N4 O6 S2 Sr -","- C64 H104 N16 O24 S8 Sr4 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0663","0.0322","","","0.0711","0.0845","","","","","","0.996","","","","has coordinates,has Fobs","178988","2020-10-21","18:00:00",""
"1542944","22.905","0.004","7.8263","0.0009","15.601","0.0017","90","","90","","90","","2796.7","0.7","273.77","0.1","273.77","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F5 O -","- C16 H11 F5 O -","- C128 H88 F40 O8 -","8","1","","Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives.","Organic letters","2016","18","8","1784","1787","10.1021/acs.orglett.6b00447","","x-ray","0.71","MoKα","","0.201","0.0835","","","0.2207","0.2986","","","","","","0.993","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1542966","9.1702","0.0004","18.4101","0.0009","24.3386","0.0011","90","","90","","90","","4108.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DF1","-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H17 Cl N2 O S2 -","- C23 H17 Cl N2 O S2 -","- C184 H136 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","0.71073","MoKα","","0.0833","0.0627","","","0.1646","0.1821","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542996","7.3389","0.0007","15.6186","0.0013","23.534","0.002","90","","90","","90","","2697.5","0.4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F N2 O3 -","- C17 H13 F N2 O3 -","- C136 H104 F8 N16 O24 -","8","1","","Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds.","Organic letters","2016","18","7","1610","1613","10.1021/acs.orglett.6b00464","","","1.54178","CuKα","","0.0353","0.0333","","0.0418","0.035","0.0346","","","","","","1.116","","","","has coordinates","181386","2020-10-21","18:00:00",""
"1543006","8.29","0.003","16.342","0.006","39.875","0.012","90","","90","","90","","5402","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H24 Br2 F2 -","- C34 H24 Br2 F2 -","- C272 H192 Br16 F16 -","8","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides.","Organic letters","2016","18","7","1682","1685","10.1021/acs.orglett.6b00603","","","0.71073","MoKα","","0.0961","0.0461","","","0.0869","0.1015","","","","","","1.012","","","","has coordinates","181397","2020-10-21","18:00:00",""
"1543012","19.4188","0.0008","11.5902","0.0004","22.8272","0.0006","90","","90","","90","","5137.7","0.3","293.6","0.1","293.6","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H20 F5 N O2 S2 -","- C29 H20 F5 N O2 S2 -","- C232 H160 F40 N8 O16 S16 -","8","1","","Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min","BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives.","Organic letters","2016","18","7","1514","1517","10.1021/acs.orglett.6b00065","","x-ray","0.71","MoKα","","0.0982","0.0513","","","0.1082","0.1378","","","","","","1.066","","","","has coordinates","181403","2020-10-21","18:00:00",""
"1543039","15.1498","0.0003","7.4949","0.0002","16.4795","0.0003","90","","90","","90","","1871.19","0.07","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","0.5","BT4003","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione)","IUCrData","2016","1","4","x160542","","10.1107/S2414314616005423","","","0.71073","MoKα","","0.0772","0.0534","","","0.1502","0.1708","","","","","","1.03","","","","has coordinates,has Fobs","181832","2020-10-21","18:00:00",""
"1543040","9.8513","0.0002","15.0619","0.0002","28.931","0.0004","90","","90","","90","","4292.76","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C192 H160 N32 O16 S8 -","8","1","SJ4017","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R.","5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile","IUCrData","2016","1","4","x160492","","10.1107/S2414314616004922","","","1.54178","CuKα","","0.0393","0.0339","","","0.0869","0.0909","","","","","","1.023","","","","has coordinates,has Fobs","181833","2020-10-21","18:00:00",""
"1543052","14.1313","0.0002","11.0757","0.0002","9.36191","0.00018","90","","90","","90","","1465.27","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","1","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.299","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543099","18.7479","0.0011","9.6392","0.0006","19.3565","0.0011","90","","90","","90","","3498","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3a-hydroxy-11a-methyl-10-phenyl-3,3a,11,11a-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-b]isoquinoline-1,5(2H)-dione","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Gollapelli, Krishna Kumar; Kallepu, Shivakrishna; Govindappa, Nagendra; Nanubolu, Jagadeesh babu; Chegondi, Rambabu","Carbonyl-Assisted Reverse Regioselective Cascade Annulation of 2-Acetylenic Ketones Triggered by Ru-Catalyzed C‒H Activation","Chem. Sci.","2016","","","","","10.1039/C6SC01456A","","","0.71073","MoKα","","0.0543","0.044","","","0.1205","0.1297","","","","","","1.04","","","","has coordinates","182055","2020-10-21","18:00:00",""
"1543125","13.217","0.01","9.831","0.007","13.627","0.009","90","","90","","90","","1771","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4-(hydroxymethyl)-2-oxo-2<i>H</i>-chromene","","- C10 H8 O4 -","- C10 H8 O4 -","- C80 H64 O32 -","8","1","SJ4022","Bai, Jun-Hua; Dong, Jin-Long","7-Hydroxy-4-(hydroxymethyl)coumarin","IUCrData","2016","1","4","x160598","","10.1107/S2414314616005988","","","0.71073","MoKα","","0.0435","0.0333","","","0.0714","0.0781","","","","","","1.012","","","","has coordinates,has Fobs","182158","2020-10-21","18:00:00",""
"1543165","8.2585","0.0002","7.2677","0.0001","44.4667","0.0008","90","","90","","90","","2668.9","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","SU4035","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160633","","10.1107/S2414314616006337","","","0.71073","MoKα","","0.0843","0.0471","","","0.11","0.1268","","","","","","1.036","","","","has coordinates,has Fobs","182305","2020-10-21","18:00:00",""
"1543176","16.5042","0.0004","9.6896","0.0003","18.1221","0.0005","90","","90","","90","","2898.07","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2016","1","4","x160661","","10.1107/S2414314616006611","","","0.71073","MoKα","","0.0659","0.0483","","","0.1308","0.1458","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","182316","2020-10-21","18:00:00",""
"1543235","14.2222","0.0006","12.0292","0.0004","19.1416","0.0008","90","","90","","90","","3274.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O -","- C22 H19 N O -","- C176 H152 N8 O8 -","8","1","","Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun","Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles.","Organic letters","2016","18","10","2379","2382","10.1021/acs.orglett.6b00843","","","0.71073","MoKα","","0.0731","0.045","","","0.1029","0.1184","","","","","","1.019","","","","has coordinates","184957","2020-10-21","18:00:00",""
"1543254","8.6253","0.0019","7.125","0.0016","26.289","0.006","90","","90","","90","","1615.6","0.6","120","2","120.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","","- C8 H3 Cl2 N O2 -","- C8 H3 Cl2 N O2 -","- C64 H24 Cl16 N8 O16 -","8","1","HB4042","Mastrolia, Ronald J.; Golen, James A.; Manke, David R.","4,6-Dichloro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","5","x160695","","10.1107/S2414314616006957","","","1.54178","CuKα","","0.0398","0.0381","","","0.0966","0.0977","","","","","","1.1","","","","has coordinates,has Fobs","182571","2020-10-21","18:00:00",""
"1543272","19.533","0.004","7.5052","0.0015","21.247","0.004","90","","90","","90","","3114.8","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H15 N -","- C23 H15 N -","- C184 H120 N8 -","8","1","","Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth","Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions","Catal. Sci. Technol.","2016","6","11","3723","","10.1039/C5CY01973G","","","0.71073","MoKα","","0.1231","0.0578","","","0.1398","0.1671","","","","","","0.934","","","","has coordinates","185091","2020-10-21","18:00:00",""
"1543291","19.2882","0.0005","19.378","0.0005","40.5378","0.0009","90","","90","","90","","15151.7","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H116 K2 O16 S2 Si4 U -","- C55 H116 K2 O16 S2 Si4 U -","- C440 H928 K16 O128 S16 Si32 U8 -","8","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.109","0.055","","","0.0976","0.1153","","","","","","1.082","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543304","13.6534","0.0003","6.92272","0.00014","18.544","0.0004","90","","90","","90","","1752.75","0.06","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C80 H96 N16 O8 -","8","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0566","0.0524","","","0.1149","0.1174","","","","","","1.135","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1543315","17.503","0.0017","10.588","0.001","36.844","0.003","90","","90","","90","","6828","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 B Fe N6 O3 -","- C38 H33 B Fe N6 O3 -","- C304 H264 B8 Fe8 N48 O24 -","8","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0709","0.0472","","","0.1405","0.1576","","","","","","1.045","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543320","12.1163","0.0002","9.7911","0.0002","20.9428","0.0004","90","","90","","90","","2484.48","0.08","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H9 Br Cl N3 -","- C13 H9 Br Cl N3 -","- C104 H72 Br8 Cl8 N24 -","8","1","BT4009","Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid","6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","IUCrData","2016","1","5","x160763","","10.1107/S241431461600763X","","","1.54178","CuKα","","0.0319","0.0261","","","0.0661","0.0694","","","","","","1.026","","","","has coordinates,has Fobs","182951","2020-10-21","18:00:00",""
"1543324","9.5254","0.0003","12.2658","0.0005","24.0109","0.0007","90","","90","","90","","2805.35","0.17","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C144 H40 F40 S8 -","4","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.048","0.0385","","","0.1152","0.1244","","","","","","1.03","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543366","7.5805","0.0001","17.2484","0.0002","32.295","0.0004","90","","90","","90","","4222.62","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18.5 H22 Cl N O8 -","- C18.5 H22 Cl N O8 -","- C148 H176 Cl8 N8 O64 -","8","1","","Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun","Phosphine-Catalyzed Intramolecular Cyclizations of α-Nitroethylallenoates Forming (Z)-Furanone Oximes.","Organic letters","2016","18","12","2954","2957","10.1021/acs.orglett.6b01299","","","1.54178","CuKα","","0.0724","0.0704","","","0.1837","0.1849","","","","","","1.051","","","","has coordinates,has disorder","184971","2020-10-21","18:00:00",""
"1543400","9.7259","0.001","12.0868","0.0008","19.6834","0.0016","90","","90","","90","","2313.9","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0874","0.0476","","","0.1039","0.1183","","","","","","0.983","","","","has coordinates","184949","2020-10-21","18:00:00",""
"1543401","13.6505","0.0008","13.7482","0.0007","15.8641","0.0007","90","","90","","90","","2977.2","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C144 H152 N8 O24 -","8","1","","Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till","A Light-Induced Vinylogous Nazarov-Type Cyclization.","Organic letters","2016","18","13","3043","3045","10.1021/acs.orglett.6b01449","","","0.71073","MoKα","","0.0644","0.0474","","","0.1138","0.1266","","","","","","1.009","","","","has coordinates,has disorder","184949","2020-10-21","18:00:00",""
"1543405","15.415","0.002","8.1212","0.001","21.625","0.004","90","","90","","90","","2707.2","0.7","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N -","- C18 H19 N -","- C144 H152 N8 -","8","1","","Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy","Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.","Organic letters","2016","18","12","3002","3005","10.1021/acs.orglett.6b01376","","","0.71073","MoKα","","0.069","0.0449","","","0.1082","0.1202","","","","","","1.029","","","","has coordinates","184969","2020-10-21","18:00:00",""
"1543431","9.8848","0.001","9.8277","0.001","20.924","0.002","90","","90","","90","","2032.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 N O2 -","- C2 H9 B10 N O2 -","- C16 H72 B80 N8 O16 -","8","1","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.0981","0.0696","","","0.1837","0.214","","","","","","1.041","","","","has coordinates","186340","2020-10-21","18:00:00",""
"1543520","25.6662","0.0006","25.5792","0.0006","35.0042","0.0008","90","","90","","90","","22981","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H86 N2 Pd Zn4 -","- C57 H86 N2 Pd Zn4 -","- C912 H1376 N32 Pd16 Zn64 -","16","2","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.127","0.0585","","","0.1308","0.1725","","","","","","1.086","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543527","10.7582","0.0003","15.1305","0.0005","20.2832","0.0007","90","","90","","90","","3301.64","0.18","294.59","0.1","294.59","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N O2 S -","- C20 H15 N O2 S -","- C160 H120 N8 O16 S8 -","8","1","","Chen, Fei; Meng, Qiang; Han, Shang-Qing; Han, Bing","tert-Butyl Hydroperoxide (TBHP)-Initiated Vicinal Sulfonamination of Alkynes: A Radical Annulation toward 3-Sulfonylindoles.","Organic letters","2016","18","14","3330","3333","10.1021/acs.orglett.6b01427","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.109","0.124","","","","","","1.079","","","","has coordinates","184982","2020-10-21","18:00:00",""
"1543535","11.7526","0.0003","10.4082","0.0003","25.5656","0.0007","90","","90","","90","","3127.27","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C144 H128 N16 O16 S8 -","8","1","SJ4050","Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one","IUCrData","2016","1","6","x161012","","10.1107/S2414314616010129","","","0.71073","MoKα","","0.0772","0.0415","","","0.0962","0.1163","","","","","","1.016","","","","has coordinates,has Fobs","183952","2020-10-21","18:00:00",""
"1543550","12.8543","0.0007","18.2467","0.0009","32.5773","0.0015","90","","90","","90","","7641","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl N O Os -","- C20 H26 Cl N O Os -","- C320 H416 Cl16 N16 O16 Os16 -","16","2","","Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith","Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity","Inorganica Chimica Acta","2014","","","112","120","10.1016/j.ica.2013.05.025","","","0.71073","MoKα","","0.0487","0.0289","","","0.0504","0.0556","","","","","","1.004","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543563","11.2649","0.0002","8.5931","0.0002","34.9591","0.0006","90","","90","","90","","3384.06","0.11","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl5 N4 O2 P3 -","- C8 H8 Cl5 N4 O2 P3 -","- C64 H64 Cl40 N32 O16 P24 -","8","1","","Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic","Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes","Inorganica Chimica Acta","2014","","","216","226","10.1016/j.ica.2013.09.030","","","0.71073","MoKα","","0.0605","0.0388","","","0.0721","0.0784","","","","","","1.049","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1543627","11.021","0.005","9.374","0.004","18.596","0.008","90","","90","","90","","1921.2","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H7 N O5 S -","- C9 H7 N O5 S -","- C72 H56 N8 O40 S8 -","8","1","","Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing","Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores.","Nanoscale","2016","8","30","14374","14378","10.1039/c6nr00451b","","","0.71073","MoKα","","0.0309","0.0285","","","0.0728","0.0748","","","","","","1.064","","","","has coordinates","185563","2020-10-21","18:00:00",""
"1543631","15.7112","0.0006","15.4073","0.001","21.2986","0.0012","90","","90","","90","","5155.7","0.5","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H26 -","- C38 H26 -","- C304 H208 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.086","0.0398","","","0.0794","0.0978","","","","","","1.031","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543635","15.7303","0.0014","15.2924","0.0017","23.248","0.003","90","","90","","90","","5592.4","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 -","- C38 H22 F4 -","- C304 H176 F32 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1003","0.0403","","","0.0837","0.1097","","","","","","1.002","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543671","18.4827","0.0012","9.8467","0.0006","22.0681","0.0015","90","","90","","90","","4016.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C24 H18 F N3 O2 -","- C23.9999 H17.9995 F N3 O2 -","- C191.999 H143.996 F8 N24 O16 -","8","1","","Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail","Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","IUCrData","2016","1","7","x161124","","10.1107/S241431461601124X","","","0.71075","MoKα","","0.1097","0.0587","","","0.1059","0.1214","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","184488","2020-10-21","18:00:00",""
"1543738","7.49","0.002","18.968","0.006","28.635","0.009","90","","90","","90","","4068","2","110.15","","110.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","8-Butyl-8-(2-methyl-1<i>H</i>-inden-1-yl)-8-silatricyclo[7.4.0.0^2,3^]trideca-1(13),2,4,6,9,11-hexaene","","- C26 H26 Si -","- C26 H26 Si -","- C208 H208 Si8 -","8","1","XU4011","Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole","IUCrData","2016","1","7","x161151","","10.1107/S2414314616011512","","","0.71073","MoKα","","0.1154","0.0565","","","0.1305","0.1477","","","","","","0.855","","","","has coordinates,has Fobs","184679","2020-10-21","18:00:00",""
"1543892","7.3899","0.0001","13.5531","0.0002","32.123","0.002","90","","90","","90","","3217.3","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 N2 O S2 -","- C20 H12 N2 O S2 -","- C160 H96 N16 O8 S16 -","8","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","1.54187","CuKα","","0.1153","0.0684","","","0.1715","0.2246","","","","","","1.095","","","","has coordinates","196319","2020-10-21","18:00:00",""
"1543940","12.383","0.006","13.145","0.006","26.51","0.011","90","","90","","90","","4315","3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrabromidozincate","","- C12 H32 Br4 N2 Zn -","- C12 H32 Br4 N2 Zn -","- C96 H256 Br32 N16 Zn8 -","8","1","","Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Schmidt, Horst","Bis(triethylammonium) tetrabromidozincate","IUCrData","2016","1","8","x161317","","10.1107/S2414314616013171","","","0.71073","MoKα","","0.0401","0.0238","","","0.0435","0.0453","","","","","","1.022","","","","has coordinates,has Fobs","185908","2020-10-21","18:00:00",""
"1544030","8.717","0.003","16.325","0.005","21.043","0.007","90","","90","","90","","2994.5","1.7","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-[4-(9,17-Dithia[3.3]metacyclophane)]-1,3-butadiyne","Bis[3,11-dithiatricyclo[11.3.1.1^5,9^]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","","- C36 H30 S4 -","- C36 H30 S4 -","- C144 H120 S16 -","4","0.5","HB4071","Moriguchi, Tetsuji; Yakeya, Daisuke; Jalli, Venkataprasad; Tsuge, Akihiko","Bis[3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne","IUCrData","2016","1","9","","","10.1107/S241431461601378X","","","0.71073","MoKα","","0.0568","0.0433","","","0.1125","0.1298","","","","","","1.156","","","","has coordinates,has Fobs","186185","2020-10-21","18:00:00",""
"1544039","19.904","0.002","8.9529","0.0011","24.941","0.002","90","","90","","90","","4444.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 N2 O4 S2 -","- C50 H40 N2 O6 S2 -","- C200 H160 N8 O24 S8 -","4","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1621","0.0763","","","0.1734","0.2315","","","","","","1.153","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544147","13.1126","0.0005","6.8916","0.0003","16.1831","0.0006","90","","90","","90","","1462.41","0.1","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","","- C7 H7 F N2 O2 -","- C7 H7 F N2 O2 -","- C56 H56 F8 N16 O16 -","8","1","BT4026","Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław","4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline","IUCrData","2016","1","9","x161446","","10.1107/S2414314616014462","","","0.71073","MoKα","","0.0366","0.0302","","","0.0807","0.085","","","","","","1.037","","","","has coordinates,has Fobs","186613","2020-10-21","18:00:00",""
"1544189","13.636","0.003","10.254","0.002","30.557","0.006","90","","90","","90","","4272.6","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H27 Br N2 O2 -","- C24 H27 Br N2 O2 -","- C192 H216 Br8 N16 O16 -","8","1","","Lu, Kui; Ma, Yantao; Gao, Meile; Liu, Yan; Li, Ming; Xu, Chuanming; Zhao, Xia; Yu, Peng","1,4-Addition Ugi Reaction Using Cyclic α,β-Unsaturated Ketone as Substrate.","Organic letters","2016","18","19","5038","5041","10.1021/acs.orglett.6b02493","","","0.71073","MoKα","","0.0729","0.057","","","0.1249","0.1326","","","","","","1.107","","","","has coordinates","204116","2020-10-21","18:00:00",""
"1544237","19.3566","0.0003","15.6297","0.0002","20.726","0.0003","90","","90","","90","","6270.4","0.16","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Dy2 O8 -","- C64 H102 Dy2 O8 -","- C256 H408 Dy8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0385","0.0252","","","0.0539","0.0616","","","","","","1.142","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544238","19.3525","0.0005","15.6285","0.0003","20.6896","0.0005","90","","90","","90","","6257.6","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 O8 Y2 -","- C64 H102 O8 Y2 -","- C256 H408 O32 Y8 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0696","0.0373","","","0.0735","0.0831","","","","","","1.026","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544239","19.3419","0.0003","15.68151","0.00018","20.772","0.0003","90","","90","","90","","6300.36","0.15","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H102 Gd2 O8 -","- C64 H102 Gd2 O8 -","- C256 H408 Gd8 O32 -","4","0.5","","Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song","Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers.","Chemical science","2017","8","2","1288","1294","10.1039/c6sc03621j","","","0.71073","MoKα","","0.0373","0.0237","","","0.0471","0.0535","","","","","","1.138","","","","has coordinates","196356","2020-10-21","18:00:00",""
"1544245","20.1218","0.001","15.6745","0.0007","21.2107","0.0011","90","","90","","90","","6689.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H40 Cl2 N4 O9 Zn2 -","- C25 H40 Cl2 N4 O9 Zn2 -","- C200 H320 Cl16 N32 O72 Zn16 -","8","1","","Martínez, Javier; Castro-Osma, José A.; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio","Ring-opening copolymerisation of cyclohexene oxide and carbon dioxide catalysed by scorpionate zinc complexes","Polym. Chem.","2016","7","42","6475","","10.1039/C6PY01559J","","","0.71073","MoKα","","0.0633","0.0383","","","0.0907","0.1098","","","","","","1.119","","","","has coordinates","188321","2020-10-21","18:00:00",""
"1544308","7.1432","0.0002","13.35","0.0005","29.4794","0.001","90","","90","","90","","2811.21","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Creatinium-4-methylbenzenesulfonate","{Amino[(carboxymethyl)(methyl)amino]methylidene}azanium 4-methylbenzenesulfonate","","- C11 H17 N3 O5 S -","- C11 H17 N3 O5 S -","- C88 H136 N24 O40 S8 -","8","1","HB4086","Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B.","Creatinium 4-methylbenzenesulfonate","IUCrData","2016","1","10","x161622","","10.1107/S2414314616016229","","","0.71073","MoKα","","0.0457","0.0381","","","0.0995","0.1079","","","","","","1.075","","","","has coordinates,has Fobs","187408","2020-10-21","18:00:00",""
"1544320","18.5465","0.0008","16.3492","0.0007","28.7869","0.0012","90","","90","","90","","8728.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N10 O17 S4 -","- C30 H54 N10 O17 S4 -","- C240 H432 N80 O136 S32 -","8","1","","Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail","Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners.","Organic letters","2016","18","21","5556","5559","10.1021/acs.orglett.6b02802","","","0.71073","MoKα","","0.0884","0.0551","","","0.1234","0.1428","","","","","","1.04","","","","has coordinates","187967","2020-10-21","18:00:00",""
"1544325","15.072","0.0002","17.0259","0.0003","18.8998","0.0003","90","","90","","90","","4849.96","0.13","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(I){(DO)(DOH)pn}(PMePh2)]","","- C24 H32 Co N4 O2 P -","- C24 H32 Co N4 O2 P -","- C192 H256 Co8 N32 O16 P8 -","8","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.072","0.0475","","","0.1022","0.1105","","","","","","1.018","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544332","10.9179","0.0004","9.6728","0.0004","6.1184","0.0002","90","","90","","90","","646.14","0.04","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Zn2SiO4 IV","","Zn2SiO4 IV","- O4 Si Zn2 -","- O4 Si Zn2 -","- O32 Si8 Zn16 -","8","1","","Liu, X.; Kanzaki, M.; Xue, X.","Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K","Physics and Chemistry of Minerals","2013","40","","467","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","187463","2020-10-21","18:00:00",""
"1544366","16.0575","0.0012","11.4137","0.0009","21.6746","0.0017","90","","90","","90","","3972.4","0.5","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H19 I -","- C26 H19 I -","- C208 H152 I8 -","8","1","","Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng","Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange.","Organic letters","2016","18","21","5756","5759","10.1021/acs.orglett.6b03078","","","0.71073","MoKα","","0.0681","0.0572","","","0.1044","0.1093","","","","","","1.203","","","","has coordinates,has disorder","187968","2020-10-21","18:00:00",""
"1544410","10.0172","0.0002","5.2276","0.0001","5.0598","0.0001","90","","90","","90","","264.961","0.009","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","HfO2 high-pressure phase","","","- Hf O2 -","- Hf O2 -","- Hf8 O16 -","8","1","","Ohtaka, O.; Yamanaka, T.; Kume, S.","Synthesis and X-ray structural analysis by the Rietveld method of orthorhombic hafnia","Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi","1991","99","","826","827","","","","","","","","","","","","","","","","","","","","","","has coordinates","187686","2020-10-21","18:00:00",""
"1544422","11.3119","0.0002","7.3309","0.0002","22.1215","0.0005","90","","90","","90","","1834.46","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","0334-107-2","zuckermann30","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","0.5","","Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N.","Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core.","Langmuir : the ACS journal of surfaces and colloids","2016","32","45","11946","","10.1021/acs.langmuir.6b02735","","","1.54178","CuKα","","0.0583","0.0423","","","0.0982","0.1082","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1544437","11.7947","0.0009","14.2221","0.0011","18.7864","0.0015","90","","90","","90","","3151.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>R</i>-Camphor-4-phenylthiosemicarbazone","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C136 H168 N24 O8 S8 -","8","1","BX4004","de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof","4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide","IUCrData","2016","1","11","x161730","","10.1107/S2414314616017302","","","0.71073","MoKα","","0.0842","0.0505","","","0.0959","0.1079","","","","","","1.084","","","","has coordinates,has Fobs","187748","2020-10-21","18:00:00",""
"1544440","14.7421","0.0006","17.5573","0.0006","21.4675","0.0009","90","","90","","90","","5556.5","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","","- C34 H27 N5 O2 -","- C34 H27 N5 O2 -","- C272 H216 N40 O16 -","8","1","SU4077","Seethalakshmi, P.; Palanivel, C.","1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","IUCrData","2016","1","11","x161686","","10.1107/S2414314616016862","","","0.71073","MoKα","","0.0764","0.0402","","","0.0767","0.0951","","","","","","0.969","","","","has coordinates,has Fobs","187751","2020-10-21","18:00:00",""
"1544517","14.9782","0.0004","15.0278","0.0003","17.4463","0.0012","90","","90","","90","","3927","0.3","93","2","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ir(pyalk)2Cl2, ""yellow isomer""","cis-Cl, trans-O, cis-N-bis(2-{pyridin-2-yl}propan-2-olato)-dichloro-iridium(IV)","","- C33 H42 Cl6 Ir2 N4 O4 -","- C33 H42 Cl6 Ir2 N4 O4 -","- C132 H168 Cl24 Ir8 N16 O16 -","4","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.","A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.","Chemical science","2017","8","2","1642","1652","10.1039/c6sc03758e","","","0.71073","MoKα","","0.0439","0.0369","","","0.0961","0.1013","","","","","","0.903","","","","has coordinates,has disorder","196354","2020-10-21","18:00:00",""
"1544531","13.978","0.002","13.208","0.0019","22.137","0.003","90","","90","","90","","4087","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","WM4031","Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail","Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K","IUCrData","2016","1","11","x161735","","10.1107/S2414314616017351","","","0.71073","MoKα","","0.0508","0.0338","","","0.0805","0.0884","","","","","","1.057","","","","has coordinates,has Fobs","188344","2020-10-21","18:00:00",""
"1544533","9.257","0.002","17.518","0.004","6.81","0.002","90","","90","","90","","1104.3","0.5","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H O6 P Tl V -","- O6 P Tl V -","- O48 P8 Tl8 V8 -","8","1","","Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P.","Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4)","Journal of Solid State Chemistry","1991","93","","514","525","10.1016/0022-4596(91)90326-D","","x-ray","0.71069","MoKα","","","0.048","","","0.048","","","","","","","1.71","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1544543","14.8773","0.0002","12.2499","0.0002","19.3288","0.0003","90","","90","","90","","3522.59","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ferrocenecarboxylic anhydride","","- C22 H18 Fe2 O3 -","- C22 H18 Fe2 O3 -","- C176 H144 Fe16 O24 -","8","1","HB4093","McAdam, C. John; Simpson, Jim","Ferrocenecarboxylic anhydride: a redetermination","IUCrData","2016","1","11","x161769","","10.1107/S2414314616017697","","","1.54184","CuKα","","0.0313","0.0295","","","0.0879","0.0904","","","","","","0.843","","","","has coordinates,has Fobs","188385","2020-10-21","18:00:00",""
"1544554","6.657","0.002","34.537","0.013","19.811","0.008","90","","90","","90","","4555","3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(tert-butyldimethylsilyl)-10-(trimethylsilyl)dibenzo[a,e]pentalene","","- C25 H32 Si2 -","- C25 H32 Si2 -","- C200 H256 Si16 -","8","1","","Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko","Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction.","Chemical science","2017","8","1","101","107","10.1039/c6sc04560j","","","0.71075","MoKα","","0.114","0.0987","","","0.2249","0.2401","","","","","","1.318","","","","has coordinates","196310","2020-10-21","18:00:00",""
"1544657","9.0651","0.0011","8.8852","0.001","33.617","0.005","90","","90","","90","","2707.7","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium) tetraiodoplumbate","bis(6-iodohexan-1-aminium) tetraiodoplumbate","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.","Decreasing the electronic confinement in layered perovskites through intercalation.","Chemical science","2017","8","3","1960","1968","10.1039/c6sc02848a","","","0.71073","MoKα","","0.043","0.0315","","","0.0661","0.0706","","","","","","1.123","","","","has coordinates,has disorder","196369","2020-10-21","18:00:00",""
"1544692","11.0177","0.0015","7.8508","0.0011","29.691","0.004","90","","90","","90","","2568.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C120 H112 N16 S8 -","8","1","SJ4063","Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying","4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","IUCrData","2016","1","11","x161847","","10.1107/S2414314616018472","","","0.71073","MoKα","","0.0632","0.0426","","","0.131","0.1535","","","","","","1.046","","","","has coordinates,has Fobs","188754","2020-10-21","18:00:00",""
"1544822","8.2","0.0008","12.4012","0.0012","21.182","0.002","90","","90","","90","","2154","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker","Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds.","Chemical science","2017","8","3","2431","2435","10.1039/c6sc05026c","","","0.71073","MoKα","","0.1398","0.0595","","","0.0968","0.1205","","","","","","1.038","","","","has coordinates","196363","2020-10-21","18:00:00",""
"1544926","18.8274","0.0007","12.704","0.0005","19.8612","0.0007","90","","90","","90","","4750.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H10 Al F15 O2 -","- C24 H10 Al F15 O2 -","- C192 H80 Al8 F120 O16 -","8","1","","Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X.","Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism","Macromolecules","2017","50","1","123","","10.1021/acs.macromol.6b02398","","","0.71073","MoKα","","0.0492","0.0387","","","0.092","0.0981","","","","","","1.062","","","","has coordinates","191362","2020-10-21","18:00:00",""
"1544962","12.422","0.003","14.815","0.004","17.902","0.005","90","","90","","90","","3294.5","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Cheng, Jian; Li, Weipeng; Duan, Yingqian; Cheng, Yixiang; Yu, Shouyun; Zhu, Chengjian","Relay Visible-Light Photoredox Catalysis: Synthesis of Pyrazole Derivatives via Formal [4 + 1] Annulation and Aromatization.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03497","","","0.71073","MoKα","","0.1048","0.0646","","","0.1187","0.1361","","","","","","1.128","","","","has coordinates","189716","2020-10-21","18:00:00",""
"1545102","14.482","0.006","15.42","0.007","27.296","0.009","90","","90","","90","","6096","4","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H44 N2 O2 Zn -","- C36 H44 N2 O2 Zn -","- C288 H352 N16 O16 Zn8 -","8","1","","Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta","Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes.","Inorganic chemistry","2017","56","3","1349","1365","10.1021/acs.inorgchem.6b02439","","","1.54184","CuKα","","0.1172","0.0648","","","0.1466","0.1808","","","","","","1.004","","","","has coordinates","193448","2020-10-21","18:00:00",""
"1545117","7.4379","0.0004","18.736","0.0011","25.4469","0.0014","90","","90","","90","","3546.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","","- C20 H14 Br2 N2 O2 -","- C20 H14 Br2 N2 O2 -","- C160 H112 Br16 N16 O16 -","8","1","","Dekar, Souad; Bendia, Sabrina; Ouari, Kamel","2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)","IUCrData","2017","2","1","x170077","","10.1107/S2414314617000773","","","0.71073","MoKα","","0.0597","0.0365","","","0.0665","0.0722","","","","","","1.041","","","","has coordinates,has Fobs","190802","2020-10-21","18:00:00",""
"1545185","8.298","0.0006","22.1664","0.0017","28.917","0.002","90","","90","","90","","5318.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Np Si3 -","- C24 H39 Np Si3 -","- C192 H312 Np8 Si24 -","8","1","","Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.","Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding","Chem. Sci.","2017","8","4","2553","","10.1039/C7SC00034K","","","0.71073","MoKα","","0.0866","0.0393","","","0.049","0.0567","","","","","","1.027","","","","has coordinates","195014","2020-10-21","18:00:00",""
"1545206","16.9672","0.0019","16.6921","0.0019","21.14","0.003","90","","90","","90","","5987.2","1.3","173.15","","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 N7 O9 S -","- C28 H33 N7 O9 S -","- C224 H264 N56 O72 S8 -","8","1","","Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian","Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State.","Organic letters","2017","19","3","738","741","10.1021/acs.orglett.7b00070","","","0.71073","MoKα","","0.0643","0.064","","","0.1531","0.1533","","","","","","1.285","","","","has coordinates","191298","2020-10-21","18:00:00",""
"1545266","10.393","0.0005","22.3163","0.001","39.5129","0.0017","90","","90","","90","","9164.4","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","IodoPlumboleRuthenocene","","- C44 H69 I Pb Ru Si2 -","- C44 H69 I Pb Ru Si2 -","- C352 H552 I8 Pb8 Ru8 Si16 -","8","1","","Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi","Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element","Chem. Sci.","2017","8","4","3092","","10.1039/C6SC04843A","","","0.71073","MoKα","","0.069","0.0471","","","0.0918","0.0987","","","","","","1.077","","","","has coordinates,has disorder","195005","2020-10-21","18:00:00",""
"1545272","15.3952","0.0008","13.019","0.0006","38.748","0.002","90","","90","","90","","7766.3","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 Br4 Fe N2 -","- C11 H23 Br4 Fe N2 -","- C176 H368 Br64 Fe16 N32 -","16","2","","Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi","Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation.","Organic letters","2017","19","5","1132","1135","10.1021/acs.orglett.7b00148","","","0.71073","MoKα","","0.1576","0.0661","","","0.137","0.1629","","","","","","0.89","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545406","4.8748","0.0008","17.909","0.003","23.571","0.004","90","","90","","90","","2057.8","0.6","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N2 O5 -","- C11 H10 N2 O5 -","- C88 H80 N16 O40 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.051","0.0385","","","0.0844","0.0903","","","","","","1.106","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545411","6.92797","0.00019","14.3084","0.0003","37.5013","0.0019","90","","90","","90","","3717.4","0.2","123.01","0.1","123.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C176 H176 O48 -","8","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0592","0.0485","","","0.1263","0.1344","","","","","","1.1","","","","has coordinates,has disorder","193206","2020-10-21","18:00:00",""
"1545437","7.7792","0.001","11.9136","0.0013","25.989","0.003","90","","90","","90","","2408.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O3 -","- C12 H12 Br N O3 -","- C96 H96 Br8 N8 O24 -","8","1","","Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min","Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds.","Organic letters","2017","19","5","1124","1127","10.1021/acs.orglett.7b00040","","x-ray","0.71073","MoKα","","0.1852","0.1015","","","0.243","0.3221","","","","","","0.974","","","","has coordinates","193359","2020-10-21","18:00:00",""
"1545454","8.5547","0.0008","20.782","0.002","21.537","0.002","90","","90","","90","","3828.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21.87 H14.18 Br N O S -","- C21.87 H14.18 Br N O S -","- C174.96 H113.44 Br8 N8 O8 S8 -","8","1","","Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit","Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides.","Organic letters","2017","19","4","774","777","10.1021/acs.orglett.6b03735","","","0.71073","MoKα","","0.0936","0.0572","","","0.1512","0.1724","","","","","","1.043","","","","has coordinates,has disorder","193373","2020-10-21","18:00:00",""
"1545495","7.3148","0.0006","8.403","0.0006","27.67","0.002","90","","90","","90","","1700.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HB4112","Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.","4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one","IUCrData","2017","2","2","x170097","","10.1107/S2414314617000979","","","1.54178","CuKα","","0.0298","0.0292","","","0.0755","0.0761","","","","","","1.042","","","","has coordinates,has Fobs","193957","2020-10-21","18:00:00",""
"1545510","9.2267","0.0003","9.9695","0.0004","28.6206","0.001","90","","90","","90","","2632.68","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","1","","Liu, Chengwei; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling of N-Mesylamides by N‒C Cleavage: Electronic Effect of the Mesyl Group","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00373","","","1.54178","CuKα","","0.0288","0.0287","","","0.0756","0.0756","","","","","","1.089","","","","has coordinates","194013","2020-10-21","18:00:00",""
"1545536","34.859","0.007","29.286","0.006","51.432","0.01","90","","90","","90","","52506","18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C205.5 H135.5 Ca6.25 N32 O82.5 -","- C1644 H1084 Ca50 N256 O660 -","8","1","","Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan","Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers","Chem. Sci.","2017","8","5","3741","","10.1039/C7SC00430C","","","0.8856","synchrotron","","0.1603","0.1568","","","0.5004","0.5118","","","","","","2.893","","","","has coordinates,has disorder","196328","2020-10-21","18:00:00",""
"1545546","14.0154","0.0006","12.5288","0.0005","16.4104","0.0006","90","","90","","90","","2881.6","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 N4 O Pb -","- C12 H10 Cl2 N4 O Pb -","- C96 H80 Cl16 N32 O8 Pb8 -","8","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.1219","0.0657","","","0.0898","0.1021","","","","","","1.108","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545601","16.0287","0.0005","18.8615","0.0004","22.0793","0.0005","90","","90","","90","","6675.1","0.3","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Cl6 N7 Ni O2 Re -","- C23 H28 Cl6 N7 Ni O2 Re -","- C184 H224 Cl48 N56 Ni8 O16 Re8 -","8","1","","Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.","Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5250","5259","10.1039/c7dt00752c","","x-ray","0.71073","MoKα","","0.0667","0.0504","","","0.072","0.0764","","","","","","1.208","","","","has coordinates","196416","2020-10-21","18:00:00",""
"1545665","8.2331","0.0006","13.1144","0.001","25.5836","0.0019","90","","90","","90","","2762.3","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","o-tol","","","- C16 H13 B F2 O2 -","- C16 H13 B F2 O2 -","- C128 H104 B8 F16 O16 -","8","1","","Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi","Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides","Photochem. Photobiol. Sci.","2017","","","","","10.1039/C7PP00005G","","","0.71075","MoKα","","0.1237","0.0758","","","0.2059","0.2586","","","","","","1.088","","","","has coordinates","194645","2020-10-21","18:00:00",""
"1545689","20.444","0.001","18.957","0.001","20.8205","0.0011","90","","90","","90","","8069.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H53 B F4 Ir N5 -","- C42 H53 B F4 Ir N5 -","- C336 H424 B8 F32 Ir8 N40 -","8","1","","Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A.","A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights","Chem. Sci.","2017","","","","","10.1039/C6SC04899D","","","0.71073","MoKα","","0.0571","0.031","","","0.0676","0.0789","","","","","","1.03","","","","has coordinates,has disorder","195222","2020-10-21","18:00:00",""
"1545701","19.215","0.0005","17.7981","0.0005","19.7244","0.0006","90","","90","","90","","6745.6","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","jw116b","","","- C28 H26 Co4 F6 N4 O12 -","- C28 H26 Co4 F6 N4 O12 -","- C224 H208 Co32 F48 N32 O96 -","8","1","","Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don","Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation","Chem. Sci.","2017","","","","","10.1039/C7SC00627F","","","0.71073","MoKα","","0.0731","0.0482","","","0.1156","0.1292","","","","","","1.048","","","","has coordinates,has disorder","195271","2020-10-21","18:00:00",""
"1545719","8.759","0.004","15.074","0.007","21.337","0.01","90","","90","","90","","2817","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yousuf, Md; Adhikari, Susanta","One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles.","Organic letters","2017","19","9","2214","2217","10.1021/acs.orglett.7b00490","","","0.71073","MoKα","","0.0962","0.0508","","","0.1392","0.1809","","","","","","0.984","","","","has coordinates","197494","2020-10-21","18:00:00",""
"1545752","10.075","0.001","18.506","0.003","16.06","0.002","90","","90","","90","","2994.4","0.7","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C4 H14 F2 Ga3 N2 O12 P3 -","- C4 F2 Ga3 N2 O12 P3 -","- C32 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.033","","","0.033","","","","","","","","","","","has coordinates","195507","2020-10-21","18:00:00",""
"1545753","10.156","0.003","18.672","0.009","16.367","0.007","90","","90","","90","","3104","2","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C5 H16 F2 Ga3 N2 O12 P3 -","- C5 F2 Ga3 N2 O12 P3 -","- C40 F16 Ga24 N16 O96 P24 -","8","1","","Thierry Loiseau; Francis Taulelle; Gerard Ferey","Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization","Microporous Materials","1996","5","","365","379","10.1016/0927-6513(95)00073-9","","x-ray","0.71069","MoKα","","","0.044","","","0.044","","","","","","","","","","","has coordinates","195508","2020-10-21","18:00:00",""
"1545801","8.3343","0.0003","8.2225","0.0004","27.6171","0.0015","90","","90","","90","","1892.57","0.15","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium) tetrabromoplumbate","","- C8 H24 Br4 N2 Pb -","- C8 H24 Br4 N2 Pb -","- C32 H96 Br16 N8 Pb4 -","4","0.5","","Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.","Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites","Chem. Sci.","2017","","","","","10.1039/C7SC01590A","","","0.71073","MoKα","","0.0438","0.0277","","","0.0605","0.066","","","","","","1.137","","","","has coordinates","195736","2020-10-21","18:00:00",""
"1545990","17.819","0.003","17.457","0.003","34.337","0.005","90","","90","","90","","10681","3","173","2","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C61 H71 N3 O10 -","- C61 H71 N3 O10 -","- C488 H568 N24 O80 -","8","1","","Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J.","Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle","Chem. Sci.","2017","8","5","3898","","10.1039/C7SC00790F","","","0.71073","MoKα","","0.1513","0.1148","","","0.2232","0.2406","","","","","","1.166","","","","has coordinates,has disorder","196226","2020-10-21","18:00:00",""
"1546115","10.9323","0.0007","14.5698","0.001","21.091","0.0014","90","","90","","90","","3359.4","0.4","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0326","0.0238","","","0.0839","0.0904","","","","","","1.106","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546116","10.932","0.002","14.57","0.002","21.091","0.003","90","","90","","90","","3359.4","0.9","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine","Validation of experimental charge-density refinement strategies: when do we overfit?","IUCrJ","2017","4","4","","","10.1107/S2052252517005103","","","0.71073","MoKα","","0.0186","0.0183","","","","0.0157","0.0117","","","","","1.204","","","","has coordinates","196973","2020-10-21","18:00:00",""
"1546124","15.862","0.002","15.219","0.002","18.723","0.003","90","","90","","90","","4519.8","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong","Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles.","Organic letters","2017","19","12","3307","3310","10.1021/acs.orglett.7b01469","","","0.71073","MoKα","","0.0756","0.052","","","0.1406","0.1577","","","","","","1.043","","","","has coordinates","198425","2020-10-21","18:00:00",""
"1546133","12.0727","0.0015","12.564","0.0016","26.304","0.003","90","","90","","90","","3989.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 B10 N2 -","- C18 H22 B10 N2 -","- C144 H176 B80 N16 -","8","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.0627","0.0513","","","0.1373","0.1484","","","","","","1.041","","","","has coordinates","197056","2020-10-21","18:00:00",""
"1546148","14.2637","0.0005","17.4799","0.0006","17.7014","0.0006","90","","90","","90","","4413.5","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O6 Re -","- C22 H26 Mn N2 O6 Re -","- C176 H208 Mn8 N16 O48 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0227","0.0196","","","0.0468","0.0477","","","","","","1.161","","","","has coordinates","197092","2020-10-21","18:00:00",""
"1546154","15.9799","0.0004","15.253","0.0004","17.7327","0.0005","90","","90","","90","","4322.2","0.2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Mn N3 O2 S -","- C23 H26 Mn N3 O2 S -","- C184 H208 Mn8 N24 O16 S8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0397","0.0296","","","0.074","0.0793","","","","","","1.034","","","","has coordinates","197098","2020-10-21","18:00:00",""
"1546157","14.7377","0.0007","16.7073","0.0008","18.4223","0.0009","90","","90","","90","","4536.1","0.4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Mn N2 O8 Re -","- C22 H26 Mn N2 O8 Re -","- C176 H208 Mn8 N16 O64 Re8 -","8","1","","Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi","Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers","The Journal of Physical Chemistry C","2017","","","","","10.1021/acs.jpcc.7b03336","","","0.71073","MoKα","","0.0565","0.0531","","","0.1031","0.1043","","","","","","1.329","","","","has coordinates","197101","2020-10-21","18:00:00",""
"1546315","15.766","0.002","11.5833","0.0016","17.044","0.002","90","","90","","90","","3112.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0733","0.0476","","","0.1132","0.1274","","","","","","1.027","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546316","7.367","0.005","19.893","0.015","20.426","0.015","90","","90","","90","","2993","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An","One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines.","Organic letters","2017","19","13","3406","3409","10.1021/acs.orglett.7b01362","","","0.71073","MoKα","","0.0829","0.0656","","","0.1951","0.214","","","","","","1.078","","","","has coordinates","200747","2020-10-21","18:00:00",""
"1546390","10.0487","0.0006","18.9832","0.0012","22.2949","0.0013","90","","90","","90","","4252.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 B2 F8 K2 N8 -","- C16 B2 F8 K2 N8 -","- C128 B16 F64 K16 N64 -","8","1","","Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik","Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates","Chem. Sci.","2017","","","","","10.1039/C7SC02249B","","","0.71073","MoKα","","0.0642","0.0575","","","0.147","0.1509","","","","","","1.134","","","","has coordinates","198148","2020-10-21","18:00:00",""
"1546407","10.5047","0.0008","14.9725","0.0011","27.75","0.002","90","","90","","90","","4364.6","0.6","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C192 H96 Br32 N16 -","8","1","","Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan","N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption","Macromolecules","2017","","","","","10.1021/acs.macromol.7b00971","","","0.71073","MoKα","","0.0309","0.0207","","","0.0475","0.0486","","","","","","0.919","","","","has coordinates","198177","2020-10-21","18:00:00",""
"1546427","9.1341","0.0006","13.5068","0.0009","16.573","0.0011","90","","90","","90","","2044.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Mn N4 O6 S2 -","- C16 H26 Mn N4 O6 S2 -","- C64 H104 Mn4 N16 O24 S8 -","4","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0355","0.0266","","","0.0598","0.0637","","","","","","1.033","","","","has coordinates","198234","2020-10-21","18:00:00",""
"1546428","11.8868","0.0003","13.8324","0.0003","29.9847","0.0008","90","","90","","90","","4930.2","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Mn N4 O9 S2 -","- C16 H32 Mn N4 O9 S2 -","- C128 H256 Mn8 N32 O72 S16 -","8","1","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0452","0.0302","","","0.0698","0.076","","","","","","1.012","","","","has coordinates","198235","2020-10-21","18:00:00",""
"1546432","6.3646","0.0007","17.4661","0.0018","27.475","0.003","90","","90","","90","","3054.3","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V.","Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01556","","","0.71073","MoKα","","0.0755","0.0503","","","0.1046","0.1152","","","","","","1.015","","","","has coordinates","198267","2020-10-21","18:00:00",""
"1546454","16.1393","0.0003","7.9763","0.0002","34.8942","0.0007","90","","90","","90","","4492","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B N4 -","- C24 H27 B N4 -","- C192 H216 B8 N32 -","8","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0549","0.0514","","","0.1465","0.1501","","","","","","1.057","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546464","11.8766","0.0006","11.7308","0.0006","23.6382","0.0013","90","","90","","90","","3293.3","0.3","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H27 F2 N O Si -","- C13 H27 F2 N O Si -","- C104 H216 F16 N8 O8 Si8 -","8","1","","Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D.","Radical Silyldifluoromethylation of Electron-Deficient Alkenes.","Organic letters","2017","19","12","3215","3218","10.1021/acs.orglett.7b01334","","","0.71073","MoKα","","0.0537","0.0396","","","0.092","0.1025","","","","","","1.072","","","","has coordinates","198404","2020-10-21","18:00:00",""
"1546517","13.8754","0.0011","14.2531","0.0012","17.5717","0.0014","90","","90","","90","","3475.1","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DBXS","","","- C17 H19 B F6 S -","- C17 H19 B F6 S -","- C136 H152 B8 F48 S8 -","8","1","","Noto, Naoki; Koike, Takashi; Akita, Munetaka","Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis","Chem. Sci.","2017","","","","","10.1039/C7SC01703K","","","0.71073","MoKα","","0.0306","0.0279","","","0.0694","0.072","","","","","","0.98","","","","has coordinates","198613","2020-10-21","18:00:00",""
"1546519","10.159","0.004","9.48","0.004","29.456","0.01","90","","90","","90","","2836.8","1.9","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O3 -","- C17 H11 F3 O3 -","- C136 H88 F24 O24 -","8","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.1075","0.0635","","","0.1258","0.1409","","","","","","1.081","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546528","20.6097","0.0011","8.9853","0.0004","21.9169","0.0008","90","","90","","90","","4058.7","0.3","298.84","0.1","298.84","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C168 H184 N8 O40 S8 -","8","1","","Li, Xing-Shuo; Zhao, Liang-Liang; Wang, Xiao-Ke; Cao, Li−Li; Shi, Xiao-Qian; Zhang, Rui; Qi, Jing","Enantioselective [3 + 2] Annulation of Enals with 2-Aminoacrylates Catalyzed by N-Heterocyclic Carbene","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01860","","x-ray","0.71073","MoKα","","0.1231","0.0633","","","0.1358","0.1752","","","","","","1.044","","","","has coordinates","198695","2020-10-21","18:00:00",""
"1546601","12.864","0.0019","14.501","0.002","16.567","0.003","90","","90","","90","","3090.4","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core.","Organic letters","2017","19","7","1870","1873","10.1021/acs.orglett.7b00630","","","0.71073","MoKα","","0.0477","0.0345","","","0.0786","0.085","","","","","","1.043","","","","has coordinates","199593","2020-10-21","18:00:00",""
"1546626","7.56","0.004","20.153","0.011","23.743","0.012","90","","90","","90","","3617","3","93","2","93","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H18 -","- C30 H18 -","- C240 H144 -","8","1","","Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito","Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2017","","","","","10.1039/c7pp00040e","","","0.71075","MoKα","","0.0846","0.0775","","","0.1591","0.1627","","","","","","1.3","","","","has coordinates","199038","2020-10-21","18:00:00",""
"1546658","13.9866","0.0006","7.9972","0.0004","23.122","0.001","90","","90","","90","","2586.3","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone","","- C12 H13 Cl2 N O2 -","- C12 H13 Cl2 N O2 -","- C96 H104 Cl16 N8 O16 -","8","1","SU4151","Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G.","(2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis","IUCrData","2017","2","6","x170813","","10.1107/S2414314617008136","","","0.71073","MoKα","","0.0979","0.0483","","","0.1258","0.1638","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","199252","2020-10-21","18:00:00",""
"1546673","9.2518","0.0002","10.3432","0.0002","38.5674","0.0007","90","","90","","90","","3690.64","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H14 Cl N O2 S -","- C22 H14 Cl N O2 S -","- C176 H112 Cl8 N8 O16 S8 -","8","1","SJ4110","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2017","2","5","x170677","","10.1107/S2414314617006770","","","0.71073","MoKα","","0.0742","0.047","","","0.1117","0.1275","","","","","","1.021","","","","has coordinates,has Fobs","199267","2020-10-21","18:00:00",""
"1546711","7.37174","0.00013","12.5726","0.0003","26.4454","0.0005","90","","90","","90","","2451.01","0.09","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","","- C11 H9 F3 N2 O3 S -","- C11 H9 F3 N2 O3 S -","- C88 H72 F24 N16 O24 S8 -","8","1","","Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai","2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate","IUCrData","2017","2","5","x170689","","10.1107/S2414314617006897","","","0.71075","MoKα","","","0.0284","","","","0.0772","","","","","","1.036","","","","has coordinates,has Fobs","199307","2020-10-21","18:00:00",""
"1546759","17.9286","0.0009","17.5371","0.0009","24.5618","0.0013","90","","90","","90","","7722.6","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H63 B Li N O3 -","- C40 H63 B Li N O3 -","- C320 H504 B8 Li8 N8 O24 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0818","0.0531","","","0.1133","0.1275","","","","","","1.017","","","","has coordinates,has disorder","199537","2020-10-21","18:00:00",""
"1546761","15.5756","0.001","16.3913","0.001","18.0729","0.0011","90","","90","","90","","4614.1","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H39 B N2 -","- C25 H39 B N2 -","- C200 H312 B8 N16 -","8","1","","Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas","Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor","Chem. Sci.","2017","","","","","10.1039/C7SC03193A","","","0.71073","MoKα","","0.0887","0.0466","","","0.1073","0.1295","","","","","","1.02","","","","has coordinates","199537","2020-10-21","18:00:00",""
"1546762","9.411","0.003","14.986","0.004","19.855","0.006","90","","90","","90","","2800.2","1.4","100.2","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-2-Nitro-N-(1-oxidotetrahydro-2H-thiopyran-4-yl)benzenesulfonamide","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C88 H112 N16 O40 S16 -","8","1","","Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji","Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives","Organic Process Research & Development","2017","21","7","1034","","10.1021/acs.oprd.7b00147","","","1.5419","CuKα","","0.0439","0.0328","","","0.0834","0.1009","","","","","","0.177","","","","has coordinates","199561","2020-10-21","18:00:00",""
"1546808","16.7707","0.0016","28.016","0.003","29.924","0.003","90","","90","","90","","14060","2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H58 B2 F8 Fe4 N14 O16 -","- C68 H58 B2 F8 Fe4 N14 O16 -","- C544 H464 B16 F64 Fe32 N112 O128 -","8","1","","Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar","Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand","Dalton Transactions","2017","46","37","12612","12618","10.1039/C7DT02433A","","","0.71073","MoKα","","0.1541","0.0733","","","0.1483","0.1767","","","","","","1.042","","","","has coordinates,has disorder","282777","2023-04-20","11:56:47",""
"1546844","18.019","0.003","7.671","0.0012","23.088","0.003","90","","90","","90","","3191.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 Cl2 Mn3 N2 O11 -","- C28 H22 Cl2 Mn3 N2 O11 -","- C112 H88 Cl8 Mn12 N8 O44 -","4","0.5","","Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing","Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties","CrystEngComm","2017","19","38","5755","5763","10.1039/C7CE01042G","","","0.71073","MoKα","","0.0474","0.036","","","0.0815","0.0858","","","","","","1.099","","","","has coordinates,has disorder","282777","2023-04-20","11:56:49",""
"1546848","7.8558","0.0003","13.5861","0.0005","31.5006","0.0014","90","","90","","90","","3362","0.2","289","0.5","289","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 N6 O7 Zn -","- C16 H10 N6 O7 Zn -","- C128 H80 N48 O56 Zn8 -","8","1","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.7107","MoKα","","0.0566","0.0401","","","0.0926","0.1031","","","","","","1.088","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546849","7.838","0.003","13.665","0.008","30.941","0.007","90","","90","","90","","3314","2","289.73","0.11","289.73","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","- C128 H80 Cu8 N48 O56 -","1","0.125","","Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping","Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties","CrystEngComm","2017","19","39","5864","5872","10.1039/C7CE01379E","","","0.71073","MoKα","","0.2257","0.103","","","0.2286","0.2927","","","","","","1.07","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1546899","16.9924","0.0006","16.5973","0.0005","17.5163","0.0006","90","","90","","90","","4940.1","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)diphenyl(phenylethynyl)borate","","- C29 H36 B P -","- C29 H36 B P -","- C232 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0386","0.0344","","","0.0918","0.095","","","","","","1.035","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546904","17.3762","0.0006","15.4227","0.0005","17.5727","0.0006","90","","90","","90","","4709.3","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","((di-tert-butylphosphonio)methyl)triphenylborate","","- C27 H36 B P -","- C27 H36 B P -","- C216 H288 B8 P8 -","8","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","1.54178","CuKα","","0.0454","0.0403","","","0.1035","0.1076","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1546910","21.8782","0.0004","22.7145","0.0004","39.349","0.003","90","","90","","90","","19554.6","1.6","200","","200","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 -","- C704 H656 Ag8 Cl24 F168 O40 P24 Pd24 S24 Sb16 -","8","1","","Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent","All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations","Chem. Sci.","2017","","","","","10.1039/C7SC03475J","","","1.54187","CuKα","","0.0876","0.0665","","","0.1604","0.192","","","","","","1.16","","","","has coordinates","199995","2020-10-21","18:00:00",""
"1546993","10.697","0.007","9.083","0.006","35.93","0.02","90","","90","","90","","3491","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang","From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones.","Organic letters","2017","19","19","5026","5029","10.1021/acs.orglett.7b02052","","","0.71073","MoKα","","0.0551","0.0401","","","0.0956","0.1051","","","","","","1.024","","","","has coordinates","202785","2020-10-21","18:00:00",""
"1547033","14.4398","0.0005","8.7058","0.0003","23.2532","0.0007","90","","90","","90","","2923.16","0.17","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 O4 -","- C16 H21 O4 -","- C128 H168 O32 -","8","1","","Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang","Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction.","Organic letters","2017","19","17","4648","4651","10.1021/acs.orglett.7b02274","","","1.54178","CuKα","","0.0413","0.0391","","","0.1191","0.1223","","","","","","0.984","","","","has coordinates","200542","2020-10-21","18:00:00",""
"1547161","14.514","0.004","10.865","0.003","44.055","0.011","90","","90","","90","","6947","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C320 H320 N32 O32 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.6525","","","0.0465","0.0427","","","0.1188","0.1257","","","","","","1.1","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547162","12.6363","0.0013","23.284","0.002","25.125","0.003","90","","90","","90","","7392.4","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H52 O8 -","- C40 H52 O8 -","- C320 H416 O64 -","8","1","","Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing","Bay- and Ortho-Octasubstituted Perylenes.","Organic letters","2017","19","19","5094","5097","10.1021/acs.orglett.7b02370","","","0.71073","MoKα","","0.1343","0.0843","","","0.225","0.2622","","","","","","1.04","","","","has coordinates,has disorder","202780","2020-10-21","18:00:00",""
"1547187","7.5481","0.0006","21.3823","0.0013","27.862","0.002","90","","90","","90","","4496.8","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl2 N4 O4 -","- C22 H20 Cl2 N4 O4 -","- C176 H160 Cl16 N32 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.067","","","","0.1965","","","","","","0.998","","","","has coordinates","200927","2020-10-21","18:00:00",""
"1547195","11.3435","0.0013","12.4428","0.0013","18.028","0.002","90","","90","","90","","2544.6","0.5","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C112 H128 O32 -","8","1","","Smith, Brandon R.; Njardarson, Jon T.","Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core.","Organic letters","2017","19","19","5316","5319","10.1021/acs.orglett.7b02606","","x-ray","0.71073","MoKα","","0.0752","0.0522","","","0.1295","0.1429","","","","","","1.045","","","","has coordinates","202775","2020-10-21","18:00:00",""
"1547213","12.7424","0.0009","17.4112","0.0007","21.0833","0.001","90","","90","","90","","4677.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N12 O12 -","- C16 H20 N12 O12 -","- C128 H160 N96 O96 -","8","1","","Gustavo Portalone","Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil","Chemistry Central Journal","2011","5","","51","","10.1186/1752-153X-5-51","","","0.71069","MoKα","","0.1339","0.0801","","","0.1233","0.1386","","","","","","1.164","","","","has coordinates","200978","2020-10-21","18:00:00",""
"1547236","13.6337","0.0007","14.573","0.0007","17.0961","0.0009","90","","90","","90","","3396.7","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl Co F N O2 -","- C18 H18 Cl Co F N O2 -","- C144 H144 Cl8 Co8 F8 N8 O16 -","8","1","","Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin","Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles.","Organic letters","2017","19","19","5348","5351","10.1021/acs.orglett.7b02632","","","1.54178","CuKα","","0.0731","0.0531","","","0.134","0.1469","","","","","","1.037","","","","has coordinates","202786","2020-10-21","18:00:00",""
"1547238","15.2176","0.0005","8.3864","0.0003","32.8506","0.0011","90","","90","","90","","4192.4","0.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 S2 -","- C29 H16 S2 -","- C232 H128 S16 -","8","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.","Organic letters","2017","19","19","5082","5085","10.1021/acs.orglett.7b02337","","","1.54187","CuKα","","0.1155","0.0779","","","0.195","0.239","","","","","","1.127","","","","has coordinates","202789","2020-10-21","18:00:00",""
"1547242","12.4248","0.0013","20.3497","0.0015","20.8058","0.0015","90","","90","","90","","5260.6","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 F6 N3 P2 Ru -","- C23 H33 F6 N3 P2 Ru -","- C184 H264 F48 N24 P16 Ru8 -","8","1","","Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi","Designing bifunctional alkene isomerization catalysts using predictive modelling","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01106G","","x-ray","0.71073","MoKα","","0.0491","0.0307","","","0.0639","0.072","","","","","","1.02","","","","has coordinates","201053","2020-10-21","18:00:00",""
"1547283","5.6343","0.0006","11.2778","0.0012","15.9493","0.0016","90","","90","","90","","1013.46","0.18","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","7.3694","2.0321","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547284","5.6351","0.0005","11.3134","0.0009","15.9647","0.0011","90","","90","","90","","1017.78","0.14","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.4958","1.8298","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547285","5.6443","0.0005","11.3472","0.001","15.9872","0.0011","90","","90","","90","","1023.93","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","6.9791","1.7595","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547286","5.6581","0.0006","11.3735","0.0013","16.0267","0.0015","90","","90","","90","","1031.36","0.19","600","","600","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.0249","1.7096","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547287","5.6848","0.0012","11.3764","0.0019","16.09","0.003","90","","90","","90","","1040.6","0.3","700","","700","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","- Fe14.4 K14.4 O32 Ti1.6 -","1","0.125","","Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A.","Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling","The Journal of Physical Chemistry C","2017","121","39","21128","","10.1021/acs.jpcc.7b05164","powder diffraction","","1.494","Neutron","","","","","","","","","8.5117","1.7788","","","","","","","has coordinates","202768","2020-10-21","18:00:00",""
"1547429","9.0785","0.0002","11.5265","0.0003","22.8581","0.0006","90","","90","","90","","2391.95","0.1","149.4","0.9","149.4","0.9","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.043","0.0362","","","0.0964","0.1012","","","","","","1.096","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547430","9.0963","0.0002","11.5574","0.0003","22.8612","0.0007","90","","90","","90","","2403.39","0.11","174.9","0.3","174.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0374","","","0.0962","0.1021","","","","","","1.056","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547431","9.0885","0.0006","11.5482","0.0007","22.7898","0.0012","90","","90","","90","","2391.9","0.2","184.9","0.1","184.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0534","0.0399","","","0.0932","0.1003","","","","","","1.064","","","","has coordinates","201433","2020-10-21","18:00:00",""
"1547432","9.0907","0.0003","11.5779","0.0004","22.8104","0.0007","90","","90","","90","","2400.82","0.14","199","0.1","199","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0373","","","0.0954","0.1017","","","","","","1.029","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547433","9.1074","0.0003","11.6193","0.0005","22.8456","0.0009","90","","90","","90","","2417.56","0.16","229.9","0.1","229.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0635","0.0435","","","0.1001","0.1113","","","","","","1.08","","","","has coordinates","201435","2020-10-21","18:00:00",""
"1547434","9.1228","0.0004","11.6522","0.0006","22.8488","0.001","90","","90","","90","","2428.8","0.2","260","0.1","260","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0661","0.0449","","","0.1015","0.1148","","","","","","1.088","","","","has coordinates","201436","2020-10-21","18:00:00",""
"1547435","9.1349","0.0003","11.6868","0.0004","22.866","0.0008","90","","90","","90","","2441.12","0.14","298","0.1","298","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0597","0.043","","","0.1031","0.1136","","","","","","1.016","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547436","9.0823","0.0003","11.5422","0.0002","22.8439","0.0003","90","","90","","90","","2394.72","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0614","0.044","","","0.1026","0.1132","","","","","","1.001","","","","has coordinates","201438","2020-10-21","18:00:00",""
"1547437","9.0881","0.0003","11.5538","0.0002","22.8478","0.0003","90","","90","","90","","2399.07","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.062","0.0441","","","0.1028","0.1149","","","","","","1","","","","has coordinates","201439","2020-10-21","18:00:00",""
"1547438","9.0992","0.0004","11.5635","0.0003","22.8525","0.0006","90","","90","","90","","2404.51","0.14","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0882","0.0586","","","0.1357","0.1542","","","","","","1.09","","","","has coordinates","201440","2020-10-21","18:00:00",""
"1547439","9.0972","0.0002","11.5751","0.0002","22.8531","0.0003","90","","90","","90","","2406.45","0.07","180","","180","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0653","0.0458","","","0.1047","0.1175","","","","","","0.992","","","","has coordinates","201441","2020-10-21","18:00:00",""
"1547440","9.1048","0.0003","11.5802","0.0003","22.8576","0.0006","90","","90","","90","","2410","0.12","185","","185","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0902","0.0578","","","0.1234","0.1463","","","","","","0.979","","","","has coordinates","201442","2020-10-21","18:00:00",""
"1547441","9.1064","0.0003","11.5845","0.0003","22.8569","0.0006","90","","90","","90","","2411.25","0.12","190","","190","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0879","0.0567","","","0.1242","0.1458","","","","","","0.985","","","","has coordinates","201443","2020-10-21","18:00:00",""
"1547442","9.107","0.0003","11.5902","0.0003","22.8593","0.0006","90","","90","","90","","2412.84","0.12","195","","195","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0932","0.0613","","","0.1359","0.1578","","","","","","1.042","","","","has coordinates","201444","2020-10-21","18:00:00",""
"1547443","9.1066","0.0002","11.5983","0.0002","22.8627","0.0003","90","","90","","90","","2414.78","0.07","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0673","0.0478","","","0.1107","0.1231","","","","","","1.001","","","","has coordinates","201445","2020-10-21","18:00:00",""
"1547444","9.1158","0.0002","11.6222","0.0002","22.8715","0.0003","90","","90","","90","","2423.14","0.07","220","","220","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0691","0.0459","","","0.1065","0.1211","","","","","","0.974","","","","has coordinates","201446","2020-10-21","18:00:00",""
"1547445","9.12","0.0003","11.6339","0.0003","22.8697","0.0004","90","","90","","90","","2426.5","0.11","230","","230","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0842","0.0545","","","0.1199","0.14","","","","","","0.992","","","","has coordinates","201447","2020-10-21","18:00:00",""
"1547446","9.1237","0.0002","11.6442","0.0002","22.8738","0.0004","90","","90","","90","","2430.07","0.08","240","","240","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.072","0.0482","","","0.1087","0.1244","","","","","","0.971","","","","has coordinates","201448","2020-10-21","18:00:00",""
"1547447","9.128","0.0003","11.6579","0.0003","22.8759","0.0005","90","","90","","90","","2434.3","0.11","250","","250","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0868","0.0538","","","0.118","0.1449","","","","","","0.996","","","","has coordinates","201449","2020-10-21","18:00:00",""
"1547448","9.1311","0.0003","11.6667","0.0002","22.88","0.0004","90","","90","","90","","2437.4","0.1","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0767","0.0506","","","0.114","0.1323","","","","","","0.986","","","","has coordinates","201450","2020-10-21","18:00:00",""
"1547449","9.1357","0.0003","11.6782","0.0003","22.8834","0.0006","90","","90","","90","","2441.4","0.12","270","","270","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0942","0.0586","","","0.1357","0.1591","","","","","","1.038","","","","has coordinates","201451","2020-10-21","18:00:00",""
"1547450","9.1405","0.0003","11.6923","0.0002","22.8838","0.0004","90","","90","","90","","2445.67","0.1","280","","280","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0907","0.0605","","","0.1339","0.1558","","","","","","1.04","","","","has coordinates","201452","2020-10-21","18:00:00",""
"1547451","9.1415","0.0004","11.7002","0.0004","22.8837","0.0006","90","","90","","90","","2447.58","0.15","290","","290","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.1078","0.068","","","0.1474","0.1753","","","","","","1.064","","","","has coordinates","201453","2020-10-21","18:00:00",""
"1547452","9.1445","0.0003","11.713","0.0003","22.8862","0.0005","90","","90","","90","","2451.33","0.12","300","","300","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0971","0.0635","","","0.1419","0.1646","","","","","","1.037","","","","has coordinates","201454","2020-10-21","18:00:00",""
"1547462","19.4045","0.0005","7.14236","0.00016","30.4827","0.0007","90","","90","","90","","4224.72","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O2 -","- C29 H22 N2 O2 -","- C232 H176 N16 O16 -","8","1","","Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.","5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY01518F","","","0.7107","MoKα","","0.0536","0.0437","","","0.1161","0.1227","","","","","","1.05","","","","has coordinates","201485","2020-10-21","18:00:00",""
"1547478","14.24","0.007","14.263","0.007","14.821","0.007","90","","90","","90","","3010","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H18 Fe2 N5 O3 S2 -","- C9 H18 Fe2 N5 O3 S2 -","- C72 H144 Fe16 N40 O24 S16 -","8","1","","Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y.","Redox active iron nitrosyl units in proton reduction electrocatalysis","Nature Communications","2014","5","","3684","","10.1038/ncomms4684","","","0.71073","MoKα","","0.0405","0.0295","","","0.0671","0.0729","","","","","","1.026","","","","has coordinates","201508","2020-10-21","18:00:00",""
"1547511","17.684","0.004","17.465","0.004","33.978","0.007","90","","90","","90","","10494","4","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H41 F3 N3 O3 S -","- C23 H41 F3 N3 O3 S -","- C368 H656 F48 N48 O48 S16 -","16","2","","Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul","Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications.","Organic letters","2017","19","20","5605","5608","10.1021/acs.orglett.7b02721","","","0.71073","MoKα","","0.1783","0.0911","","","0.2157","0.2621","","","","","","0.886","","","","has coordinates","202831","2020-10-21","18:00:00",""
"1547516","20.025","0.004","19.663","0.004","24.499","0.005","90","","90","","90","","9647","3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Dy Fe2 N4 Si4 -","- C44 H76 Dy Fe2 N4 Si4 -","- C352 H608 Dy8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.065","0.0376","","","0.0753","0.0947","","","","","","1.125","","","","has coordinates,has disorder","201572","2020-10-21","18:00:00",""
"1547517","19.7942","0.0016","19.8223","0.0016","24.603","0.002","90","","90","","90","","9653.4","1.4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H76 Er Fe2 N4 Si4 -","- C44 H76 Er Fe2 N4 Si4 -","- C352 H608 Er8 Fe16 N32 Si32 -","8","1","","Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael","Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes","Chem. Sci.","2017","","","","","10.1039/C7SC03380J","","","0.71073","MoKα","","0.1587","0.0742","","","0.1491","0.1847","","","","","","0.924","","","","has coordinates","201572","2020-10-21","18:00:00",""
"1547524","25.054","0.005","17.452","0.004","26.296","0.006","90","","90","","90","","11498","4","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8 -","- C22.784 H30.48 Ag4 N1.696 Na6.964 Ni2 O35.696 S8 -","- C182.272 H243.84 Ag32 N13.568 Na55.712 Ni16 O285.568 S64 -","8","1","","Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman","Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization.","The journal of physical chemistry. A","2017","121","28","5324","5331","10.1021/acs.jpca.7b04669","","","0.71073","MoKα","","0.1238","0.102","","","0.2274","0.2384","","","","","","1.147","","","","has coordinates,has disorder","201658","2020-10-21","18:00:00",""
"1547526","13.703","0.001","22.2261","0.0015","23.066","0.0016","90","","90","","90","","7025.1","0.9","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C35 H31 F12 N3 O P2 -","- C35 H31 F12 N3 O P2 -","- C280 H248 F96 N24 O8 P16 -","8","1","","Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip","Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications.","The journal of physical chemistry. A","2017","121","31","5842","5855","10.1021/acs.jpca.7b06057","","","0.71073","MoKα","","0.0892","0.0623","","","0.1546","0.1753","","","","","","1.029","","","","has coordinates,has disorder","201660","2020-10-21","18:00:00",""
"1547678","11.8722","0.0004","8.4475","0.0004","26.7964","0.001","90","","90","","90","","2687.42","0.19","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C128 H120 N8 O24 -","8","1","","Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing","Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines.","Organic letters","2017","19","21","5896","5899","10.1021/acs.orglett.7b02885","","","0.71073","MoKα","","0.1499","0.0807","","","0.1713","0.2156","","","","","","1.049","","","","has coordinates","202852","2020-10-21","18:00:00",""
"1547688","23.9163","0.0017","13.5859","0.001","26.106","0.002","90","","90","","90","","8482.5","1.1","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 F6 O13 P4 Zr2.69 -","- C25 H16 F6 O13 P4 Zr2.685 -","- C200 H128 F48 O104 P32 Zr21.48 -","8","1","","Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga","Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system","Nature Communications","2017","8","","15369","","10.1038/ncomms15369","","","0.71073","MoKα","","0.1266","0.0869","","","0.2454","0.2697","","","","","","1.042","","","","has coordinates,has disorder","202051","2020-10-21","18:00:00",""
"1547766","11.3088","0.0007","13.4942","0.0007","27.4368","0.0013","90","","90","","90","","4186.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl0 N2 O5 S -","- C24 H20 N2 O5 S -","- C192 H160 N16 O40 S8 -","8","1","","Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R.","Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids.","Organic letters","2017","19","21","5764","5767","10.1021/acs.orglett.7b02697","","x-ray","0.71073","MoKα","","0.089","0.0618","","","0.144","0.1649","","","","","","1.053","","","","has coordinates","202869","2020-10-21","18:00:00",""
"1547801","12.931","0.005","10.477","0.004","18.151","0.007","90","","90","","90","","2459.1","1.6","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I O2 Se -","- C11 H11 I O2 Se -","- C88 H88 I8 O16 Se8 -","8","1","","Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C.","Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate.","Organic letters","2017","19","21","5748","5751","10.1021/acs.orglett.7b02571","","","0.71073","MoKα","","0.0654","0.0452","","","0.136","0.1517","","","","","","1.038","","","","has coordinates","202868","2020-10-21","18:00:00",""
"1547867","36.2342","0.0007","11.182","0.0002","5.5197","0.0001","90","","90","","90","","2236.42","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ca(Mg0.631Fe0.369)B2O5","","kurchatovite","- B2 Ca Fe0.369 Mg0.631 O5 -","- B2 Ca Fe0.363333 Mg0.636667 O5 -","- B48 Ca24 Fe8.72 Mg15.28 O120 -","24","3","","Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I.","Kurchatovite from the Fuka mine, Okayama Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2017","112","","159","165","","","","","","","","","","","","","","","","","","","","","","has coordinates","202519","2020-10-21","18:00:00",""
"1547907","10.6429","0.0012","17.14","0.002","19.551","0.002","90","","90","","90","","3566.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","68869-190","gene913","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C176 H128 Cl8 F24 -","8","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0636","0.0423","","","0.0934","0.1049","","","","","","1.038","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547948","21.088","0.0004","21.0711","0.0004","29.6134","0.0005","90","","90","","90","","13158.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H78.56 As2 Fe N12 O19.28 -","- C60 H78.564 As2 Fe N12 O19.282 -","- C480 H628.512 As16 Fe8 N96 O154.256 -","8","1","","Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky","Indefinitely stable iron(IV) cage complexes formed in water by air oxidation","Nature Communications","2017","8","","14099","","10.1038/ncomms14099","","","0.71073","MoKα","","0.1337","0.0529","","","0.0961","0.123","","","","","","1.005","","","","has coordinates,has disorder","203037","2020-10-21","18:00:00",""
"1548053","8.2997","0.0003","33.2041","0.0004","12.4646","0.0011","90","","90","","90","","3435","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N -","- C26 H17 N -","- C208 H136 N8 -","8","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0368","0.0336","","","0.1049","0.1091","","","","","","0.929","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548086","13.8074","0.0007","23.2204","0.0019","26.3621","0.0015","90","","90","","90","","8452","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0636","0.051","","","0.1286","0.1372","","","","","","1.059","","","","has coordinates","203270","2020-10-21","18:00:00",""
"1548087","13.7527","0.0003","23.1023","0.0005","26.7606","0.0004","90","","90","","90","","8502.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 N10 Rb2 Si6 U2 -","- C66 H150 N10 Rb2 Si6 U2 -","- C264 H600 N40 Rb8 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0364","0.0314","","","0.0805","0.0824","","","","","","0.98","","","","has coordinates","203271","2020-10-21","18:00:00",""
"1548250","13.17","0.005","34.623","0.014","36.534","0.014","90","","90","","90","","16659","11","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50.75 H48.5 Cl0.75 N -","- C50.75 H48.5 Cl0.75 N -","- C812 H776 Cl12 N16 -","16","2","","Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo","Nitrogen-embedded buckybowl and its assembly with C60","Nature Communications","2015","6","","8215","","10.1038/ncomms9215","","","0.71075","MoKα","","0.1835","0.0917","","","0.2105","0.2952","","","","","","1.08","","","","has coordinates","203683","2020-10-21","18:00:00",""
"1548448","11.5577","0.0005","16.8408","0.0007","24.6521","0.0009","90","","90","","90","","4798.3","0.3","","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C200 H320 O40 Si8 -","8","1","","Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin","Total synthesis of atropurpuran","Nature Communications","2016","7","","12183","","10.1038/ncomms12183","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.1143","0.127","","","","","","1.037","","","","has coordinates","204215","2020-10-21","18:00:00",""
"1548531","16.9858","0.001","18.4496","0.001","18.8816","0.0011","90","","90","","90","","5917.1","0.6","100","2","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H46 Cl4 Eu N8 O Zn -","- C19 H46 Cl4 Eu N8 O Zn -","- C152 H368 Cl32 Eu8 N64 O8 Zn8 -","8","1","","Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.","First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.","Chemical science","2018","9","5","1273","1278","10.1039/c7sc02479g","","","0.71073","MoKα","","0.0646","0.0289","","","0.0526","0.0625","","","","","","1.047","","","","has coordinates,has disorder","228690","2020-10-21","18:00:00",""
"1548600","17.8352","0.0015","16.7797","0.0016","28.365","0.003","90","","90","","90","","8488.8","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H62 B2 N4 Se -","- C42 H62 B2 N4 Se -","- C336 H496 B16 N32 Se8 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0869","0.0508","","","0.1029","0.1182","","","","","","1.097","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548601","16.39","0.03","17.61","0.03","38.28","0.07","90","","90","","90","","11049","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H86 B2 N4 O3 S4 -","- C54 H86 B2 N4 O3 S4 -","- C432 H688 B16 N32 O24 S32 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.4879","0.215","","","0.4095","0.537","","","","","","1.036","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548634","13.4779","0.0014","8.1983","0.0009","31.894","0.003","90","","90","","90","","3524.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 N O S -","- C19 H27 N O S -","- C152 H216 N8 O8 S8 -","8","1","","Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao","Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.","Chemical science","2018","9","7","1846","1853","10.1039/c7sc04580h","","","0.71073","MoKα","","0.0563","0.0466","","","0.1143","0.121","","","","","","1.048","","","","has coordinates","228786","2020-10-21","18:00:00",""
"1548655","29.9305","0.0005","12.1234","0.0002","47.9429","0.0008","90","","90","","90","","17396.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H139 N4 Ni2 O4 -","- C68 H90 N4 Ni2 O4 -","- C544 H720 N32 Ni16 O32 -","8","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0893","0.0555","","","0.125","0.1382","","","","","","1.08","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548677","5.9238","0.0014","9.735","0.002","22.444","0.008","90","","90","","90","","1294.3","0.6","176","2","176","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-4-nitropyridine <i>N</i>-oxide","","- C5 H3 Cl N2 O3 -","- C5 H3 Cl N2 O3 -","- C40 H24 Cl8 N16 O24 -","8","1","TK4042","Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W.","2-Chloro-4-nitropyridine <i>N</i>-oxide","IUCrData","2018","3","1","x180016","","10.1107/S2414314618000160","","","0.71073","MoKα","","0.0718","0.0496","","","0.1204","0.1316","","","","","","1.064","","","","has coordinates,has Fobs","205185","2020-10-21","18:00:00",""
"1548685","9.8152","0.0003","10.0783","0.0002","22.512","0.0007","90","","90","","90","","2226.9","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C80 H88 F24 N16 O8 -","8","1","HB4201","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","IUCrData","2018","3","1","x180040","","10.1107/S2414314618000408","","","1.54184","CuKα","","0.0563","0.0435","","","0.1281","0.1393","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","205193","2020-10-21","18:00:00",""
"1548790","11.517","0.0006","8.7431","0.0004","22.2595","0.0013","90","","90","","90","","2241.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C104 H72 N8 O32 -","8","1","HB4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate","IUCrData","2017","2","12","x171820","","10.1107/S241431461701820X","","","0.71073","MoKα","","0.0905","0.0508","","","0.106","0.1279","","","","","","1.044","","","","has coordinates,has Fobs","205735","2020-10-21","18:00:00",""
"1548791","13.4521","0.0015","7.181","0.0007","34.204","0.003","90","","90","","90","","3304.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","","","- C19 H14 Br F N2 O -","- C19 H14 Br F N2 O -","- C152 H112 Br8 F8 N16 O8 -","8","1","HB4185","Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil","(<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol","IUCrData","2017","2","12","x171708","","10.1107/S2414314617017084","","","0.71073","MoKα","","0.1458","0.0548","","","0.0824","0.1104","","","","","","0.97","","","","has coordinates,has Fobs","205736","2020-10-21","18:00:00",""
"1548827","18.2412","0.0002","14.5616","0.0002","23.1101","0.0004","90","","90","","90","","6138.53","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Cl3 Cr N7 O2 -","- C27 H33 Cl3 Cr N7 O2 -","- C216 H264 Cl24 Cr8 N56 O16 -","8","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","0.71073","MoKα","","0.0527","0.0371","","","0.1003","0.1042","","","","","","1.097","","","","has coordinates","227963","2020-10-21","18:00:00",""
"1548847","19.704","0.0002","13.9512","0.0001","26.6779","0.0003","90","","90","","90","","7333.61","0.12","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F9 Li3 N12 O5 -","- C26 H22 F9 Li3 N12 O5 -","- C208 H176 F72 Li24 N96 O40 -","8","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","1.54184","CuKα","","0.053","0.0459","","","0.1204","0.1284","","","","","","1.026","","","","has coordinates,has disorder","206065","2020-10-21","18:00:00",""
"1548870","15.6878","0.0002","12.3457","0.0001","36.8495","0.0005","90","","90","","90","","7136.9","0.14","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H59 B Cl N5 O -","- C33 H59 B Cl N5 O -","- C264 H472 B8 Cl8 N40 O8 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0765","0.065","","","0.1842","0.1974","","","","","","1.029","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548900","9.312","0.002","16.956","0.004","29.498","0.007","90","","90","","90","","4657.6","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 N4 O6 S2 -","- C16 H24 Co F6 N4 O6 S2 -","- C128 H192 Co8 F48 N32 O48 S16 -","8","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.7107","MoKα","","0.0251","0.0227","","","0.0556","0.0568","","","","","","1.091","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548997","16.8152","0.0003","15.0512","0.0003","17.5637","0.0004","90","","90","","90","","4445.18","0.16","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C200 H176 F24 N8 O24 S8 -","8","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0447","","","","0.1214","","","","","","1.135","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1549032","7.6447","0.0002","13.1287","0.0004","29.1836","0.0008","90","","90","","90","","2929.01","0.14","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C128 H128 N32 O8 -","8","1","","Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei","Fluorescence of Hydroxyphenyl-Substituted ""Click"" Triazoles.","The journal of physical chemistry. A","2018","122","11","2956","2973","10.1021/acs.jpca.8b00577","","","0.71073","MoKα","","0.0602","0.0421","","","0.1165","0.1349","","","","","","1.085","","","","has coordinates","227639","2020-10-21","18:00:00",""
"1549112","14.0519","0.0002","14.4485","0.0003","24.3473","0.0005","90","","90","","90","","4943.2","0.16","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0429","0.029","","","0.0534","0.0593","","","","","","1.118","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549138","16.9466","0.0007","20.6986","0.0009","23.0289","0.001","90","","90","","90","","8077.9","0.6","151.25","","151.25","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C384 H416 O8 P16 -","8","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0822","0.0616","","","0.1624","0.1791","","","","","","1.025","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549185","18.6221","0.0007","8.0211","0.0003","20.4046","0.0007","90","","90","","90","","3047.83","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 I3 N2 Pb -","- C7 H15 I3 N2 Pb -","- C56 H120 I24 N16 Pb8 -","8","1","","Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming","Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.","Chemical communications (Cambridge, England)","2018","54","34","4321","4324","10.1039/c8cc00786a","","","0.71073","MoKα","","0.0547","0.0275","","","0.0424","0.0472","","","","","","1.019","","","","has coordinates","228584","2020-10-21","18:00:00",""
"1549197","13.9091","0.0005","26.4208","0.0008","28.6342","0.001","90","","90","","90","","10522.8","0.6","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H74 N2 O8 Zn -","- C57 H74 N2 O8 Zn -","- C456 H592 N16 O64 Zn8 -","8","1","","Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold","Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5801","5811","10.1039/c8dt00757h","","","0.71073","MoKα","","0.0648","0.0437","","","0.1075","0.1146","","","","","","0.978","","","","has coordinates","229624","2020-10-21","18:00:00",""
"1549228","19.707","0.005","17.611","0.004","20.439","0.005","90","","90","","90","","7094","3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B N2 O5 P -","- C34 H50 B N2 O5 P -","- C272 H400 B8 N16 O40 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.067","0.0535","","","0.2029","0.2269","","","","","","0.96","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549253","14.6519","0.0006","15.5746","0.0006","27.2406","0.001","90","","90","","90","","6216.2","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","MK402","","","- C26 H49 F3 Ir N2 O2 P2 -","- C26 H49 F3 Ir N2 O2 P2 -","- C208 H392 F24 Ir8 N16 O16 P16 -","8","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0278","0.0193","","","0.0362","0.0386","","","","","","1.031","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549277","20.8497","0.0008","16.0333","0.0006","23.8954","0.0009","90","","90","","90","","7988","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 B Cl4 F15 P -","- C38 H37 B Cl4 F15 P -","- C304 H296 B8 Cl32 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0499","0.0405","","","0.0993","0.1073","","","","","","1.047","","","","has coordinates,has disorder","228833","2020-10-21","18:00:00",""
"1549287","21.493","0.0017","22.3378","0.0019","38.715","0.003","90","","90","","90","","18587","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C93 H100 B2 Co F27 N8 O4 S -","- C93 H100 B2 Co F27 N8 O4 S -","- C744 H800 B16 Co8 F216 N64 O32 S8 -","8","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1568","0.1073","","","0.2609","0.2964","","","","","","1.023","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549314","19.142","0.004","24.665","0.005","26.029","0.006","90","","90","","90","","12289","5","150","2","149.96","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,9-diphenyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C58 H46 B F24 Na O9 -","- C58 H46 B F24 Na O9 -","- C464 H368 B8 F192 Na8 O72 -","8","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0734","0.0451","","","0.0953","0.1113","","","","","","1.017","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549348","18.2763","0.0006","7.5909","0.0002","20.0571","0.0006","90","","90","","90","","2782.59","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C104 H120 N40 O16 S8 -","8","1","IS4027","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","IUCrData","2018","3","4","x180600","","10.1107/S2414314618006004","","","0.71073","MoKα","","0.086","0.0417","","","0.0919","0.1104","","","","","","1.02","","","","has coordinates,has Fobs","207579","2020-10-21","18:00:00",""
"1549378","13.5058","0.0003","13.9638","0.0003","21.6147","0.0008","90","","90","","90","","4076.4","0.2","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl2 N2 Pd -","- C20 H28 Cl2 N2 Pd -","- C160 H224 Cl16 N16 Pd8 -","8","1","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0407","0.0286","","","0.0584","0.0626","","","","","","1.03","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549431","18.5845","0.0004","14.7047","0.0002","19.673","0.0003","90","","90","","90","","5376.23","0.16","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 B11 Br6 Si -","- C14 H19 B11 Br6 Si -","- C112 H152 B88 Br48 Si8 -","8","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0519","0.0368","","","0.0808","0.0881","","","","","","1.084","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549553","10.0717","0.0014","9.612","0.003","21.809","0.004","90","","90","","90","","2111.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H13 Cu O8 P -","- C4 H13 Cu O8 P -","- C32 H104 Cu8 O64 P8 -","8","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid'","Zeitschrift für anorganische und allgemeine Chemie","2018","644","4","205","","10.1002/zaac.201700453","","","0.71073","MoKα","","0.0565","0.0341","","0.0726","0.0702","","","","1.098","1.279","1.279","","","","","has coordinates","208344","2020-10-21","18:00:00",""
"1549554","8.1247","0.0015","9.19","0.0009","21.023","0.002","90","","90","","90","","1569.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H9 Cu O7 P -","- C3 H9 Cu O7 P -","- C24 H72 Cu8 O56 P8 -","8","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid'","Zeitschrift für anorganische und allgemeine Chemie","2018","644","4","205","","10.1002/zaac.201700453","","","0.71073","MoKα","","0.074","0.0286","","0.0569","0.0502","","","","0.6","0.751","0.751","","","","","has coordinates","208345","2020-10-21","18:00:00",""
"1549606","15.634","0.003","17.716","0.004","21.661","0.004","90","","90","","90","","5999","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0)","","- C28 H30 Mo N2 O4 P2 -","- C28 H30 Mo N2 O4 P2 -","- C224 H240 Mo8 N16 O32 P16 -","8","1","RZ4024","Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent","IUCrData","2018","3","6","x180846","","10.1107/S2414314618008465","","","0.71073","MoKα","","0.0304","0.0216","","","0.0488","0.0503","","","","","","0.917","","","","has coordinates,has Fobs","208655","2020-10-21","18:00:00",""
"1549631","11.3085","0.0005","24.2407","0.0012","37.5101","0.0018","90","","90","","90","","10282.5","0.8","100","2","99.97","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H81 B Fe N3 P3 Si2 -","- C47 H81 B Fe N3 P3 Si2 -","- C376 H648 B8 Fe8 N24 P24 Si16 -","8","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0689","0.0567","","","0.1215","0.1258","","","","","","1.19","","","","has coordinates","228622","2020-10-21","18:00:00",""
"1549700","30.1086","0.0003","31.9945","0.0004","46.8128","0.0007","90","","90","","90","","45095.2","1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","","- C252 H300 N20 -","- C252 H300 N20 -","- C2016 H2400 N160 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1283","0.0793","","","0.2166","0.2596","","","","","","1.013","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549704","8.0941","0.0003","43.971","0.002","8.3622","0.0005","90","","90","","90","","2976.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H26 N O4 Sb -","- C14 H26 N O4 Sb -","- C112 H208 N8 O32 Sb8 -","8","1","","Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.","Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution.","Chemical communications (Cambridge, England)","2018","54","64","8849","8852","10.1039/c8cc05187a","","","0.71073","MoKα","","0.0413","0.0394","","","0.1081","0.1093","","","","","","1.134","","","","has coordinates,has disorder","228226","2020-10-21","18:00:00",""
"1549714","9.265","0.0002","10.3523","0.0002","36.0698","0.0008","90","","90","","90","","3459.6","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H15 N O2 S -","- C22 H15 N O2 S -","- C176 H120 N8 O16 S8 -","8","1","SJ4187","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2018","3","7","x181019","","10.1107/S2414314618010192","","","0.71073","MoKα","","0.0799","0.0463","","","0.0907","0.1046","","","","","","1.061","","","","has coordinates,has Fobs","209168","2020-10-21","18:00:00",""
"1549775","18.7793","0.0002","7.4521","0.0001","50.3987","0.0006","90","","90","","90","","7053.06","0.15","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","compound 8","","- C25 H15 N S2 -","- C25 H15 N S2 -","- C400 H240 N16 S32 -","16","2","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0419","0.041","","","0.0917","0.0921","","","","","","1.278","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549795","15.631","0.012","11.614","0.008","16.976","0.011","90","","90","","90","","3082","4","150","","149.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-2,3,3-trimethylindol-1-ium iodide","","- C15 H22 I N -","- C15 H22 I N -","- C120 H176 I8 N8 -","8","1","HB4247","da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís","1-Butyl-2,3,3-trimethylindol-1-ium iodide","IUCrData","2018","3","8","x181130","","10.1107/S2414314618011306","","","0.71073","MoKα","","0.0273","0.019","","","0.0435","0.0472","","","","","","1.03","","","","has coordinates,has Fobs","209719","2020-10-21","18:00:00",""
"1549799","18.9606","0.0003","18.7387","0.0003","34.1557","0.0006","90","","90","","90","","12135.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Cl6 Fe3 N11 -","- C64 H53 Cl6 Fe3 N11 -","- C512 H424 Cl48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0394","0.0328","","","0.0726","0.0758","","","","","","1.069","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549802","19.0269","0.0004","18.8487","0.0004","35.2474","0.0006","90","","90","","90","","12640.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Br6 Fe3 N11 -","- C64 H53 Br6 Fe3 N11 -","- C512 H424 Br48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0703","0.076","","","","","","1.022","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549858","16.13031","0.00015","14.54437","0.00012","17.33703","0.00017","90","","90","","90","","4067.36","0.06","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N O3 -","- C23 H26 Ir N O3 -","- C184 H208 Ir8 N8 O24 -","8","1","","Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida","Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines","Catalysis Science & Technology","2018","8","24","6316","","10.1039/C8CY01236A","","x-ray","1.54184","CuKα","","0.0191","0.0172","","","0.0437","0.045","","","","","","1.042","","","","has coordinates","227954","2020-10-21","18:00:00",""
"1549876","9.1082","0.0005","10.2539","0.0006","25.5319","0.0015","90","","90","","90","","2384.5","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C104 H112 Cl8 N8 O24 -","8","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0822","0.0668","","","0.1763","0.2002","","","","","","1.017","","","","has coordinates","230960","2020-10-21","18:00:00",""
"1550042","21.712","0.002","13.037","0.002","54.215","0.014","90","","90","","90","","15346","5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H80 Cl12 N8 Zn2 -","- C62 H76 Cl8 N8 Zn2 -","- C496 H608 Cl64 N64 Zn16 -","8","1","","Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.","Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.","Chemical communications (Cambridge, England)","2018","54","89","12586","12589","10.1039/c8cc07661h","","x-ray","0.71073","MoKα","","0.1887","0.0848","","","0.2178","0.2526","","","","","","0.981","","","","has coordinates","228271","2020-10-21","18:00:00",""
"1550095","8.23403","0.0001","10.88902","0.00013","34.457","0.0005","90","","90","","90","","3089.43","0.07","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C176 H112 N16 O8 -","8","1","","Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C.","Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP).","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2019","18","1","140","147","10.1039/c8pp00279g","","x-ray","1.54184","CuKα","","0.0411","0.0338","","","0.0851","0.0905","","","","","","1.045","","","","has coordinates","225317","2020-10-21","18:00:00",""
"1550189","16.309","0.0005","11.4239","0.0004","24.8441","0.0008","90","","90","","90","","4628.8","0.3","100","","100.02","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B F4 Fe N2 Ni O S Se -","- C20 H27 B F4 Fe N2 Ni O S Se -","- C160 H216 B8 F32 Fe8 N16 Ni8 O8 S8 Se8 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.056","0.055","","","0.1969","0.1976","","","","","","1.143","","","","has coordinates","211799","2020-10-21","18:00:00",""
"1550190","16.2504","0.0006","11.3127","0.0004","24.8851","0.0008","90","","90","","90","","4574.8","0.3","100","2","99.98","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2 -","- C20 H27 B0.783 Cl0.217 F3.132 Fe N2 Ni O S2 -","- C160 H216 B6.264 Cl1.736 F25.056 Fe8 N16 Ni8 O8 S16 -","8","1","","Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y.","Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites","Chemical Science","2019","","","","","10.1039/C8SC04436H","","x-ray","1.54178","CuKα","","0.0676","0.0626","","","0.1586","0.1619","","","","","","1.18","","","","has coordinates,has disorder","211799","2020-10-21","18:00:00",""
"1550205","8.9115","0.0002","16.2345","0.0003","32.4328","0.0007","90","","90","","90","","4692.17","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H38 N4 O2 -","- C22 H38 N4 O2 -","- C176 H304 N32 O16 -","8","1","","Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita","Investigating the effect of supramolecular gel phase crystallization on gel nucleation.","Soft matter","2018","14","46","9489","9497","10.1039/c8sm01916a","","x-ray","0.71073","MoKα","","0.0934","0.0637","","","0.1549","0.1738","","","","","","1.029","","","","has coordinates,has disorder","230976","2020-10-21","18:00:00",""
"1550247","10.1454","0.0003","15.0815","0.0003","15.2995","0.0003","90","","90","","90","","2340.94","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Hg2 I4 N4 S2 -","- C10 H16 Hg2 I4 N4 S2 -","- C40 H64 Hg8 I16 N16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0262","0.0212","","","0.0445","0.0467","","","","","","1.061","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550378","37.682","0.004","6.9971","0.0004","15.2009","0.0009","90","","90","","90","","4007.9","0.5","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C216 H184 N8 O16 -","8","1","","Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming","Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC04681F","","","0.71073","MoKα","","0.0937","0.0717","","","0.1322","0.144","","","","","","1.137","","","","has coordinates","212665","2020-10-21","18:00:00",""
"1550441","13.4725","0.0002","9.8551","0.0001","32.7259","0.0004","90","","90","","90","","4345.11","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 I N2 O -","- C7 H15 I N2 O -","- C112 H240 I16 N32 O16 -","16","2","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0529","0.0492","","0.1128","0.1105","0.1128","","","","","","1.0124","","","","has coordinates,has disorder","213007","2020-10-21","18:00:00",""
"1550473","17.2467","0.0017","13.0572","0.0009","18.6141","0.0016","90","","90","","90","","4191.8","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H68 Al2 N2 -","- C46 H68 Al2 N2 -","- C184 H272 Al8 N8 -","4","0.5","","Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias","Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism","Chemical Science","2019","","","","","10.1039/C8SC05175E","","","0.71073","MoKα","","0.1067","0.0519","","","0.0955","0.1138","","","","","","1.006","","","","has coordinates","213055","2020-10-21","18:00:00",""
"1550496","12.7694","0.0003","7.3282","0.0003","38.4557","0.001","90","","90","","90","","3598.56","0.19","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Au Cl N O P -","- C19 H16 Au Cl N O P -","- C152 H128 Au8 Cl8 N8 O8 P8 -","8","1","","Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng","Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes","Chemical Science","2019","","","","","10.1039/C8SC05281F","","x-ray","1.54184","CuKα","","0.0589","0.0491","","","0.1287","0.1388","","","","","","1.041","","","","has coordinates","213240","2020-10-21","18:00:00",""
"1550538","10.9356","0.0003","15.8786","0.0004","33.0214","0.0012","90","","90","","90","","5733.9","0.3","292","1","292","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan","Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation","Chemical Science","2019","","","","","10.1039/C8SC04520H","","x-ray","1.54184","CuKα","","0.0637","0.044","","","0.1183","0.1324","","","","","","1.039","","","","has coordinates","213410","2020-10-21","18:00:00",""
"1550545","15.3389","0.0006","14.0741","0.0005","23.7894","0.001","90","","90","","90","","5135.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H70 Mg2 N4 -","- C60 H70 Mg2 N4 -","- C240 H280 Mg8 N16 -","4","0.5","","Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon","Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis","Chemical Science","2019","","","","","10.1039/C9SC00200F","","","0.71073","MoKα","","0.1308","0.0712","","","0.184","0.21","","","","","","1.065","","","","has coordinates","213486","2020-10-21","18:00:00",""
"1550563","11.3883","0.0002","18.8747","0.0004","31.9081","0.0007","90","","90","","90","","6858.7","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H59 Cu3.12 Li0.88 N3 -","- C33 H59 Cu3.124 Li0.876 N3 -","- C264 H472 Cu24.992 Li7.008 N24 -","8","1","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.058","0.0491","","","0.1036","0.1063","","","","","","1.28","","","","has coordinates,has disorder","213502","2020-10-21","18:00:00",""
"1550565","8.6647","0.0002","16.1964","0.0004","21.7364","0.0006","90","","90","","90","","3050.42","0.13","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Cu2 Li2 N2 -","- C30 H46 Cu2 Li2 N2 -","- C120 H184 Cu8 Li8 N8 -","4","0.5","","Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu","A new route to the efficient metalation of unfunctionalized aromatics","Chemical Science","2019","","","","","10.1039/C8SC04325F","","","1.54184","CuKα","","0.0451","0.0326","","","0.0754","0.0806","","","","","","1.062","","","","has coordinates","213502","2020-10-21","18:00:00",""
"1550587","7.9243","0.0005","23.7112","0.0009","24.927","0.0015","90","","90","","90","","4683.7","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","","- C27 H17 Cl F N3 O2 S -","- C27 H17 Cl F N3 O2 S -","- C216 H136 Cl8 F8 N24 O16 S8 -","8","1","HB4283","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M.","3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one","IUCrData","2019","4","2","x190170","","10.1107/S2414314619001706","","","0.71073","MoKα","","0.1193","0.0581","","","0.1491","0.1841","","","","","","1.044","","","","has coordinates,has Fobs","213622","2020-10-21","18:00:00",""
"1550633","16.151","0.015","7.314","0.007","19.036","0.019","90","","90","","90","","2249","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 O2 S -","- C12 H12 O2 S -","- C96 H96 O16 S8 -","8","1","","Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing","Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00062C","","","0.71073","MoKα","","0.1591","0.0847","","","0.2319","0.3243","","","","","","1.048","","","","has coordinates","213797","2020-10-21","18:00:00",""
"1550676","8.2322","0.0009","16.009","0.0015","30.617","0.003","90","","90","","90","","4035","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H26 F3 N O3 S -","- C18 H26 F3 N O3 S -","- C144 H208 F24 N8 O24 S8 -","8","1","","Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor","Chemical Science","2019","","","","","10.1039/C8SC05477K","","x-ray","0.71073","MoKα","","0.0742","0.057","","","0.1583","0.1716","","","","","","1.095","","","","has coordinates","213904","2020-10-21","18:00:00",""
"1550696","13.4772","0.0013","20.032","0.002","20.904","0.002","90","","90","","90","","5643.6","1","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 I N3 O S2 -","- C25 H24 I N3 O S2 -","- C200 H192 I8 N24 O8 S16 -","8","1","","Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan","Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe","Chemical Science","2019","","","","","10.1039/C9SC00180H","","","0.71073","MoKα","","0.0843","0.0535","","","0.1346","0.1523","","","","","","1.04","","","","has coordinates","213943","2020-10-21","18:00:00",""
"1550770","7.0412","0.0007","22.373","0.002","29.798","0.003","90","","90","","90","","4694.2","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C240 H144 Br16 N16 -","8","1","","Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Origin of the isotropic motion in crystalline molecular rotors with carbazole stators","Chemical Science","2019","","","","","10.1039/C8SC04398A","","","0.71073","MoKα","","0.1431","0.0761","","","0.1015","0.12","","","","","","1.046","","","","has coordinates","214234","2020-10-21","18:00:00",""
"1550868","14.9529","0.0014","8.173","0.0008","24.26","0.002","90","","90","","90","","2964.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br2 N -","- C18 H11 Br2 N -","- C144 H88 Br16 N8 -","8","1","","Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei","Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow","Chemical Science","2019","","","","","10.1039/C8SC05198D","","","0.71073","MoKα","","0.0434","0.0386","","","0.0834","0.0853","","","","","","1.214","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1550895","22.26","","22.2598","0.0005","25.7392","0.0005","90","","90","","90","","12753.9","0.4","185","2","185","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H63 Cl N2 O12 Pd -","- C55 H63 Cl N2 O12 Pd -","- C440 H504 Cl8 N16 O96 Pd8 -","8","1","","Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao","Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts","Polymer Chemistry","2019","10","20","2596","","10.1039/C9PY00433E","","","0.71073","MoKα","","0.1528","0.0641","","","0.1572","0.1894","","","","","","0.976","","","","has coordinates,has disorder","225343","2020-10-21","18:00:00",""
"1550961","10.5086","0.0004","12.016","0.0004","27.2839","0.0011","90","","90","","90","","3445.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Cuadros, Sara; Horwitz, Matthew; Schweitzer-Chaput, Bertrand; Melchiorre, Paolo","A visible-light mediated three-component radical process using dithiocarbamate anion catalysis","Chemical Science","2019","","","","","10.1039/C9SC00833K","","","0.71073","MoKα","","0.0564","0.0422","","","0.1126","0.1208","","","","","","1.078","","","","has coordinates,has disorder","214865","2020-10-21","18:00:00",""
"1550998","10.1337","0.001","12.5991","0.0013","30.3","0.003","90","","90","","90","","3868.6","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Br2 S2 -","- C20 H24 Br2 S2 -","- C160 H192 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0251","0.0199","","","0.0433","0.0446","","","","","","1.049","","","","has coordinates","215021","2020-10-21","18:00:00",""
"1550999","12.542","0.0006","9.1015","0.0005","28.8047","0.0015","90","","90","","90","","3288.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br2 S2 -","- C15.9992 H19.9986 Br2 S2 -","- C127.994 H159.989 Br16 S16 -","8","1","","Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna","β-Strand Inspired Bifacial π-Conjugated Polymers","Chemical Science","2019","","","","","10.1039/C9SC01724K","","","0.71073","MoKα","","0.0184","0.0173","","","0.0405","0.0409","","","","","","1.062","","","","has coordinates,has disorder","215021","2020-10-21","18:00:00",""
"1551020","10.8313","0.0004","7.618","0.0003","24.1463","0.0008","90","","90","","90","","1992.38","0.13","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","HB4297","Lough, Alan J.; Hill, Jarvis; Tam, William","1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one","IUCrData","2019","4","5","x190609","","10.1107/S2414314619006096","","","1.54178","CuKα","","0.0346","0.0341","","","0.0873","0.0877","","","","","","1.053","","","","has coordinates,has Fobs","215046","2020-10-21","18:00:00",""
"1551151","21.3924","0.0002","18.277","0.0001","22.9162","0.0003","90","","90","","90","","8959.98","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H71 B Mg N4 O2 -","- C44 H71 B Mg N4 O2 -","- C352 H568 B8 Mg8 N32 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.0765","0.0653","","","0.1585","0.1655","","","","","","1.067","","","","has coordinates","215509","2020-10-21","18:00:00",""
"1551154","20.5267","0.0001","19.7717","0.0001","21.7073","0.0001","90","","90","","90","","8809.86","0.07","150.01","0.1","150.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H68 B Mg N3 O2 -","- C46 H68 B Mg N3 O2 -","- C368 H544 B8 Mg8 N24 O16 -","8","1","","Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F.","Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process","Chemical Science","2019","","","","","10.1039/C9SC02087J","","x-ray","1.54184","CuKα","","0.048","0.0448","","","0.1168","0.1198","","","","","","1.032","","","","has coordinates,has disorder","215509","2020-10-21","18:00:00",""
"1551491","9.8337","0.0002","11.6263","0.0003","35.5613","0.0008","90","","90","","90","","4065.71","0.16","100","2","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C30 H20 -","- C30 H20 -","- C240 H160 -","8","1","","Paul J. Evans; Evan R. Darzi; Ramesh Jasti","Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene","Nature Chemistry","2014","6","","404","408","10.1038/nchem.1888","","","1.54178","CuKα","","0.0488","0.0486","","","0.1279","0.1281","","","","","","1.102","","","","has coordinates","216063","2020-10-21","18:00:00",""
"1551494","16.5065","0.001","7.0663","0.0004","21.0475","0.0015","90","","90","","90","","2455","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","1","","Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier","Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles","Chemical Science","2019","","","","","10.1039/C9SC01954E","","","0.71073","MoKα","","0.0806","0.0552","","","0.1187","0.1315","","","","","","1.094","","","","has coordinates","216086","2020-10-21","18:00:00",""
"1551599","23.6829","0.0013","7.5558","0.0004","24.1777","0.0013","90","","90","","90","","4326.4","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br N4 O -","- C10 H9 Br N4 O -","- C160 H144 Br16 N64 O16 -","16","2","","HWANG, Long-Chih; CHUANG, Chung-Lin; SU, Chun-Wei; LEE, Gene-Hsiang","Packing of Two Independent Molecules: 3-Amino-2-benzyl-6-bromo-1,2,4-triazin-5(2<i>H</i>)-one","X-ray Structure Analysis Online","2016","32","0","33","","10.2116/xraystruct.32.33","","","0.71073","MoKα","","0.1003","0.0527","","","0.1161","0.1348","","","","","","1.06","","","","has coordinates","216209","2020-10-21","18:00:00",""
"1551644","24.679","0.004","9.873","0.004","9.253","0.005","90","","90","","90","","2254.5","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl F N O2 -","- C10 H13 Cl F N O2 -","- C80 H104 Cl8 F8 N8 O16 -","8","1","","Guillon, Jean; Pinaud, Noël; Marchivie, Mathieu; Ronga, Luisa; Benazzouz, Abdelhamid; Moreau, Stéphane","Crystal Structure of a Fluoro Analogue of 3,4-(Methylenedioxy)amphetamine","X-ray Structure Analysis Online","2015","31","","23","","10.2116/xraystruct.31.23","","","1.5418","CuKα","","0.0993","0.0601","","","0.1479","0.173","","","","","","1.062","","","","has coordinates","291310","2024-04-22","11:56:54",""
"1551711","36.993","0.002","10.1567","0.0007","8.3441","0.0006","90","","90","","90","","3135.1","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","RANGANATHA, V. Lakshmi; VINUTHA, N.; KHANUM, Shaukath A.; ANTHAL, Sumati; REVANNASIDDAIAH, D.; Rajnikant,; GUPTA, Vivek K.","Crystal Structure of (4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester","X-ray Structure Analysis Online","2012","28","0","27","","10.2116/xraystruct.28.27","","","0.71073","MoKα","","0.0878","0.069","","","0.1299","0.1406","","","","","","1.075","","","","has coordinates","216323","2020-10-21","18:00:00",""
"1551755","5.564","0.0011","14.832","0.003","26.399","0.005","90","","90","","90","","2178.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cl3 N O -","- C9 H8 Cl3 N O -","- C72 H64 Cl24 N8 O8 -","8","1","","YANG, Hai-Yu; LI, Yu-Feng; LIU, Shan; FENG, Mei-Li; ZHU, Hong-Jun","Crystal Structure of 3-Chloro-4-(3,3-dichloroallyloxy)benzenamine","X-ray Structure Analysis Online","2010","26","","51","","10.2116/xraystruct.26.51","","","0.71073","MoKα","","0.0947","0.0509","","","0.1086","0.1254","","","","","","1.004","","","","has coordinates","216367","2020-10-21","18:00:00",""
"1551811","20.375","0.003","41.499","0.003","8.139","0.003","90","","90","","90","","6882","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C336 H304 N16 O80 -","16","2","","KAMIGAUCHI, Miyoko; NODA, Yuko; IWASA, Kinuko; IN, Yasuko; ISHIDA, Toshimasa","Addendum: Crystal Structure of (dl)-Corynoloxine [X-ray Structure Analysis Online, Vol. 25, p. 1 (2009)]","X-ray Structure Analysis Online","2009","25","","45","","10.2116/xraystruct.25.45","","","1.54178","CuKα","","0.1548","0.0695","","","0.1712","0.2034","","","","","","1.113","","","","has coordinates","216424","2020-10-21","18:00:00",""
"1551812","13.435","0.003","23.358","0.003","10.139","0.003","90","","90","","90","","3181.8","1.2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","1","","KAMIGAUCHI, Miyoko; IN, Yasuko; ISHIDA, Toshimasa","X-ray Structure Analysis of (dl)-DeN-Corynoline, Derived from Hexahydorobenzo[c]phenanthridine Type Alkaloid Corynoline","X-ray Structure Analysis Online","2009","25","","27","","10.2116/xraystruct.25.27","","","1.54178","CuKα","","0.0649","0.05","","","0.1388","0.1462","","","","","","1.191","","","","has coordinates","216425","2020-10-21","18:00:00",""
"1551864","11.8873","0.0012","19.315","0.002","21.733","0.002","90","","90","","90","","4990","0.9","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","HCTCPR12","","","- C19 H30 Cl N5 O6 S2 -","- C19 H30 Cl N5 O6 S2 -","- C152 H240 Cl8 N40 O48 S16 -","8","1","","Bolla, Geetha; Nangia, Ashwini","Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides","IUCrJ","2019","6","4","","","10.1107/S2052252519005037","","","0.71073","MoKα","","0.0405","0.0359","","","0.0971","0.1016","","","","","","1.031","","","","has coordinates","216498","2020-10-21","18:00:00",""
"1551902","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Tobias Ritter","Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation","Nature Chemistry","2009","1","","302","309","10.1038/nchem.246","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","216566","2020-10-21","18:00:00",""
"1551911","15.215","0.002","11.5219","0.0018","29.439","0.005","90","","90","","90","","5160.8","1.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 F3 Ir N O -","- C28 H33 F3 Ir N O -","- C224 H264 F24 Ir8 N8 O8 -","8","1","","Kwangmin Shin; Yoonsu Park; Mu-Hyun Baik; Sukbok Chang","Iridium-catalysed arylation of C-H bonds enabled by oxidatively induced reductive elimination","Nature Chemistry","2018","10","","218","224","10.1038/nchem.2900","","","0.71073","MoKα","","0.0334","0.0224","","","0.0452","0.0492","","","","","","1.116","","","","has coordinates","216576","2020-10-21","18:00:00",""
"1551920","20.214","0.006","9.634","0.004","23.524","0.006","90","","90","","90","","4581","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 Be Cl2 N -","- C23 H35 Be Cl2 N -","- C184 H280 Be8 Cl16 N8 -","8","1","","Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster","Neutral zero-valent s-block complexes with strong multiple bonding","Nature Chemistry","2016","8","","890","894","10.1038/nchem.2542","","","0.71073","MoKα","","0.0424","0.0342","","","0.0885","0.0944","","","","","","1.044","","","","has coordinates","216649","2020-10-21","18:00:00",""
"1551941","12.2648","0.0005","14.7116","0.0006","16.75","0.0008","90","","90","","90","","3022.3","0.2","260","2","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0542","0.032","","","0.0648","0.0719","","","","","","1.079","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551945","12.3342","0.0006","14.4997","0.0007","15.8603","0.0008","90","","90","","90","","2836.5","0.2","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0537","0.0368","","","0.0692","0.0742","","","","","","1.146","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551946","12.3352","0.0006","14.622","0.0007","16.1726","0.0008","90","","90","","90","","2917","0.2","212","","212","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0762","0.0387","","","0.0695","0.0781","","","","","","1.113","","","","has coordinates,has disorder","216715","2020-10-21","18:00:00",""
"1551949","12.367","0.003","14.371","0.004","16.929","0.004","90","","90","","90","","3008.7","1.3","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.1207","0.0882","","","0.2086","0.2334","","","","","","1.096","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551951","12.2405","0.0007","13.9694","0.0009","16.0892","0.0009","90","","90","","90","","2751.1","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0591","0.0482","","","0.1002","0.1054","","","","","","1.099","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551952","12.2235","0.0006","14.0648","0.0007","16.3631","0.0007","90","","90","","90","","2813.2","0.2","178","","178","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ag2 Fe N6 -","- C30 H22 Ag2 Fe N6 -","- C120 H88 Ag8 Fe4 N24 -","4","0.5","","Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang","Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks","Chemical Science","2019","","","","","10.1039/C9SC02274K","","","0.71073","MoKα","","0.0698","0.0515","","","0.1179","0.1281","","","","","","1.075","","","","has coordinates","216715","2020-10-21","18:00:00",""
"1551993","9.8724","0.0008","20.8516","0.0017","27.507","0.002","90","","90","","90","","5662.5","0.8","100","","100","","","","","","","","CH2Cl2/Pentane","5","P b c a","-P 2ac 2ab","61","","","","- C33 H25 Au Cl3 P -","- C33 H25 Au Cl3 P -","- C264 H200 Au8 Cl24 P8 -","8","1","","Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner","Coordination chemistry at carbon","Nature Chemistry","2009","1","","295","301","10.1038/nchem.248","","","0.71073","MoKα","","0.0324","0.0208","","","0.0438","0.0487","","","","","","1.108","","","","has coordinates","216801","2020-10-21","18:00:00",""
"1552119","14.265","0.008","8.06","0.004","17.564","0.009","90","","90","","90","","2019.4","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-nitro-1,10-phenanthroline","","- C12 H8 N4 O2 -","- C12 H8 N4 O2 -","- C96 H64 N32 O16 -","8","1","HB4300","Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G.","5-Amino-6-nitro-1,10-phenanthroline","IUCrData","2019","4","7","x191016","","10.1107/S2414314619010162","","","0.71073","MoKα","","0.1332","0.0579","","","","0.1758","","","","","","1.027","","","","has coordinates,has Fobs","217194","2020-10-21","18:00:00",""
"1552293","10.5366","0.0011","7.4255","0.0007","31.091","0.003","90","","90","","90","","2432.5","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0917","0.0565","","","0.1605","0.18","","","","","","1.087","","","","has coordinates","218067","2020-10-21","18:00:00",""
"1552346","13.1751","0.0007","14.2709","0.0008","28.3358","0.0016","90","","90","","90","","5327.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","BS-A-122","","","- C20 H44 Cl3 N P2 W -","- C20 H44 Cl3 N P2 W -","- C160 H352 Cl24 N8 P16 W8 -","8","1","","Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven","Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction","Chemical Science","2019","","","","","10.1039/C9SC03779A","","","0.71073","MoKα","","0.0451","0.0291","","","0.0473","0.0507","","","","","","1.081","","","","has coordinates","218836","2020-10-21","18:00:00",""
"1552351","35.8282","0.0017","18.7973","0.0008","17.4964","0.0007","90","","90","","90","","11783.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H70 B2 N6 Ni -","- C69 H70 B2 N6 Ni -","- C552 H560 B16 N48 Ni8 -","8","1","","Sethuraman, Muthuramalingam; Anandababu, Karunanithi; Velusamy, Marappan; Ramasamy, Mayilmurugan","One Step Phenol Synthesis from Benzene Catalysed by Nickel(II) Complexes","Catalysis Science & Technology","2019","","","","","10.1039/C9CY01471C","","","0.71073","MoKα","","0.133","0.0762","","","0.1496","0.1768","","","","","","1.055","","","","has coordinates","218878","2020-10-21","18:00:00",""
"1552365","33.5643","0.0016","21.7048","0.0009","6.9605","0.0003","90","","90","","90","","5070.8","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H36 N4 O8 Pd -","- C52 H36 N4 O8 Pd -","- C208 H144 N16 O32 Pd4 -","4","0.5","","Li, Shuai; Mei, Hong-Min; Yao, Shi-Lin; Chen, Zhiyao; Lu, Yu-Lin; Zhang, Li; Su, Cheng-Yong","Well-Distributed Pt-Nanoparticles within Confined Coordination Interspaces of Self-Sensitized Porphyrin Metal-Organic Frameworks: Synergistic Effect Boosting Highly Efficient Photocatalytic Hydrogen Evolution Reaction","Chemical Science","2019","","","","","10.1039/C9SC01866B","","x-ray","1.54184","CuKα","","0.0932","0.072","","","0.1524","0.1663","","","","","","1.081","","","","has coordinates","218983","2020-10-21","18:00:00",""
"1552391","16.1147","0.00019","12.70487","0.00014","22.6264","0.0002","90","","90","","90","","4632.42","0.09","140","0.1","140","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C208 H248 N8 O32 -","8","1","","Muriel, Bastian; Gagnebin, Alec; Waser, Jerome","Synthesis of Bicyclo[3.1.0]hexanes by (3+2) Annulation of Cyclopropenes with Aminocyclopropanes","Chemical Science","2019","","","","","10.1039/C9SC03790J","","x-ray","1.54184","CuKα","","0.0425","0.035","","","0.0891","0.0953","","","","","","1.022","","","","has coordinates","219170","2020-10-21","18:00:00",""
"1552396","10.3332","0.0006","14.5631","0.0009","15.1782","0.0009","90","","90","","90","","2284.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C112 H96 O16 S8 -","8","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0395","0.0322","","","0.0876","0.0956","","","","","","1.024","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552401","5.5482","0.0017","12.167","0.003","24.556","0.006","90","","90","","90","","1657.7","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","0.5","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0563","0.0441","","","0.1171","0.1238","","","","","","1.055","","","","has coordinates","219188","2020-10-21","18:00:00",""
"1552420","10.9699","0.0003","16.9662","0.0004","36.5183","0.0008","90","","90","","90","","6796.7","0.3","296","","297","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H39 F6 Ir O P2 -","- C37 H39 F6 Ir O P2 -","- C296 H312 F48 Ir8 O8 P16 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.055","0.0428","","","0.1022","0.1096","","","","","","1.019","","","","has coordinates,has disorder","219338","2020-10-21","18:00:00",""
"1552422","11.1444","0.0003","24.2099","0.0006","39.1676","0.001","90","","90","","90","","10567.6","0.5","296","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H61 B Ir O P -","- C65 H61 B Ir O P -","- C520 H488 B8 Ir8 O8 P8 -","8","1","","Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua","One-pot syntheses of irida-polycyclic aromatic hydrocarbons","Chemical Science","2019","","","","","10.1039/C9SC03914G","","","1.54178","CuKα","","0.0454","0.0428","","","0.1052","0.1073","","","","","","1.068","","","","has coordinates","219338","2020-10-21","18:00:00",""
"1552441","21.083","0.003","7.043","0.0009","23.465","0.003","90","","90","","90","","3484.3","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","TPHAP","","- C22 H13 N9 -","- C22 H13 N9 -","- C176 H104 N72 -","8","1","","Kim, Jaejun; Ohtsu, Hiroyoshi; Den, Taizen; Deekamwong, Krittanun; Muneta, Iriya; Kawano, Masaki","Control of anisotropy of redox-active molecule-based film leads to non-volatile resistive switching memory","Chemical Science","2019","","","","","10.1039/C9SC04213J","","x-ray","0.71073","MoKα","","0.1495","0.0666","","","0.1379","0.1886","","","","","","1.006","","","","has coordinates","219405","2020-10-21","18:00:00",""
"1552514","17.3395","0.001","18.5712","0.001","19.5632","0.0012","90","","90","","90","","6299.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H52 Mn N P4 Si -","- C25.0012 H52.0032 Mn N P4.0004 Si -","- C200.01 H416.026 Mn8 N8 P32.0032 Si8 -","8","1","","Price, Jeffrey S.; Emslie, David J. H.","Interconversion and reactivity of manganese silyl, silylene, and silene complexes","Chemical Science","2019","","","","","10.1039/C9SC04513A","","","0.71073","MoKα","","0.1117","0.0846","","","0.1787","0.1859","","","","","","1.227","","","","has coordinates,has disorder","220520","2020-10-21","18:00:00",""
"1552559","7.513","0.013","13.49","0.02","32.45","0.06","90","","90","","90","","3289","10","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C152 H96 Br8 N8 O32 -","8","1","","Kundu, Tania; Bhattacharjee, Bharati; Hazra, Subhenjit; Ghosh, Arnab K.; Bandyopadhyay, Debasish; Pramanik, Animesh","Synthesis and Biological Assessment of Pyrrolobenzoxazine Scaffold as a Potent Antioxidant.","Journal of medicinal chemistry","2019","62","13","6315","6329","10.1021/acs.jmedchem.9b00717","","","0.71073","MoKα","","0.0962","0.0469","","","0.088","0.1001","","","","","","1.009","","","","has coordinates","222069","2020-10-21","18:00:00",""
"1552809","17.2401","0.0011","19.3123","0.0016","41.135","0.003","90","","90","","90","","13695.7","1.7","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H58 N16 O3 Si4 -","- C77 H58 N16 O3 Si4 -","- C616 H464 N128 O24 Si32 -","8","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","1.54178","CuKα","","0.1227","0.0918","","","0.1962","0.208","","","","","","1.127","","","","has coordinates","227442","2020-10-21","18:00:00",""
"1552840","9.738","0.004","7.241","0.003","24.578","0.01","90","","90","","90","","1733.1","1.2","566","2","566","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O2 S2 -","- C9 H6 O2 S2 -","- C72 H48 O16 S16 -","8","1","","Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang","Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells","Macromolecules","2018","52","1","341","","10.1021/acs.macromol.8b02360","","","0.71073","MoKα","","0.1129","0.109","","","0.382","0.3928","","","","","","3.87","","","","has coordinates","227473","2020-10-21","18:00:00",""
"1552865","15.0751","0.0006","7.6891","0.0004","20.7891","0.0009","90","","90","","90","","2409.75","0.19","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C96 H88 N24 O16 S8 -","8","1","IS5524","Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar","2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide","IUCrData","2019","4","11","x191501","","10.1107/S2414314619015013","","","0.71073","MoKα","","0.0779","0.0628","","","0.1611","0.1728","","","","","","1.071","","","","has coordinates,has Fobs","227698","2020-10-21","18:00:00",""
"1552877","10.4512","0.0001","18.0543","0.0002","38.7653","0.0005","90","","90","","90","","7314.59","0.14","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 Au Cl2 N3 -","- C41 H52 Au Cl2 N3 -","- C328 H416 Au8 Cl16 N24 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0302","0.0266","","","0.0829","0.0851","","","","","","1.065","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552880","10.0502","0.0002","17.6546","0.0003","39.3833","0.0006","90","","90","","90","","6987.9","0.2","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H49 Au Cl2 N2 O -","- C40 H49 Au Cl2 N2 O -","- C320 H392 Au8 Cl16 N16 O8 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0706","0.0652","","","0.1031","0.1048","","","","","","1.461","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1553000","13.085","0.005","12.063","0.005","23.777","0.009","90","","90","","90","","3753","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Cl6 O6 Ti2 -","- C30 H44 Cl6 O6 Ti2 -","- C120 H176 Cl24 O24 Ti8 -","4","0.5","","Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui","A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism","Org. Chem. Front.","2014","1","8","929","","10.1039/C4QO00140K","","","0.71073","MoKα","","0.1282","0.0641","","","0.1683","0.1906","","","","","","1.001","","","","has coordinates","232950","2020-10-21","18:00:00",""
"1553012","11.876","0.004","7.462","0.003","24.973","0.008","90","","90","","90","","2213.1","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong","Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization","Org. Chem. Front.","2014","1","8","940","","10.1039/C4QO00159A","","","0.71073","MoKα","","0.08","0.056","","","0.1394","0.1549","","","","","","1.079","","","","has coordinates","232961","2020-10-21","18:00:00",""
"1553050","17.5053","0.0019","20.281","0.002","21.1684","0.0018","90","","90","","90","","7515.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H53 B11 N2 -","- C32 H53 B11 N2 -","- C256 H424 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.2374","0.0733","","","0.1637","0.2567","","","","","","0.996","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553051","17.474","0.002","20.161","0.002","21.123","0.002","90","","90","","90","","7441.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H55 B11 N2 -","- C32 H55 B11 N2 -","- C256 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1324","0.0646","","","0.1543","0.1982","","","","","","0.948","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553054","17.5189","0.0009","20.3686","0.0012","21.3348","0.0013","90","","90","","90","","7613","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H55 B11 N2 -","- C33 H55 B11 N2 -","- C264 H440 B88 N16 -","8","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1259","0.056","","","0.1254","0.1681","","","","","","1.032","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553064","23.3371","0.0003","23.5232","0.0002","27.0473","0.0003","90","","90","","90","","14848","0.3","123.01","0.1","123.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H114 Br4 Cl2 N4 O9 -","- C72 H114 Br4 Cl2 N4 O9 -","- C576 H912 Br32 Cl16 N32 O72 -","8","1","","Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K.","N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands","Organic Chemistry Frontiers","2015","2","4","340","","10.1039/C4QO00326H","","","1.5418","CuKα","","0.0905","0.0778","","","0.2208","0.2411","","","","","","1.051","","","","has coordinates,has disorder","233014","2020-10-21","18:00:00",""
"1553153","12.4972","0.0002","14.1613","0.0002","17.5538","0.0003","90","","90","","90","","3106.61","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","x-ray","1.54184","CuKα","","0.0422","0.0379","","","0.0934","0.0966","","","","","","1.05","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553164","12.5003","0.0011","9.5999","0.0008","34.846","0.003","90","","90","","90","","4181.6","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C176 H192 Cl8 N8 O32 -","8","1","","Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong","Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water","Organic Chemistry Frontiers","2015","2","10","1326","","10.1039/C5QO00202H","","","0.71073","MoKα","","0.0973","0.0465","","","0.094","0.1073","","","","","","1.015","","","","has coordinates","233651","2020-10-21","18:00:00",""
"1553166","7.008","0.002","13.515","0.004","19.467","0.006","90","","90","","90","","1843.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C80 H64 N32 O8 -","8","1","","Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei","The development of carbene-stabilized N‒O radical coupling strategy in metal-free regioselective C‒H azidation of quinoline N-oxides","Organic Chemistry Frontiers","2015","2","10","1313","","10.1039/C5QO00204D","","","0.71073","MoKα","","0.0925","0.0571","","","0.1495","0.1799","","","","","","1.025","","","","has coordinates","233655","2020-10-21","18:00:00",""
"1553222","34.01","0.05","9.158","0.013","7.196","0.01","90","","90","","90","","2241","6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","no","3-fluoro-6,7,8,9-tetrahydrobenzo[a]azulen-10(5H)-one","","- C14 H13 F O -","- C14 H13 F O -","- C112 H104 F8 O8 -","8","1","","Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu","A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures","Organic Chemistry Frontiers","2016","3","3","354","","10.1039/C5QO00392J","","","0.71073","MoKα","","0.094","0.047","","","0.1189","0.1405","","","","","","1.037","","","","has coordinates","233715","2020-10-21","18:00:00",""
"1553263","11.78544","0.00006","14.43434","0.00011","23.04719","0.00013","90","","90","","90","","3920.67","0.04","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18.75 H26 Cl Ir N5 O0.75 -","- C18.75 H26 Cl Ir N5 O0.75 -","- C150 H208 Cl8 Ir8 N40 O6 -","8","1","","Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.","Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.","Journal of medicinal chemistry","2018","61","16","7330","7344","10.1021/acs.jmedchem.8b00906","","x-ray","1.54184","CuKα","","0.0253","0.0229","","","0.059","0.0611","","","","","","1.05","","","","has coordinates,has disorder","234023","2020-10-21","18:00:00",""
"1553326","8.7826","0.0002","13.1341","0.0004","16.1714","0.0003","90","","90","","90","","1865.4","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","","Chang, Fang-Rong; Li, Pei-Shian; Huang Liu, Rosa; Hu, Hao-Chun; Hwang, Tsong-Long; Lee, Jin-Ching; Chen, Shu-Li; Wu, Yang-Chang; Cheng, Yuan-Bin","Bioactive Phenolic Components from the Twigs of Atalantia buxifolia.","Journal of natural products","2018","81","7","1534","1539","10.1021/acs.jnatprod.7b00938","","","1.54178","CuKα","","0.0548","0.0447","","","0.1409","0.1588","","","","","","1.044","","","","has coordinates","234106","2020-10-21","18:00:00",""
"1553379","12.9258","0.0001","18.5966","0.0002","20.6239","0.0002","90","","90","","90","","4957.49","0.08","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 N O3 -","- C29 H35 N O3 -","- C232 H280 N8 O24 -","8","1","","Ma, Xiao-Li; Li, Jun; Zheng, Jiao; Gu, Xiao-Pan; Ferreira, Daneel; Zjawiony, Jordan K.; Zhao, Ming-Bo; Guo, Xiao-Yu; Tu, Peng-Fei; Jiang, Yong","LC-MS-Guided Isolation of Insulin-Secretion-Promoting Monoterpenoid Carbazole Alkaloids from Murraya microphylla.","Journal of natural products","2018","81","11","2371","2380","10.1021/acs.jnatprod.8b00338","","x-ray","1.54184","CuKα","","0.1399","0.1102","","","0.2998","0.3396","","","","","","1.254","","","","has coordinates","234199","2020-10-21","18:00:00",""
"1553460","16.558","0.003","17.307","0.004","19.571","0.004","90","","90","","90","","5608","2","173.15","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl2 F3 N7 S -","- C27 H26 Cl2 F3 N7 S -","- C216 H208 Cl16 F24 N56 S8 -","8","1","","Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang","Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates","Organic Chemistry Frontiers","2016","3","7","880","","10.1039/C6QO00161K","","","0.71073","MoKα","","0.0947","0.0895","","","0.2241","0.2349","","","","","","1.243","","","","has coordinates,has disorder","235022","2020-10-21","18:00:00",""
"1553528","12.7034","0.0011","11.6077","0.001","28.683","0.005","90","","90","","90","","4229.5","0.9","102.1","","102.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O2 Si -","- C22 H32 O2 Si -","- C176 H256 O16 Si8 -","8","1","","Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo","Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion","Organic Chemistry Frontiers","2016","3","12","1691","","10.1039/C6QO00453A","","","0.71073","MoKα","","0.1939","0.1532","","","0.3787","0.4104","","","","","","1.06","","","","has coordinates,has disorder","235099","2020-10-21","18:00:00",""
"1553532","11.1348","0.0009","10.8734","0.001","24.741","0.002","90","","90","","90","","2995.5","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong","Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner","Organic Chemistry Frontiers","2016","3","12","1746","","10.1039/C6QO00462H","","x-ray","0.71073","MoKα","","0.2039","0.0674","","","0.1267","0.1889","","","","","","0.926","","","","has coordinates","235104","2020-10-21","18:00:00",""
"1553534","11.335","0.002","7.4991","0.0015","37.869","0.008","90","","90","","90","","3219","1.1","173.15","","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling","Organic Chemistry Frontiers","2016","3","12","1668","","10.1039/C6QO00469E","","","0.71073","MoKα","","0.0799","0.0693","","","0.1375","0.1441","","","","","","1.172","","","","has coordinates","235107","2020-10-21","18:00:00",""
"1553541","7.6825","0.0003","17.5861","0.0008","22.9639","0.0011","90","","90","","90","","3102.5","0.2","100","1","100","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","","Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Catalytic applications of [IPr·GaX2][SbF6] and related species","Organic Chemistry Frontiers","2016","3","12","1603","","10.1039/C6QO00470A","","x-ray","0.71073","MoKα","","0.0669","0.0581","","","0.1538","0.1604","","","","","","1.041","","","","has coordinates","235110","2020-10-21","18:00:00",""
"1553583","16.4974","0.0002","6.84171","0.0001","28.6498","0.0003","90","","90","","90","","3233.72","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br2 F3 -","- C18 H15 Br2 F3 -","- C144 H120 Br16 F24 -","8","1","","Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes","Organic Chemistry Frontiers","2017","4","2","255","","10.1039/C6QO00643D","","","1.5418","CuKα","","0.0263","0.0232","","","0.0596","0.0612","","","","","","1.055","","","","has coordinates","235169","2020-10-21","18:00:00",""
"1553606","8.874","0.006","13.733","0.009","27.215","0.017","90","","90","","90","","3317","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun","Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones","Organic Chemistry Frontiers","2017","4","2","292","","10.1039/C6QO00698A","","","0.71073","MoKα","","0.0465","0.0354","","","0.0886","0.0962","","","","","","1.031","","","","has coordinates","235197","2020-10-21","18:00:00",""
"1553622","15.6516","0.0005","14.7041","0.0004","20.8303","0.0006","90","","90","","90","","4793.9","0.2","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N4 O2 Si -","- C23 H30 N4 O2 Si -","- C184 H240 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","0.71073","MoKα","","0.048","0.0389","","0.1007","0.0942","0.1005","","","","","","1.0233","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553625","8.9462","0.0005","11.9145","0.0006","43.549","0.002","90","","90","","90","","4641.9","0.4","180","","180","","","","101","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N4 O2 Si -","- C21 H34 N4 O2 Si -","- C168 H272 N32 O16 Si8 -","8","1","","Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S.","Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry","Organic Chemistry Frontiers","2017","4","6","978","","10.1039/C6QO00787B","","","1.54178","CuKα","","0.0668","0.0577","","0.1162","0.1136","0.1162","","","","","","0.9617","","","","has coordinates","235218","2020-10-21","18:00:00",""
"1553739","25.513","0.013","13.881","0.008","6.794","0.004","90","","90","","90","","2406","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-fluoro-2-phenyl-1H-indole-1-carbonitrile","","- C15 H9 F N2 -","- C15 H9 F N2 -","- C120 H72 F8 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.1134","","","","0.3222","","","","","","1.049","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553740","25.555","0.002","14.1257","0.0011","6.8724","0.0006","90","","90","","90","","2480.8","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-1H-indole-1-carbonitrile","","- C16 H13 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L.","Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions","Org. Chem. Front.","2017","4","8","1574","","10.1039/C7QO00109F","","","0.71075","MoKα","","","0.0467","","","","0.1541","","","","","","0.92","","","","has coordinates","235960","2020-10-21","18:00:00",""
"1553783","10.7971","0.0008","15.2395","0.0013","26.1285","0.0019","90","","90","","90","","4299.2","0.6","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ph-4Br-Pyr","","- C22 H18 Br4 N2 -","- C22 H18 Br4 N2 -","- C176 H144 Br32 N16 -","8","1","","Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives","Organic Chemistry Frontiers","2017","4","9","1785","","10.1039/C7QO00287D","","","0.7107","MoKα","","0.0826","0.0529","","","0.0992","0.1106","","","","","","1.065","","","","has coordinates","236027","2020-10-21","18:00:00",""
"1553897","18.1727","0.0015","10.5743","0.0009","23.813","0.0019","90","","90","","90","","4576","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl F3 N2 O3 -","- C23 H20 Cl F3 N2 O3 -","- C184 H160 Cl8 F24 N16 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","2","210","","10.1039/C7QO00772H","","","0.71073","MoKα","","0.1089","0.0596","","","0.1255","0.1478","","","","","","1.032","","","","has coordinates","236137","2020-10-21","18:00:00",""
"1553939","8.8464","0.0004","13.6195","0.0006","30.1026","0.0012","90","","90","","90","","3626.9","0.3","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Si -","- C22 H22 Si -","- C176 H176 Si8 -","8","1","","Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng","Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)‒Si bond cleavage","Organic Chemistry Frontiers","2018","5","5","860","","10.1039/C7QO00927E","","x-ray","0.71073","MoKα","","0.04","0.0365","","","0.0977","0.1005","","","","","","1.034","","","","has coordinates","236184","2020-10-21","18:00:00",""
"1553990","17.9676","0.0003","25.7114","0.0006","27.222","0.0005","90","","90","","90","","12575.8","0.4","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C48H40P2Mo3S7Br6","","- C48 H40 Br6 Mo3 P2 S7 -","- C48 H40 Br6 Mo3 P2 S7 -","- C384 H320 Br48 Mo24 P16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0668","0.0451","","","0.1182","0.1266","","","","","","1.135","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1553991","18.3547","0.0003","18.62","0.0003","29.2421","0.0005","90","","90","","90","","9993.9","0.3","150.05","0.1","150.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C32H72Cl6Mo3S7N2","","- C32 H72 Cl6 Mo3 N2 S7 -","- C32 H72 Cl6 Mo3 N2 S7 -","- C256 H576 Cl48 Mo24 N16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0881","0.0641","","","0.1665","0.1858","","","","","","1.067","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1554012","16.082","0.0005","7.689","0.0015","22.68","0.0007","90","","90","","90","","2804.5","0.6","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","1.54184","CuKα","","0.0602","0.0473","","","0.1242","0.1383","","","","","","1.036","","","","has coordinates","236427","2020-10-21","18:00:00",""
"1554013","15.898","0.0013","7.6343","0.0005","22.722","0.0018","90","","90","","90","","2757.8","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl N -","- C16 H16 Cl N -","- C128 H128 Cl8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.1302","0.0654","","","0.1576","0.1981","","","","","","1.021","","","","has coordinates","236429","2020-10-21","18:00:00",""
"1554016","16.3828","0.0018","8.1068","0.0007","24.499","0.003","90","","90","","90","","3253.8","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N -","- C18 H20 Br N -","- C144 H160 Br8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.1508","0.0557","","","0.1192","0.1547","","","","","","1.012","","","","has coordinates","236435","2020-10-21","18:00:00",""
"1554023","16.4326","0.0017","7.7795","0.0005","22.582","0.002","90","","90","","90","","2886.8","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 I N -","- C16 H16 I N -","- C128 H128 I8 N8 -","8","1","","Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing","External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction.","The journal of physical chemistry. A","2016","120","29","5791","5797","10.1021/acs.jpca.6b03867","","","0.71073","MoKα","","0.0695","0.0431","","","0.0946","0.1083","","","","","","1.021","","","","has coordinates","236448","2020-10-21","18:00:00",""
"1554123","12.8953","0.0006","16.0322","0.0007","32.3384","0.0014","90","","90","","90","","6685.6","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(diphenylamino)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide","","- C41.7 H38.28 Cl0.12 N2 O2 S -","- C41.7 H38.28 Cl0.12 N2 O2 S -","- C333.6 H306.24 Cl0.96 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.71073","MoKα","","0.0527","0.0369","","","0.0831","0.0907","","","","","","1.034","","","","has coordinates,has disorder","236597","2020-10-21","18:00:00",""
"1554124","16.8912","0.0006","11.396","0.0004","37.1194","0.0014","90","","90","","90","","7145.2","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide, dichloromethane solvate","","- C44 H38 Cl2 N2 O2 S -","- C44 H38 Cl2 N2 O2 S -","- C352 H304 Cl16 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.6889","synchrotron","","0.1134","0.0846","","","0.2421","0.2726","","","","","","1.041","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554125","16.9973","0.0007","11.406","0.0005","37.216","0.0016","90","","90","","90","","7215.1","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide, dichloromethane solvate","","- C44 H38 Cl2 N2 O2 S -","- C44 H38 Cl2 N2 O2 S -","- C352 H304 Cl16 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","1.54184","CuKα","","0.075","0.0534","","","0.1247","0.1337","","","","","","1.064","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554158","8.2756","0.0004","22.251","0.0012","28.8955","0.0015","90","","90","","90","","5320.8","0.5","123","","123","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard","Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?","Macromolecules","2016","49","5","1582","","10.1021/acs.macromol.5b01937","","x-ray","0.71073","MoKα","","0.0358","0.0253","","","0.052","0.0555","","","","","","1.105","","","","has coordinates","236697","2020-10-21","18:00:00",""
"1554172","11.582","0.003","17.782","0.004","25.537","0.006","90","","90","","90","","5259","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cl2 Hf -","- C34 H28 Cl2 Hf -","- C272 H224 Cl16 Hf8 -","8","1","","Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard","High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers","Macromolecules","2018","51","3","914","","10.1021/acs.macromol.7b02679","","x-ray","0.71073","MoKα","","0.0656","0.0418","","","0.0625","0.0694","","","","","","1.162","","","","has coordinates,has disorder","236724","2020-10-21","18:00:00",""
"1554180","15.9365","0.0003","14.9569","0.0002","21.2219","0.0003","90","","90","","90","","5058.47","0.14","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cl5 N2 O3 Ti -","- C22 H26 Cl5 N2 O3 Ti -","- C176 H208 Cl40 N16 O24 Ti8 -","8","1","","Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P.","Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes","Macromolecules","2019","52","9","3252","","10.1021/acs.macromol.9b00182","","x-ray","0.71073","MoKα","","0.0575","0.0473","","","0.0869","0.0899","","","","","","1.223","","","","has coordinates,has disorder","236735","2020-10-21","18:00:00",""
"1554260","5.565","0.001","17.417","0.006","19.97","0.005","90","","90","","90","","1935.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-amine","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.0728","0.0429","","","0.102","0.1167","","","","","","1.1","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554308","8.2423","0.0002","18.2962","0.0006","34.5544","0.0012","90","","90","","90","","5210.9","0.3","117.5","0.3","117.5","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 F N O8 S -","- C28 H26 F N O8 S -","- C224 H208 F8 N8 O64 S8 -","8","1","","Xing, Siyang; Cui, Hong; Qin, Jiajing; Gu, Nan; Zhang, Bowei; Wang, Kui; Wang, Ying; Xia, Li; Wang, Yumeng","Diastereoselective synthesis of cis-1,3-disubstituted isoindolines via a highly site-selective tandem cyclization reaction","Organic Chemistry Frontiers","2018","5","12","1950","","10.1039/C8QO00316E","","x-ray","1.54184","CuKα","","0.0828","0.0624","","","0.1503","0.167","","","","","","1.01","","","","has coordinates","237113","2020-10-21","18:00:00",""
"1554363","18.6245","0.0007","13.7023","0.0006","22.6048","0.0011","90","","90","","90","","5768.7","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl F3 N2 Pd -","- C28 H28 Cl F3 N2 Pd -","- C224 H224 Cl8 F24 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0752","0.0525","","","0.1484","0.1683","","","","","","1.052","","","","has coordinates,has disorder","237157","2020-10-21","18:00:00",""
"1554364","18.9753","0.0007","19.6328","0.0008","20.1865","0.0008","90","","90","","90","","7520.2","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H39 Cl N2 Pd -","- C48 H39 Cl N2 Pd -","- C384 H312 Cl8 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0436","0.0295","","","0.0645","0.0701","","","","","","1.041","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554394","8.3324","0.0007","18.0049","0.0015","18.9382","0.0019","90","","90","","90","","2841.2","0.4","296.32","0.1","296.32","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C136 H104 F16 N8 O16 -","8","1","","Ma, Xingxing; Deng, Shuilin; Song, Qiuling","Halodifluoroacetates as formylation reagents for various amines via unprecedented quadruple cleavage","Organic Chemistry Frontiers","2018","5","24","3505","","10.1039/C8QO00727F","","x-ray","0.71073","MoKα","","0.0657","0.0445","","","0.1082","0.1237","","","","","","1.0611","","","","has coordinates","237187","2020-10-21","18:00:00",""
"1554408","7.5983","0.0003","16.424","0.0007","20.8458","0.0008","90","","90","","90","","2601.44","0.18","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 5-(5-bromo-2-hydroxybenzoyl) nicotinate","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C112 H80 Br8 N8 O32 -","8","1","","Maezono, Shizuka Mei Bautista; Kim, Sung Hong; Lee, Yong Rok","Copper-catalyzed [3 + 2 + 1] annulation for functionalized pyridines as potent and dynamic UV absorbers","Organic Chemistry Frontiers","2018","5","23","3368","","10.1039/C8QO00782A","","","0.71073","MoKα","","0.0345","0.0252","","","0.0607","0.0658","","","","","","1.055","","","","has coordinates","237206","2020-10-21","18:00:00",""
"1554479","17.2641","0.001","14.8304","0.0008","23.9088","0.0014","90","","90","","90","","6121.5","0.6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(5-hydroxy-1,3-dimethyl-1H-pyrazol-2-ium-4-yl)- 1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C144 H160 F96 N32 O80 S32 -","16","2","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0451","0.0373","","","0.0889","0.0929","","","","","","1.064","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554489","7.4865","0.0008","11.7277","0.0013","20.913","0.003","90","","90","","90","","1836.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","1","","Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming","Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives","Organic Chemistry Frontiers","2019","6","4","426","","10.1039/C8QO01054D","","","0.71073","MoKα","","0.0552","0.0436","","","0.0997","0.108","","","","","","1.106","","","","has coordinates","237278","2020-10-21","18:00:00",""
"1554509","15.5817","0.0005","20.6208","0.0006","22.0566","0.0007","90","","90","","90","","7086.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H86 F12 N2 O6 P4 -","- C74 H86 F12 N2 O6 P4 -","- C296 H344 F48 N8 O24 P16 -","4","0.5","","Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan","Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts","Organic Chemistry Frontiers","2019","6","1","110","","10.1039/C8QO01122B","","","1.54178","CuKα","","0.1075","0.1029","","","0.2711","0.2756","","","","","","1.046","","","","has coordinates,has disorder","237297","2020-10-21","18:00:00",""
"1554531","6.6055","0.0003","11.5186","0.0005","23.4809","0.001","90","","90","","90","","1786.57","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 F N5 O6 -","- C5 H4 F N5 O6 -","- C40 H32 F8 N40 O48 -","8","1","","Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B.","N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design","Organic Chemistry Frontiers","2019","6","2","249","","10.1039/C8QO01173G","","","0.71073","MoKα","","0.0368","0.0317","","","0.0837","0.0878","","","","","","1.039","","","","has coordinates","237313","2020-10-21","18:00:00",""
"1554551","11.8513","0.0006","8.0917","0.0004","24.6768","0.0012","90","","90","","90","","2366.4","0.2","295.38","0.1","295.38","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C104 H176 O16 -","8","1","","He, Min; Yi, Jiuzhou; Zhao, Gaoyuan; Chen, Peiqi; Long, Dan; Hu, Xiaojun; Li, Huilin; Xie, Xingang; Wang, Xiaolei; She, Xuegong","A concise approach to the tricyclic framework of longipinane- and ent-longipinane-type sesquiterpenoids","Organic Chemistry Frontiers","2019","6","3","383","","10.1039/C8QO01235K","","","0.71073","MoKα","","0.0908","0.0642","","","0.152","0.1749","","","","","","1.066","","","","has coordinates","237331","2020-10-21","18:00:00",""
"1554629","11.0661","0.0015","13.9316","0.0019","15.839","0.002","90","","90","","90","","2441.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 N8 O8 -","- C6 H6 N8 O8 -","- C48 H48 N64 O64 -","8","1","","Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen","Customization of the molecular structure to modulate the crystal packing style of energetic materials","Molecular Systems Design & Engineering","2019","4","5","1032","","10.1039/C9ME00051H","","","0.71073","MoKα","","0.0598","0.0464","","","0.1049","0.111","","","","","","1.089","","","","has coordinates","237910","2020-10-21","18:00:00",""
"1554784","14.1538","0.0012","10.7714","0.0008","20.0319","0.0019","90","","90","","90","","3054","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O2 S2 -","- C13 H18 N2 O2 S2 -","- C104 H144 N16 O16 S16 -","8","1","","Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry","Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters","Organic Chemistry Frontiers","2019","6","8","1244","","10.1039/C9QO00202B","","","0.71073","MoKα","","0.1567","0.0652","","","0.124","0.1493","","","","","","0.927","","","","has coordinates","238118","2020-10-21","18:00:00",""
"1554931","17.4772","0.0006","10.488","0.0005","19.6463","0.0005","90","","90","","90","","3601.2","0.2","296.8","0.2","296.8","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","","Huang, Guofei; Ren, Xiaoyu; Jiang, Chunhui; Wu, Jia-Hong; Gao, Guowei; Wang, Tianli","Efficient synthesis of (E)-2-nitromethylcinnamates via phosphine-catalyzed tandem α-addition and 1,3-rearrangement","Organic Chemistry Frontiers","2019","6","16","2872","","10.1039/C9QO00478E","","x-ray","1.54184","CuKα","","0.0659","0.056","","","0.1629","0.1792","","","","","","0.903","","","","has coordinates","238217","2020-10-21","18:00:00",""
"1554954","28.3482","0.0011","19.5347","0.0007","7.5873","0.0003","90","","90","","90","","4201.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Fe O2 S -","- C27 H24 Fe O2 S -","- C216 H192 Fe8 O16 S8 -","8","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.0768","0.0497","","","0.0928","0.1026","","","","","","1.046","","","","has coordinates","238235","2020-10-21","18:00:00",""
"1554972","14.5964","0.0005","13.9382","0.0005","14.6669","0.0005","90","","90","","90","","2983.94","0.18","194","2","194","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Hu, Xiaoping; Wang, Gaonan; Qin, Chunxiang; Xie, Xin; Zhang, Chunli; Xu, Wei; Liu, Yuanhong","Ligandless nickel-catalyzed transfer hydrogenation of alkenes and alkynes using water as the hydrogen donor","Organic Chemistry Frontiers","2019","6","15","2619","","10.1039/C9QO00616H","","","0.71073","MoKα","","0.0422","0.0359","","","0.088","0.0931","","","","","","1.034","","","","has coordinates","238246","2020-10-21","18:00:00",""
"1554984","19.0146","0.0006","13.8372","0.0003","21.2518","0.0005","90","","90","","90","","5591.5","0.3","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B11 Cl6 O -","- C20 H21 B11 Cl6 O -","- C160 H168 B88 Cl48 O8 -","8","1","","Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Peraryl-X-onium ions of nitrogen and oxygen","Organic Chemistry Frontiers","2019","6","15","2640","","10.1039/C9QO00633H","","x-ray","0.71073","MoKα","","0.0452","0.0392","","","0.1062","0.1098","","","","","","1.043","","","","has coordinates","238253","2020-10-21","18:00:00",""
"1555061","10.6177","0.0009","21.038","0.003","26.249","0.002","90","","90","","90","","5863.4","1.1","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H22 Cl2 N4 O4 -","- C34 H22 Cl2 N4 O4 -","- C272 H176 Cl16 N32 O32 -","8","1","","Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion","Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.","Organic letters","2015","17","14","3494","3497","10.1021/acs.orglett.5b01576","","","0.71073","MoKα","","0.188","0.078","","0.0928","0.0458","0.0458","","","","","","1.0968","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555082","10.1327","0.001","12.0719","0.0014","28.967","0.003","90","","90","","90","","3543.3","0.7","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9.5 H8.5 N0.5 O0.5 S -","- C9.5 H8.5 N0.5 O0.5 S -","- C152 H136 N8 O8 S16 -","16","2","","Zhou, Yao; Lou, Yixian; Wang, Ya; Song, Qiuling","Oxidant-controlled divergent transformations of 3-aminoindazoles for the synthesis of pyrimido[1,2-b]-indazoles and aromatic nitrile-derived dithioacetals","Organic Chemistry Frontiers","2019","6","19","3355","","10.1039/C9QO00847K","","x-ray","0.71073","MoKα","","0.1198","0.0634","","","0.1463","0.1848","","","","","","0.8505","","","","has coordinates","238307","2020-10-21","18:00:00",""
"1555107","8.8394","0.001","8.5924","0.001","23.437","0.003","90","","90","","90","","1780.1","0.4","291","2","291","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(1R*,5S*,8S*)-4,6-Dioxatricyclo[6.4.0.0^1,5^]dodec-10-en-7-one","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0796","0.0696","","","0.1582","0.1644","","","","","","1.22","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555118","10.1992","0.001","17.1094","0.0019","33.448","0.003","90","","90","","90","","5836.7","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cl2 N2 O3 -","- C34 H28 Cl2 N2 O3 -","- C272 H224 Cl16 N16 O24 -","8","1","","Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo","Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction","Organic Chemistry Frontiers","2019","6","20","3530","","10.1039/C9QO00891H","","","0.71073","MoKα","","0.1643","0.0727","","","0.1324","0.1624","","","","","","1.052","","","","has coordinates","238330","2020-10-21","18:00:00",""
"1555158","11.4945","0.0005","7.5152","0.0004","17.4299","0.0009","90","","90","","90","","1505.66","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H3 Cl2 N2 -","- C7 H4 Cl2 N2 -","- C56 H32 Cl16 N16 -","8","1","","Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines.","Organic letters","2015","17","16","3998","4001","10.1021/acs.orglett.5b01868","","","1.54178","CuKα","","0.0457","0.0372","","","0.0946","0.1032","","","","","","1.056","","","","has coordinates","238355","2020-10-21","18:00:00",""
"1555165","11.48","0.002","10.279","0.002","26.181","0.005","90","","90","","90","","3089.4","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C136 H136 Br8 O40 -","8","1","","Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen","Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.","Organic letters","2015","17","17","4184","4187","10.1021/acs.orglett.5b01928","","","0.71073","MoKα","","0.0493","0.0384","","","0.1015","0.1085","","","","","","1.062","","","","has coordinates","238361","2020-10-21","18:00:00",""
"1555196","12.7097","0.0009","15.6515","0.0013","17.3613","0.0014","90","","90","","90","","3453.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage.","Organic letters","2015","17","16","4066","4069","10.1021/acs.orglett.5b01986","","","0.71075","MoKα","","","0.0446","","","","0.1156","","","","","","1.076","","","","has coordinates","238383","2020-10-21","18:00:00",""
"1555200","8.899","0.008","16.027","0.013","21.774","0.019","90","","90","","90","","3106","5","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.1027","0.0676","","","0.1251","0.1376","","","","","","1.104","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555202","16.535","0.0007","8.4288","0.0004","22.1228","0.0009","90","","90","","90","","3083.3","0.2","100","","100.16","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit","Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part","Organic Chemistry Frontiers","2019","6","21","3649","","10.1039/C9QO01134J","","x-ray","0.71073","MoKα","","0.0729","0.0557","","","0.1381","0.1519","","","","","","1.061","","","","has coordinates","238386","2020-10-21","18:00:00",""
"1555208","9.5341","0.0002","17.1742","0.0004","34.8068","0.0007","90","","90","","90","","5699.3","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H22 F6 -","- C42 H22 F6 -","- C336 H176 F48 -","8","1","","Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F.","Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene.","Organic letters","2015","17","17","4224","4227","10.1021/acs.orglett.5b02009","","x-ray","1.54178","CuKα","","0.0436","0.0363","","","0.0954","0.1011","","","","","","1.039","","","","has coordinates","238389","2020-10-21","18:00:00",""
"1555225","13.9815","0.0008","16.6793","0.0006","26.5582","0.0009","90","","90","","90","","6193.4","0.5","217.9","","217.9","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H32 N2 O9 -","- C40 H32 N2 O9 -","- C320 H256 N16 O72 -","8","1","","Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata.","Organic letters","2015","17","16","4102","4105","10.1021/acs.orglett.5b02044","","","0.7107","MoKα","","0.0667","0.0481","","","0.095","0.1037","","","","","","1.032","","","","has coordinates","238405","2020-10-21","18:00:00",""
"1555258","6.9189","0.0001","13.8264","0.0003","21.5767","0.0005","90","","90","","90","","2064.1","0.07","100","0.2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl2 N3 S -","- C9 H5 Cl2 N3 S -","- C72 H40 Cl16 N24 S8 -","8","1","","Kalogirou, Andreas S.; Manoli, Maria; Koutentis, Panayiotis A.","Synthesis of N-Aryl-3,5-dichloro-4H-1,2,6-thiadiazin-4-imines from 3,4,4,5-Tetrachloro-4H-1,2,6-thiadiazine.","Organic letters","2015","17","16","4118","4121","10.1021/acs.orglett.5b02237","","","1.54184","CuKα","","0.0317","0.0315","","","0.0835","0.0838","","","","","","1.111","","","","has coordinates","238431","2020-10-21","18:00:00",""
"1555297","14.9558","0.0003","15.4562","0.0004","19.3998","0.0005","90","","90","","90","","4484.45","0.19","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H35 B N3 O P Ru -","- C20 H35 B N3 O P Ru -","- C160 H280 B8 N24 O8 P8 Ru8 -","8","1","","Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea","Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production","Sustainable Energy & Fuels","2019","3","10","2583","","10.1039/C9SE00241C","","x-ray","0.71073","MoKα","","0.0372","0.0265","","","0.0538","0.0586","","","","","","1.017","","","","has coordinates","238444","2020-10-21","18:00:00",""
"1555310","14.5086","0.0013","13.0756","0.0009","15.3147","0.001","90","","90","","90","","2905.3","0.4","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C152 H112 N16 O8 -","8","1","","Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark","Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation.","Organic letters","2015","17","19","4838","4841","10.1021/acs.orglett.5b02403","","","0.71073","MoKα","","0.0539","0.0398","","","0.0926","0.1022","","","","","","1.038","","","","has coordinates","238459","2020-10-21","18:00:00",""
"1555317","9.915","0.003","17.298","0.005","22.652","0.006","90","","90","","90","","3885","1.9","273","","273","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Au Cl P -","- C22 H17 Au Cl P -","- C176 H136 Au8 Cl8 P8 -","8","1","","Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke","Practical Synthesis and Properties of 2,5-Diarylarsoles.","Organic letters","2015","17","19","4854","4857","10.1021/acs.orglett.5b02416","","","0.71075","MoKα","","0.0525","0.0413","","","0.0889","0.0949","","","","","","0.934","","","","has coordinates","238469","2020-10-21","18:00:00",""
"1555389","12.7295","0.0012","15.5318","0.0014","24.571","0.002","90","","90","","90","","4858","0.7","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br N2 O3 -","- C29 H25 Br N2 O3 -","- C232 H200 Br8 N16 O24 -","8","1","","Li, Falin; Chen, Jiangfei; Hou, Yading; Li, Yujie; Wu, Xin-Yan; Tong, Xiaofeng","1,3-Dipolar Cycloadditions of 4-Acetoxy Allenoates: Access to 2,3-Dihydropyrazoles, 2,3-Dihydroisoxazoles, and Indolizines.","Organic letters","2015","17","21","5376","5379","10.1021/acs.orglett.5b02724","","","0.71073","MoKα","","0.058","0.0371","","","0.0825","0.0917","","","","","","1.017","","","","has coordinates","238599","2020-10-21","18:00:00",""
"1555447","15.108","0.0007","7.54","0.0005","27.9119","0.0014","90","","90","","90","","3179.6","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-methoxy-1-(4-methoxyphenyl)-9H-fluoren-9-one","","- C21 H16 O3 -","- C21 H16 O3 -","- C168 H128 O24 -","8","1","","Ravi Kumar, Devarapalli; Satyanarayana, Gedu","Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes.","Organic letters","2015","17","23","5894","5897","10.1021/acs.orglett.5b03077","","","1.54184","CuKα","","0.0806","0.0622","","","0.1677","0.1986","","","","","","1.052","","","","has coordinates","238690","2020-10-21","18:00:00",""
"1555469","12.5409","0.0014","7.8473","0.0008","31.588","0.003","90","","90","","90","","3108.6","0.6","130","","130","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O3 -","- C22 H14 O3 -","- C176 H112 O24 -","8","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0739","0.0467","","","0.1095","0.1241","","","","","","1.019","","","","has coordinates","238739","2020-10-21","18:00:00",""
"1555484","28.26","0.017","11.505","0.008","11.128","0.008","90","","90","","90","","3618","4","293","","293","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 N3 O3 P -","- C16 H24 N3 O3 P -","- C128 H192 N24 O24 P8 -","8","1","","Ahamad, Shakir; Kant, Ruchir; Mohanan, Kishor","Metal-Free Three-Component Domino Approach to Phosphonylated Triazolines and Triazoles.","Organic letters","2016","18","2","280","283","10.1021/acs.orglett.5b03437","","","0.71075","MoKα","","0.1783","0.0901","","","0.238","0.3076","","","","","","0.908","","","","has coordinates","238770","2020-10-21","18:00:00",""
"1555487","14.6593","0.001","7.8044","0.0006","27.406","0.002","90","","90","","90","","3135.4","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0998","0.0474","","","0.1006","0.1211","","","","","","1.022","","","","has coordinates","238778","2020-10-21","18:00:00",""
"1555490","13.21","0.0007","7.8624","0.0004","27.4014","0.0014","90","","90","","90","","2846","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","","Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume","Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles.","Organic letters","2016","18","8","1716","1719","10.1021/acs.orglett.6b00174","","x-ray","0.71073","MoKα","","0.0634","0.0473","","","0.1077","0.115","","","","","","1.039","","","","has coordinates","238784","2020-10-21","18:00:00",""
"1555621","17.814","0.0004","9.6903","0.0002","23.0455","0.0005","90","","90","","90","","3978.18","0.15","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N -","- C26 H23 N -","- C208 H184 N8 -","8","1","","Li, Nan; Lian, Xiao-Lei; Li, Yu-Hui; Wang, Tian-Yi; Han, Zhi-Yong; Zhang, Liming; Gong, Liu-Zhu","Gold-Catalyzed Direct Assembly of Aryl-Annulated Carbazoles from 2-Alkynyl Arylazides and Alkynes.","Organic letters","2016","18","17","4178","4181","10.1021/acs.orglett.6b01627","","","1.54184","CuKα","","0.0953","0.0725","","","0.1737","0.1929","","","","","","1.052","","","","has coordinates","238953","2020-10-21","18:00:00",""
"1555632","12.5299","0.0004","11.0917","0.0004","15.3671","0.0006","90","","90","","90","","2135.69","0.13","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","1","","Patzelt, Christoph; Pöthig, Alexander; Gulder, Tanja","Iodine(III)-Catalyzed Cascade Reactions Enabling a Direct Access to β-Lactams and α-Hydroxy-β-amino Acids.","Organic letters","2016","18","14","3466","3469","10.1021/acs.orglett.6b01658","","x-ray","0.71073","MoKα","","0.053","0.0399","","","0.0968","0.1045","","","","","","1.018","","","","has coordinates","238964","2020-10-21","18:00:00",""
"1555637","13.816","0.002","13.862","0.003","19.248","0.004","90","","90","","90","","3686.3","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","0.71075","MoKα","","0.0439","0.0394","","","0.1259","0.1324","","","","","","1.071","","","","has coordinates","238969","2020-10-21","18:00:00",""
"1555691","7.1372","0.0004","12.6521","0.0007","31.0391","0.0017","90","","90","","90","","2802.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","ThioBr2","","","- C9 H16 B Br2 P S -","- C9 H16 B Br2 P S -","- C72 H128 B8 Br16 P8 S8 -","8","1","","Imamoto, Tsuneo; Horiuchi, Yumi; Tamura, Ken; Sugiya, Masashi; Masu, Hyuma","Catalyst-Free and Regioconvergent Substitution Reactions of Bromothiophenes with a BH3-Substituted Phosphide Anion.","Organic letters","2016","18","16","4132","4135","10.1021/acs.orglett.6b02094","","","0.71073","MoKα","","0.0514","0.0335","","","0.0714","0.077","","","","","","1.024","","","","has coordinates","239021","2020-10-21","18:00:00",""
"1555714","16.057","0.003","36.163","0.007","40.408","0.008","90","","90","","90","","23464","8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C112 H114 N8 O8 -","- C112 H114 N8 O8 -","- C896 H912 N64 O64 -","8","1","","Jeon, Hae-Geun; Jang, Han Bit; Kang, Philjae; Choi, Ye Rin; Kim, Junyoung; Lee, Ji Hyun; Choi, Moon-Gun; Jeong, Kyu-Sung","Helical Aromatic Foldamers Functioning as a Fluorescence Turn-on Probe for Anions.","Organic letters","2016","18","17","4404","4407","10.1021/acs.orglett.6b02156","","","0.7","synchrotron","","0.1341","0.0733","","","0.1887","0.213","","","","","","0.958","","","","has coordinates,has disorder","239045","2020-10-21","18:00:00",""
"1555726","12.7082","0.0012","10.0795","0.0009","24.4296","0.0018","90","","90","","90","","3129.2","0.5","292.2","0.6","292.2","0.6","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Bantreil, Xavier; Bourderioux, Aurélie; Mateo, Pierre; Hagerman, Caroline E.; Selkti, Mohamed; Brachet, Etienne; Belmont, Philippe","Phosphine-Triggered Selectivity Switch in Silver-Catalyzed o-Alkynylbenzohydroxamic Acid Cycloisomerizations.","Organic letters","2016","18","19","4814","4817","10.1021/acs.orglett.6b02235","","x-ray","0.71073","MoKα","","0.0947","0.0592","","","0.1679","0.1879","","","","","","1.075","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1555807","10.6778","0.0012","15.1304","0.0017","20.376","0.002","90","","90","","90","","3291.9","0.6","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C152 H160 N16 O24 -","8","1","","Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan","Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation.","Organic letters","2016","18","19","5066","5069","10.1021/acs.orglett.6b02521","","","0.71073","MoKα","","0.0379","0.035","","","0.0972","0.0994","","","","","","1.076","","","","has coordinates,has disorder","239135","2020-10-21","18:00:00",""
"1555822","7.5079","0.0009","14.0053","0.0017","29.564","0.004","90","","90","","90","","3108.7","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Li, Deng Yuan; Jiang, Liang Liang; Chen, Shuang; Huang, Zheng Lu; Dang, Li; Wu, Xin Yan; Liu, Pei Nian","Cascade Reaction of Alkynols and 7-Oxabenzonorbornadienes Involving Transient Hemiketal Group Directed C-H Activation and Synergistic Rh<sup>III</sup>/Sc<sup>III</sup> Catalysis.","Organic letters","2016","18","19","5134","5137","10.1021/acs.orglett.6b02587","","","0.71073","MoKα","","0.0656","0.049","","","0.1201","0.1313","","","","","","1.037","","","","has coordinates","239150","2020-10-21","18:00:00",""
"1555848","14.9062","0.0006","8.6079","0.0005","17.2918","0.001","90","","90","","90","","2218.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C112 H112 O16 -","8","1","","Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen","Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization.","Organic letters","2016","18","19","5170","5173","10.1021/acs.orglett.6b02665","","","0.71073","MoKα","","0.1361","0.0889","","","0.2426","0.2934","","","","","","1.047","","","","has coordinates","239176","2020-10-21","18:00:00",""
"1555876","14.8765","0.0006","9.6372","0.0004","24.3534","0.0009","90","","90","","90","","3491.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SJY-005","","","- C19 H17 Br O2 S -","- C19 H17 Br O2 S -","- C152 H136 Br8 O16 S8 -","8","1","","Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho","Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes.","Organic letters","2016","18","20","5408","5411","10.1021/acs.orglett.6b02805","","","0.71073","","","0.0998","0.059","","","0.116","0.1343","","","","","","1.08","","","","has coordinates","239201","2020-10-21","18:00:00",""
"1555893","18.249","0.004","7.4323","0.0015","22.242","0.004","90","","90","","90","","3016.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N -","- C20 H17 Fe N -","- C160 H136 Fe8 N8 -","8","1","","Zhou, Shuguang; Wang, Mingyang; Wang, Lili; Chen, Kehao; Wang, Jinhu; Song, Chao; Zhu, Jin","Bidentate Directing-Enabled, Traceless Heterocycle Synthesis: Cobalt-Catalyzed Access to Isoquinolines.","Organic letters","2016","18","21","5632","5635","10.1021/acs.orglett.6b02870","","","1.54178","CuKα","","0.0432","0.0386","","","0.1069","0.1118","","","","","","1.067","","","","has coordinates","239218","2020-10-21","18:00:00",""
"1555917","8.7863","0.0004","19.6959","0.0008","19.81","0.0007","90","","90","","90","","3428.2","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C152 H208 N16 O8 -","8","1","","Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides.","Organic letters","2016","18","22","5924","5927","10.1021/acs.orglett.6b02999","","","1.54178","CuKα","","0.0614","0.0507","","","0.1404","0.1619","","","","","","1.091","","","","has coordinates","239242","2020-10-21","18:00:00",""
"1555982","15.792","0.003","12.08","0.003","19.334","0.004","90","","90","","90","","3688.3","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","","Hu, Ming; Zou, Hua-Xu; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng","Copper-Catalyzed C-H Oxidative Radical Functionalization and Annulation of Aniline-Linked 1,7-Enynes: Evidence for a 1,5-Hydride Shift Mechanism.","Organic letters","2016","18","24","6460","6463","10.1021/acs.orglett.6b03352","","","0.71073","MoKα","","0.0822","0.0556","","","0.1371","0.1612","","","","","","1.049","","","","has coordinates","239303","2020-10-21","18:00:00",""
"1556025","18.5446","0.001","17.7946","0.0009","18.9442","0.001","90","","90","","90","","6251.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H28 N2 O2 -","- C42 H28 N2 O2 -","- C336 H224 N16 O16 -","8","1","","Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling","Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions.","Organic letters","2017","19","7","1658","1661","10.1021/acs.orglett.7b00452","","x-ray","0.71073","MoKα","","0.0851","0.0537","","","0.1133","0.1301","","","","","","1.046","","","","has coordinates","239346","2020-10-21","18:00:00",""
"1556040","5.5413","0.0001","15.8031","0.0003","45.3572","0.001","90","","90","","90","","3971.92","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O4 S -","- C22 H26 O4 S -","- C176 H208 O32 S8 -","8","1","","Zhurakovskyi, Oleksandr; Ellis, Sam R.; Thompson, Amber L.; Robertson, Jeremy","Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl Lactone Ireland-Claisen Rearrangement and Transannular (4 + 3)-Cycloaddition of an Azatrimethylenemethane Diyl.","Organic letters","2017","19","8","2174","2177","10.1021/acs.orglett.7b00834","","","0.6889","synchrotron","","0.0456","0.0389","","0.1036","0.0908","0.1036","","","","","","0.9967","","","","has coordinates","239361","2020-10-21","18:00:00",""
"1556046","5.541","0.004","15.387","0.012","22.574","0.018","90","","90","","90","","1925","3","120","","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H6 O S2 -","- C12 H6 O S2 -","- C96 H48 O8 S16 -","8","1","","Mitsudo, Koichi; Kurimoto, Yuji; Mandai, Hiroki; Suga, Seiji","Synthesis of 3-Benzo[b]thienyl 3-Thienyl Ether via an Addition-Elimination Reaction and Its Transformation to an Oxygen-Fused Dithiophene Skeleton: Synthesis and Properties of Benzodithienofuran and Its π-Extended Derivatives.","Organic letters","2017","19","11","2821","2824","10.1021/acs.orglett.7b00969","","","0.71075","MoKα","","0.1429","0.1377","","","0.2094","0.2114","","","","","","1.581","","","","has coordinates","239367","2020-10-21","18:00:00",""
"1556047","8.0471","0.0004","16.3426","0.0008","29.6614","0.0017","90","","90","","90","","3900.8","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl N2 O Rh -","- C19 H26 Cl N2 O Rh -","- C152 H208 Cl8 N16 O8 Rh8 -","8","1","","Long, Zhen; Yang, Yudong; You, Jingsong","Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles.","Organic letters","2017","19","11","2781","2784","10.1021/acs.orglett.7b00982","","x-ray","1.54184","CuKα","","0.1071","0.097","","","0.2634","0.2881","","","","","","1.085","","","","has coordinates","239368","2020-10-21","18:00:00",""
"1556057","8.0739","0.0005","10.2485","0.0008","27.568","0.002","90","","90","","90","","2281.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers.","Organic letters","2017","19","13","3512","3515","10.1021/acs.orglett.7b01481","","","0.71073","MoKα","","0.0658","0.0454","","","0.0974","0.1075","","","","","","1.032","","","","has coordinates","239378","2020-10-21","18:00:00",""
"1556062","9.3826","0.0003","13.5881","0.0004","18.663","0.0005","90","","90","","90","","2379.38","0.12","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","1","","Takatori, Kazuhiko; Ota, Shoya; Tendo, Kenta; Matsunaga, Kazuma; Nagasawa, Kokoro; Watanabe, Shinya; Kishida, Atsushi; Kogen, Hiroshi; Nagaoka, Hiroto","Synthesis of Methylenebicyclo[3.2.1]octanol by a Sm(II)-Induced 1,2-Rearrangement Reaction with Ring Expansion of Methylenebicyclo[4.2.0]octanone.","Organic letters","2017","19","14","3763","3766","10.1021/acs.orglett.7b01604","","","1.54187","CuKα","","","0.0488","","","","0.126","","","","","","1.087","","","","has coordinates","239382","2020-10-21","18:00:00",""
"1556137","7.544","0.001","17.023","0.001","26.006","0.002","90","","90","","90","","3339.7","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 O3 P -","- C22 H13 O3 P -","- C176 H104 O24 P8 -","8","1","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71069","MoKα","","0.0617","0.0441","","","0.1147","0.1332","","","","","","1.087","","","","has coordinates","243495","2020-10-21","18:00:00",""
"1556155","15.6316","0.0011","14.9322","0.0011","15.632","","90","","90","","90","","3648.7","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N O Rh -","- C20 H21 Cl N O Rh -","- C160 H168 Cl8 N8 O8 Rh8 -","8","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Li, Yuanchao","Rhodium(III)-catalyzed intermolecular direct amidation of aldehyde C-H bonds with N-chloroamines at room temperature.","Organic letters","2013","15","12","2934","2937","10.1021/ol400921r","","","0.71073","MoKα","","0.089","0.042","","","0.0775","0.0904","","","","","","1.005","","","","has coordinates","243509","2020-10-21","18:00:00",""
"1556213","12.6783","0.0015","7.099","0.0007","23.032","0.002","90","","90","","90","","2073","0.4","200","1","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C104 H64 N16 O16 -","8","1","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","0.71073","MoKα","","0.1095","0.0735","","","0.1947","0.2257","","","","","","1.086","","","","has coordinates","243568","2020-10-21","18:00:00",""
"1556218","7.4941","0.0003","15.8862","0.0007","16.1019","0.0006","90","","90","","90","","1916.98","0.13","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","","de Robillard, Guillaume; Devillers, Charles H.; Kunz, Doris; Cattey, Hélène; Digard, Eric; Andrieu, Jacques","Electrosynthesis of imidazolium carboxylates.","Organic letters","2013","15","17","4410","4413","10.1021/ol401949f","","","0.71073","MoKα","","0.0696","0.0467","","","0.0968","0.1089","","","","","","1.102","","","","has coordinates","243572","2020-10-21","18:00:00",""
"1556255","10.504","0.009","12.325","0.012","21.276","0.019","90","","90","","90","","2754","4","293","2","293","2","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Das, Dipendu; Kant, Ruchir; Chakraborty, Tushar Kanti","An approach to a bislactone skeleton: a scalable total synthesis of (±)-penifulvin A.","Organic letters","2014","16","10","2618","2621","10.1021/ol500768w","","","0.71075","MoKα","","0.1288","0.1244","","","0.3384","0.3417","","","","","","1.141","","","","has coordinates","243601","2020-10-21","18:00:00",""
"1556258","15.64","0.002","15.55","0.002","20.474","0.003","90","","90","","90","","4979.3","1.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","froab01","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C216 H264 N8 O40 S8 -","8","1","","Bitar, Abdallah Y.; Frontier, Alison J.","Formal synthesis of (+/-)-roseophilin.","Organic letters","2009","11","1","49","52","10.1021/ol802329y","","","0.71073","MoKα","","0.0614","0.0419","","","0.1046","0.1164","","","","","","1.03","","","","has coordinates","243604","2020-10-21","18:00:00",""
"1556297","15.492","0.008","17.191","0.01","25.784","0.01","90","","90","","90","","6867","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cl4 Co N3 O2 -","- C28 H33 Cl4 Co N3 O2 -","- C224 H264 Cl32 Co8 N24 O16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","1.54178","CuKα","","0.3039","0.0972","","","0.201","0.2764","","","","","","0.85","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556300","17.148","0.004","20.564","0.004","22.319","0.004","90","","90","","90","","7870","3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Fe N3 S2 -","- C38 H37 Cl4 Fe N3 S2 -","- C304 H296 Cl32 Fe8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1875","0.075","","","0.1522","0.1874","","","","","","0.926","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556303","17.056","0.003","20.693","0.007","22.231","0.004","90","","90","","90","","7846","3","203","","203","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 Cl4 Mn N3 S2 -","- C38 H37 Cl4 Mn N3 S2 -","- C304 H296 Cl32 Mn8 N24 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1762","0.0746","","","0.1239","0.1495","","","","","","0.925","","","","has coordinates,has disorder","244205","2020-10-21","18:00:00",""
"1556304","17.54","0.003","20.405","0.004","22.23","0.004","90","","90","","90","","7956","3","203","","203","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H43 Br2 N3 Ni O S2 -","- C41 H43 Br2 N3 Ni O S2 -","- C328 H344 Br16 N24 Ni8 O8 S16 -","8","1","","Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series","Catalysis Science & Technology","2012","2","3","643","","10.1039/c2cy00448h","","","0.71073","MoKα","","0.1832","0.0786","","","0.1878","0.2168","","","","","","1.049","","","","has coordinates","244205","2020-10-21","18:00:00",""
"1556319","17.529","0.004","18.752","0.004","25.656","0.005","90","","90","","90","","8433","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H38 Cl2 N2 O Ti -","- C48 H38 Cl2 N2 O Ti -","- C384 H304 Cl16 N16 O8 Ti8 -","8","1","","Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl","Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates","Catalysis Science & Technology","2012","2","10","2090","","10.1039/c2cy20240a","","","0.71073","MoKα","","0.1428","0.1065","","","0.2577","0.2817","","","","","","1.153","","","","has coordinates","244212","2020-10-21","18:00:00",""
"1556331","15.4851","0.0003","12.3449","0.0002","33.0323","0.0006","90","","90","","90","","6314.5","0.2","140","1","140","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 5","","","- C60 H86 Cl4 N2 O6 V2 -","- C60 H86 Cl4 N2 O6 V2 -","- C240 H344 Cl16 N8 O24 V8 -","4","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.0867","0.0612","","","0.1045","0.1129","","","","","","1.199","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556386","9.2391","0.0003","17.1518","0.0006","22.2035","0.0006","90","","90","","90","","3518.53","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N -","- C21 H27 N -","- C168 H216 N8 -","8","1","","Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming","Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4","Org. Chem. Front.","2014","1","1","62","","10.1039/C3QO00006K","","","0.71073","MoKα","","0.0676","0.0479","","","0.1184","0.132","","","","","","1.026","","","","has coordinates","244429","2020-10-21","18:00:00",""
"1556404","15.3067","0.0009","12.1443","0.0007","18.1692","0.001","90","","90","","90","","3377.5","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","","Kuang, Jinqiang; Chen, Bo; Ma, Shengming","Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles","Org. Chem. Front.","2014","1","2","186","","10.1039/C4QO00007B","","","0.71073","MoKα","","0.068","0.0379","","","0.0804","0.0943","","","","","","1.026","","","","has coordinates","244781","2020-10-21","18:00:00",""
"1556421","16.0206","0.0003","24.7785","0.0005","16.9022","0.0004","90","","90","","90","","6709.6","0.2","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H47 Al N2 -","- C39 H47 Al N2 -","- C312 H376 Al8 N16 -","8","1","","Ito, S.; Tanaka, K.; Chujo, Y.","Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand","Inorganics","2019","7","","100","","10.3390/inorganics7080100","","","0.71075","MoKα","","0.0535","0.0428","","","0.1001","0.1055","","","","","","1.048","","","","has coordinates","244893","2020-10-21","18:00:00",""
"1556511","20.4142","0.0004","22.2202","0.0004","39.3523","0.0007","90","","90","","90","","17850.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H104 I4 Mg3 N6 -","- C90 H104 I4 Mg3 N6 -","- C720 H832 I32 Mg24 N48 -","8","1","","Vindus, D.; Niemeyer, M.","Hetero- and Homoleptic Magnesium Triazenides","Inorganics","2017","5","","33","","10.3390/inorganics5020033","","","0.71073","MoKα","","0.2154","0.0411","","","0.047","0.0665","","","","","","0.653","","","","has coordinates","244995","2020-10-21","18:00:00",""
"1556583","17.338","0.0016","18.0108","0.0017","22.317","0.002","90","","90","","90","","6969","1.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H58 Si8 -","- C22 H58 Si8 -","- C176 H464 Si64 -","8","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0251","0.0218","","","0.0583","0.0619","","","","","","1.051","","","","has coordinates","245203","2020-10-21","18:00:00",""
"1556591","22.6979","0.0012","20.6402","0.001","28.5118","0.0013","90","","90","","90","","13357.5","1.1","100","2","100","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H84 Cl2 F18 Ir2 K N6 O2 P3 -","- C54 H80 Cl2 F18 Ir2 K N6 O2 P3 -","- C432 H640 Cl16 F144 Ir16 K8 N48 O16 P24 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","1.54178","CuKα","","0.0486","0.0356","","","0.0835","0.0918","","","","","","1.038","","","","has coordinates,has disorder","245211","2020-10-21","18:00:00",""
"1556600","24.582","0.003","20.281","0.002","40.461","0.005","90","","90","","90","","20172","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C122.5 H108.5 Cu2 Fe O7 P6 -","- C980 H868 Cu16 Fe8 O56 P48 -","8","1","","Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali","Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight","Catalysis Science & Technology","2020","10","3","757","767","10.1039/C9CY02003A","","","0.71073","MoKα","","0.0809","0.053","","","0.1197","0.1398","","","","","","1.063","","","","has coordinates,has disorder","257224","2020-10-21","18:00:00",""
"1556614","11.3287","0.0013","17.976","0.002","46.325","0.005","90","","90","","90","","9433.8","1.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H76 Si11 -","- C32 H76 Si11 -","- C256 H608 Si88 -","8","1","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0482","0.0377","","","0.0793","0.0839","","","","","","1.099","","","","has coordinates","245251","2020-10-21","18:00:00",""
"1556643","10.5062","0.0008","17.5469","0.0013","36.649","0.003","90","","90","","90","","6756.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C272 H384 B16 Br8 P24 -","8","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0353","0.0294","","","0.0698","0.0727","","","","","","1.057","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556693","13.52","0.005","14.455","0.005","19.496","0.005","90","","90","","90","","3810","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pydicOIPh","Bis(2-iodophenyl)pyridine-2,6-dicarboxylate","","- C19 H11 I2 N O4 -","- C19 H11 I2 N O4 -","- C152 H88 I16 N8 O32 -","8","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1272","0.0329","","","0.0522","0.0671","","","","","","0.739","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556702","17.0353","0.0013","18.7759","0.0014","25.4659","0.0018","90","","90","","90","","8145.3","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","","- C42 H38 F4 N8 Ni O8 -","- C42 H38 F4 N8 Ni O8 -","- C336 H304 F32 N64 Ni8 O64 -","8","1","","Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir","Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate","IUCrData","2019","4","12","x191688","","10.1107/S2414314619016882","","","0.71073","MoKα","","0.0432","0.0347","","","0.0989","0.1094","","","","","","1.008","","","","has coordinates,has Fobs","245483","2020-10-21","18:00:00",""
"1556868","10.0358","0.0004","12.1076","0.0006","43.226","0.002","90","","90","","90","","5252.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 B O -","- C34 H31 B O -","- C272 H248 B8 O8 -","8","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0605","0.0542","","","0.1396","0.1484","","","","","","1.19","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1557062","13.1964","0.0002","13.3812","0.0002","16.7048","0.0003","90","","90","","90","","2949.79","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O S -","- C18 H15 N O S -","- C144 H120 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0365","0.0312","","","0.0875","0.0903","","","","","","1.059","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557068","12.2557","0.0002","9.5626","0.0002","21.5616","0.0004","90","","90","","90","","2526.94","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C128 H88 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0333","0.0303","","","0.0792","0.0822","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557131","6.0431","0.0002","13.3857","0.0004","14.3592","0.0004","90","","90","","90","","1161.53","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H5 D N2 -","- C6 H5 D N2 -","- C48 H40 D8 N16 -","8","1","","Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei","An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines","Chemical Science","2020","11","3","742","747","10.1039/C9SC05627K","","x-ray","1.54184","CuKα","","0.0746","0.0667","","","0.1497","0.1598","","","","","","1.099","","","","has coordinates","257419","2020-10-21","18:00:00",""
"1557180","8.459","0.001","10.552","0.002","22.823","0.003","90","","90","","90","","2037.2","0.5","","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H26 N4 S2 -","- C10 N2 S -","- C80 N16 S8 -","8","1","","Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari","Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes","Acta Chemica Scandinavica","1997","51","","462","469","10.3891/acta.chem.scand.51-0462","","x-ray","1.5418","CuKα","","","0.034","","","0.038","","","","","","","","","","","has coordinates","247343","2020-10-21","18:00:00",""
"1557290","11.2724","0.0005","6.279","0.0004","12.5272","0.0007","90","","90","","90","","886.67","0.08","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chlorotetrazine","","- C2 H Cl N4 -","- C2 H Cl N4 -","- C16 H8 Cl8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0768","0.0772","","","","","","1.096","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557294","12.7468","0.0005","5.60166","0.00019","12.9507","0.0004","90","","90","","90","","924.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-bromotetrazine","","- C2 H Br N4 -","- C2 H Br N4 -","- C16 H8 Br8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.0512","0.0516","","","","","","1.101","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557302","8.7438","0.0001","18.7561","0.0002","20.8005","0.0002","90","","90","","90","","3411.27","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C160 H144 N32 O16 -","8","1","WM4125","Powell, Gregory L.; Rix, Brad A.","5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","IUCrData","2020","5","2","x200121","","10.1107/S2414314620001212","","x-ray","1.54184","CuKα","","0.0455","0.0418","","","0.1086","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","248070","2020-10-21","18:00:00",""
"1557310","13.813","0.005","40.529","0.014","12.404","0.004","90","","90","","90","","6944","4","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(3L)Cl(bipy)].0.5H2O","","","- C16 H15 Cl Cu N5 O4.5 -","- C4 Cl Cu N3 O4.5 -","- C64 Cl16 Cu16 N48 O72 -","16","2","","Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio","Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study","Acta Chemica Scandinavica","1997","51","","1051","1057","10.3891/acta.chem.scand.51-1051","","x-ray","0.71073","MoKα","","","0.0685","","","0.114","","","","","","","0.757","","","","has coordinates","248079","2020-10-21","18:00:00",""
"1557324","9.733","0.004","23.332","0.004","8.963","0.001","90","","90","","90","","2035.4","0.9","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N'-bis(2-hydroxybenzyl)piperazine nitrate","","","- C18 H24 N4 O8 -","- C18 H4 N4 O8 -","- C72 H16 N16 O32 -","4","0.5","","Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari","Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex.","Acta Chemica Scandinavica","1997","51","","1162","1168","10.3891/acta.chem.scand.51-1162","","x-ray","0.71073","MoKα","","0.1393","0.0491","","","0.0963","0.2245","","","","","","0.985","","","","has coordinates","248228","2020-10-21","18:00:00",""
"1557348","6.48","0.007","14.84","0.009","26.79","0.02","90","","90","","90","","2576","4","","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trinitro nitronic ester","","","- C10 H12 N4 O8 -","- C10 N4 O8 -","- C80 N32 O64 -","8","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W.","Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters","Acta Chemica Scandinavica","1996","50","","29","47","10.3891/acta.chem.scand.50-0029","","x-ray","0.71069","MoKα","","","0.047","","","","0.097","","","","","","","","","","has coordinates","248317","2020-10-21","18:00:00",""
"1557357","10.2315","0.0019","22.51","0.004","31.197","0.006","90","","90","","90","","7185","2","100","1","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Cl2 N O P2 Ru S -","- C40 H39 Cl2 N O P2 Ru S -","- C320 H312 Cl16 N8 O8 P16 Ru8 S8 -","8","1","","Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F.","Engineering Catalysts for Selective Ester Hydrogenation","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.9b00559","","","0.71073","MoKα","","0.0394","0.0299","","","0.0698","0.0734","","","","","","1.167","","","","has coordinates","248352","2020-10-21","18:00:00",""
"1557366","8.304","0.002","15.842","0.003","33.4","0.008","90","","90","","90","","4393.8","1.7","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,8,11,14-tetrathia[9]helicene","","","- C30 H14 S4 -","- C30 S4 -","- C240 S32 -","8","1","","Larsen, Jan; Dolbecq, Anne; Bechgaard, Klaus","Thiaheterohelicenes. 3. Donor Properties of a Series of Benzene-Capped Thiaheterohelicenes. Structure of a Tetrathianonahelicene and its TCNQ Salt","Acta Chemica Scandinavica","1996","50","","83","89","10.3891/acta.chem.scand.50-0083","","x-ray","0.71069","MoKα","","","0.052","","","0.073","","","","","","","","","","","has coordinates","248368","2020-10-21","18:00:00",""
"1557436","18.02","0.001","18.742","0.001","19.74","0.001","90","","90","","90","","6666.8","0.6","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)","","- C30 H46 Br4 Mn N4 -","- C30 H46 Br4 Mn N4 -","- C240 H368 Br32 Mn8 N32 -","8","1","WM4124","Giltzau, Niels Ole; Köckerling, Martin","Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)","IUCrData","2020","5","3","","","10.1107/S2414314620002618","","","0.71073","MoKα","","0.041","0.0269","","","0.0581","0.0661","","","","","","1.207","","","","has coordinates,has Fobs","248737","2020-10-21","18:00:00",""
"1557452","24.13916","0.00017","18.9021","0.00013","26.08922","0.00018","90","","90","","90","","11904","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 Cl8 Ga2 N3 P -","- C54 H72 Cl8 Ga2 N3 P -","- C432 H576 Cl64 Ga16 N24 P8 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1232","0.1251","","","","","","1.03","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557518","9.4802","0.0003","14.9824","0.0007","18.6565","0.0007","90","","90","","90","","2649.9","0.18","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","HB4339","Lough, Alan J.; Pounder, Austin; Tam, William","12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene","IUCrData","2020","5","3","x200286","","10.1107/S2414314620002862","","","0.71073","MoKα","","0.0511","0.0382","","","0.0918","0.1006","","","","","","1.042","","","","has coordinates,has Fobs","249120","2020-10-21","18:00:00",""
"1557576","16.214","0.003","17.3","0.003","18.967","0.004","90","","90","","90","","5320.3","1.8","","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis(dibenzoylmethanate)dichlorotitanium(IV)","","","- C30 H22 Cl2 O4 Ti -","- C30 Cl2 O4 Ti -","- C240 Cl16 O32 Ti8 -","8","1","","Matilainen, Leena; Mutikainen, Ilpo; Leskela, Markku","Group 4 Metal Alkoxo Complexes as Catalysts for Olefin Polymerization: Synthesis and Crystal Structure of Bis(dibenzoylmethanate)dichlorotitanium(IV)","Acta Chemica Scandinavica","1996","50","","755","758","10.3891/acta.chem.scand.50-0755","","x-ray","0.71073","MoKα","","0.1742","0.0889","","","0.1821","0.2394","","","","","","0.918","","","","has coordinates","249279","2020-10-21","18:00:00",""
"1557662","11.5309","0.0004","7.674","0.0003","21.8978","0.0014","90","","90","","90","","1937.7","0.16","100.2","1","100.2","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 B N O3 -","- C9 H12 B N O3 -","- C72 H96 B8 N8 O24 -","8","1","","Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun","The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids.","The journal of physical chemistry. A","2020","","","","","10.1021/acs.jpca.9b11943","","x-ray","1.54184","CuKα","","0.0883","0.076","","","0.2048","0.2302","","","","","","1.0643","","","","has coordinates","249761","2020-10-21","18:00:00",""
"1557764","18.0482","0.0003","18.05071","0.00019","34.8012","0.0005","90","","90","","90","","11337.6","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H39 B F20 N2 -","- C64 H39 B F20 N2 -","- C512 H312 B8 F160 N16 -","8","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0453","0.0402","","","0.1068","0.1109","","","","","","1.046","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557788","8.3415","0.0004","10.1215","0.0004","25.9996","0.0012","90","","90","","90","","2195.11","0.17","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H14 I N2 O2 -","- C10 H14 I N2 O2 -","- C80 H112 I8 N16 O16 -","8","1","","Yang, Zhimin; Stein, Richard A.; Ngendahimana, Thacien; Pink, Maren; Rajca, Suchada; Jeschke, Gunnar; Eaton, Sandra S.; Eaton, Gareth R.; Mchaourab, Hassane S.; Rajca, Andrzej","Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins.","The journal of physical chemistry. B","2020","","","","","10.1021/acs.jpcb.0c00743","","","0.71073","MoKα","","0.0225","0.0172","","","0.0551","0.0694","","","","","","1.301","","","","has coordinates","250737","2020-10-21","18:00:00",""
"1557871","18.383","0.0016","13.3271","0.0012","20.1022","0.0018","90","","90","","90","","4924.9","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 Cl2 N O4 -","- C26 H25 Cl2 N O4 -","- C208 H200 Cl16 N8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0437","0.0384","","","0.1025","0.1076","","","","","","1.033","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557877","15.289","0.003","15.602","0.004","17.96","0.003","90","","90","","90","","4284.2","1.6","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-methy1-2,4,6-triphenylpyridinium perchlorate","","","- C24 H20 Cl N O4 -","- C24 Cl N O4 -","- C192 Cl8 N8 O32 -","8","1","","Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard","Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates","Acta Chemica Scandinavica","1995","49","","515","523","10.3891/acta.chem.scand.49-0515","","x-ray","1.5418","CuKα","","0.0886","0.0586","","","0.1565","0.1902","","","","","","","","","","has coordinates","251073","2020-10-21","18:00:00",""
"1557898","13.0883","0.0002","14.8329","0.0003","19.5325","0.0003","90","","90","","90","","3791.99","0.11","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution","Chemical Science","2020","11","19","5037","5042","10.1039/D0SC01572E","","x-ray","0.71073","MoKα","","0.0792","0.0623","","","0.1908","0.2051","","","","","","1.129","","","","has coordinates,has disorder","257329","2020-10-21","18:00:00",""
"1557907","16.4161","0.0009","12.4001","0.0008","25.3104","0.0017","90","","90","","90","","5152.2","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 N3 O2 -","- C29 H37 N3 O2 -","- C232 H296 N24 O16 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.094","0.0484","","","0.0932","0.1093","","","","","","1.017","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557920","18.922","0.004","21.706","0.004","8.512","0.004","90","","90","","90","","3496.1","1.9","","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate","","","- C10 H30 Cl4 N4 O2 -","- C10 Cl4 N4 O2 -","- C80 Cl32 N32 O16 -","8","1","","Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Sotofte, Inger","Synthesis and Crystal Structure of a Spiro Amine: 3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate","Acta Chemica Scandinavica","1995","49","","564","570","10.3891/acta.chem.scand.49-0564","","x-ray","0.71073","MoKα","","","0.056","","","0.049","","","","","","","1.12","","","","has coordinates","251188","2020-10-21","18:00:00",""
"1558022","13.3705","0.0002","7.2739","0.0001","31.8622","0.0005","90","","90","","90","","3098.78","0.08","170","2","170.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O6 S -","- C15 H19 N O6 S -","- C120 H152 N8 O48 S8 -","8","1","","Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min","Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies","Catalysis Science & Technology","2020","10","12","3959","3964","10.1039/D0CY00092B","","","1.34139","GaKα","","0.0351","0.0331","","","0.0861","0.0877","","","","","","1.069","","","","has coordinates","257222","2020-10-21","18:00:00",""
"1558040","13.843","0.0005","23.5705","0.0009","33.4177","0.0011","90","","90","","90","","10903.7","0.7","99.94","0.15","99.94","0.15","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H51 Cl3 F8 N2 O4 -","- C65 H51 Cl3 F8 N2 O4 -","- C520 H408 Cl24 F64 N16 O32 -","8","1","","Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo","Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes","Macromolecules","2020","53","10","3806","3813","10.1021/acs.macromol.0c00468","","x-ray","0.71073","MoKα","","0.1166","0.0874","","","0.1948","0.2125","","","","","","1.051","","","","has coordinates","257164","2020-10-21","18:00:00",""
"1558074","8.90063","0.00016","11.9803","0.0003","31.8099","0.0007","90","","90","","90","","3391.96","0.13","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N3 O6 Re -","- C15 H18 N3 O6 Re -","- C120 H144 N24 O48 Re8 -","8","1","","Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M.","N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols","Catalysis Science & Technology","2020","10","11","3782","3788","10.1039/D0CY00618A","","","0.71073","MoKα","","0.0402","0.0229","","","0.0403","0.0443","","","","","","1.028","","","","has coordinates","257219","2020-10-21","18:00:00",""
"1558099","17.8715","0.0003","22.5218","0.0004","24.946","0.0005","90","","90","","90","","10040.7","0.3","123","1","123","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H82 Co Li N2 O7 P4 -","- C43 H82 Co Li N2 O7 P4 -","- C344 H656 Co8 Li8 N16 O56 P32 -","8","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0503","0.0459","","","0.1223","0.1273","","","","","","1.066","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558259","15.1904","0.0002","15.2935","0.0003","23.3304","0.0004","90","","90","","90","","5419.99","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Co N4 O2 -","- C34 H26 Co N4 O2 -","- C272 H208 Co8 N32 O16 -","8","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0469","0.0355","","","0.0957","0.1006","","","","","","1.033","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558281","10.907","0.0008","18.8993","0.0014","21.6608","0.0015","90","","90","","90","","4465","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium bromide","","- C11 H13 Br N2 -","- C11 H13 Br N2 -","- C176 H208 Br16 N32 -","16","2","IM4007","Peppel, Tim; Wulf, Christoph; Spannenberg, Anke","1-Benzyl-3-methylimidazolium bromide","IUCrData","2020","5","6","","","10.1107/S2414314620007683","","","0.71073","MoKα","","0.0277","0.0203","","","0.0481","0.0509","","","","","","1.027","","","","has coordinates,has Fobs","253063","2020-10-21","18:00:00",""
"1558295","16.7522","0.0018","14.5415","0.0015","25.718","0.003","90","","90","","90","","6265","1.2","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Eu F6 N8 O6 P -","- C27 H26 Eu F6 N8 O6 P -","- C216 H208 Eu8 F48 N64 O48 P8 -","8","1","","Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo","Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2020","19","8","1054","1062","10.1039/d0pp00069h","","","0.71073","MoKα","","0.0283","0.0228","","","0.0534","0.0565","","","","","","1.026","","","","has coordinates","256184","2020-10-21","18:00:00",""
"1558327","10.1805","0.0007","22.3462","0.0015","31.76","0.002","90","","90","","90","","7225.3","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Ir N2 P2 -","- C38 H55 Ir N2 P2 -","- C304 H440 Ir8 N16 P16 -","8","1","","Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren","H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC02694H","","","0.71073","MoKα","","0.0534","0.0335","","","0.0609","0.068","","","","","","1.076","","","","has coordinates","253189","2020-10-21","18:00:00",""
"1558409","15.289","0.003","21.392","0.004","17.834","0.003","90","","90","","90","","5832.8","1.9","","","122","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(tacn-mu-N)(daes-mu2-N1,N2)Co(tacn)](ClO4.H2O)","","","- C16 H41 Cl3 Co2 N8 O13 S -","- C16 Cl3 Co2 N8 O13 S -","- C128 Cl24 Co16 N64 O104 S8 -","8","1","","Kofod, Pauli; Larsen, Erik; Larsen, Sine; Wang, Dong-Ni; Springborg, Johan; Paulsen, Gudrun B.","Syntheses in Aqueous Solution and Crystal Structure of a Triamido-Bridged Dicobalt(III) Complex with the Ligands 1,4,7-Triazacyclononane and 3-Thiapentane-1,5-diamine","Acta Chemica Scandinavica","1994","48","","283","289","10.3891/acta.chem.scand.48-0283","","x-ray","0.71069","MoKα","","","0.028","","","0.038","","","","","","","0.9","","","","has coordinates","253397","2020-10-21","18:00:00",""
"1558454","18.2569","0.0017","25.817","0.002","27.739","0.003","90","","90","","90","","13074","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H36 B F24 N4 Na -","- C72 H36 B F24 N4 Na -","- C576 H288 B8 F192 N32 Na8 -","8","1","","Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate","Symmetry of Three-Center, Four-Electron Bonds","Chemical Science","2020","","","","","10.1039/D0SC02076A","","x-ray","0.71073","MoKα","","0.145","0.1096","","","0.2315","0.25","","","","","","1.156","","","","has coordinates,has disorder","253586","2020-10-21","18:00:00",""
"1558490","26.2086","0.0008","27.5599","0.0008","28.9629","0.0008","90","","90","","90","","20920.1","1.1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C95 H104 B2 Cl2 Co2 F10 O12 P6 -","- C760 H832 B16 Cl16 Co16 F80 O96 P48 -","8","1","","Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias","Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines","Catalysis Science & Technology","2020","10","18","6116","6128","10.1039/D0CY01078B","","","1.54178","CuKα","","0.056","0.0509","","","0.1304","0.1345","","","","","","1.028","","","","has coordinates,has disorder","257217","2020-10-21","18:00:00",""
"1558503","20.351","0.003","14.773","0.003","9.3588","0.0014","90","","90","","90","","2813.7","0.8","","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Diethyl 1,2,3,4-Tetrathiepane-6,6-dicarboxylate","","","- C9 H14 O4 S4 -","- C9 O4 S4 -","- C72 O32 S32 -","8","1","","Larsen, Sine; Teuber, Lene","Crystal Structure of Diethyl 1,2,3,4-Tetrathiepane-6,6-dicarboxylate and Structural Aspects of S4-Containing Ring Systems","Acta Chemica Scandinavica","1994","48","","652","656","10.3891/acta.chem.scand.48-0652","","x-ray","1.54184","CuKα","","","0.06","","","0.087","","","","","","","2.2","","","","has coordinates","254018","2020-10-21","18:00:00",""
"1558511","11.7351","0.0011","15.9629","0.0019","21.44","0.003","90","","90","","90","","4016.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 B F4 Te -","- C19 H25 B F4 Te -","- C152 H200 B8 F32 Te8 -","8","1","","Zhou, Benyu; Gabbaï, François P.","Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties","Chemical Science","2020","","","","","10.1039/D0SC02872J","","x-ray","0.71073","MoKα","","0.0823","0.0669","","","0.168","0.1889","","","","","","1.075","","","","has coordinates,has disorder","254042","2020-10-21","18:00:00",""
"1558577","15.028","0.003","10.71","0.002","16.779","0.003","90","","90","","90","","2700.6","0.9","","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hydroxy cycloadduct","","","- C13 H13 N3 O7 -","- C13 N3 O7 -","- C104 N24 O56 -","8","1","","Calvert, Jane L.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.","Photochemical Nitration by Tetranitromethane. Part XXI. The Regiochemistry of Nitrito‒Trinitromethyl and Nitro‒Trinitromethyl Addition to 2,6-Dimethylnaphthalene","Acta Chemica Scandinavica","1994","48","","917","928","10.3891/acta.chem.scand.48-0917","","x-ray","0.71069","MoKα","","","0.073","","","","0.166","","","","","","","","","","has coordinates","254231","2020-10-21","18:00:00",""
"1558601","8.205","0.001","15.631","0.002","24.426","0.001","90","","90","","90","","3132.7","0.6","","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","[CrL1Cl]2","","","- C32 H36 Cl2 Cr2 N4 O4 -","- C32 Cl2 Cr2 N4 O4 -","- C128 Cl8 Cr8 N16 O16 -","4","0.5","","Bottcher, Arnd; Elias, Horst; Glerup, Jorgen; Neuburger, Markus; Olsen, Carl Erik; Springborg, Johan; Weihe, Hogni; Zehnder, Margareta","Synthesis, Structure and Magnetic Properties of Mono- and Dinuclear Chromium(III) Complexes with Tetrahydrosalen and Substituted Tetrahydrosalen Derivatives as Ligands. Crystal Structure of a Phenoxo-Bridged Dichromium(III) Complex","Acta Chemica Scandinavica","1994","48","","981","988","10.3891/acta.chem.scand.48-0981","","x-ray","1.5418","CuKα","","","0.0394","","","0.0431","","","","","","","","","","","has coordinates","254341","2020-10-21","18:00:00",""
"1558615","15.72214","0.00017","19.9433","0.0002","20.9335","0.0003","90","","90","","90","","6563.73","0.13","150","0.3","150","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H42 N4 O4 -","- C39 H42 N4 O4 -","- C312 H336 N32 O32 -","8","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.043","0.0366","","","0.0903","0.0948","","","","","","1.024","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558619","18.75","0.0002","15.8889","0.0002","27.5984","0.0003","90","","90","","90","","8222.03","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Os3(CO)8(PTA)4","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","","- C32 H48 N12 O8 Os3 P4 -","- C32 H48 N12 O8 Os3 P4 -","- C256 H384 N96 O64 Os24 P32 -","8","1","WM4135","Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L.","1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0)","IUCrData","2020","5","7","x200935","","10.1107/S2414314620009359","","","1.54184","CuKα","","0.039","0.0321","","","0.0743","0.0761","","","","","","1.141","","","","has coordinates,has disorder,has Fobs","254397","2020-10-21","18:00:00",""
"1558765","10.096","0.003","18.272","0.009","28.341","0.002","90","","90","","90","","5228","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B Cl N P2 Rh -","- C22 H42 B Cl N P2 Rh -","- C176 H336 B8 Cl8 N8 P16 Rh8 -","8","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.025","0.0226","","","0.0562","0.0578","","","","","","1.058","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558821","16.905","0.0016","18.2916","0.0017","24.694","0.002","90","","90","","90","","7635.9","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C92 H104 K2 O14 -","- C92 H104 K2 O14 -","- C368 H416 K8 O56 -","4","0.5","","Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12)","Chemical Science","2020","","","","","10.1039/D0SC03072D","","","0.71073","MoKα","","0.1086","0.0698","","","0.1308","0.1455","","","","","","1.089","","","","has coordinates,has disorder","255226","2020-10-21","18:00:00",""
"1558839","15.4998","0.0006","25.3392","0.0011","27.2058","0.0008","90","","90","","90","","10685.1","0.7","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Br6 N8 O6 Zn3 -","- C44 H48 Br6 N8 O6 Zn3 -","- C352 H384 Br48 N64 O48 Zn24 -","8","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.1292","0.0708","","","0.1452","0.1698","","","","","","1.052","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558894","25.6854","0.001","20.829","0.0009","40.6993","0.0018","90","","90","","90","","21774.2","1.6","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C112 H151 Cr2 N9 O6 P4 -","- C112 H150 Cr2 N9 O6 P4 -","- C896 H1200 Cr16 N72 O48 P32 -","8","1","","Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich","Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium","Chemical Science","2020","","","","","10.1039/D0SC03773G","","","0.71073","MoKα","","0.2201","0.0827","","","0.1721","0.2301","","","","","","0.979","","","","has coordinates","255569","2020-10-21","18:00:00",""
"1558951","7.959","0.005","8.972","0.001","18.59","0.006","90","","90","","90","","1327.5","0.9","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","trans-[PtCl2(1,4-thioxane)2]","","","- C8 H16 Cl2 O2 Pt S2 -","- C8 Cl2 O2 Pt S2 -","- C32 Cl8 O8 Pt4 S8 -","4","0.5","","Bugarcic, Zivadin; Lovqvist, Karin; Oskarsson, Ake","Cis‒Trans Influences in Pt Complexes. Crystal Structures of cis-[PtCl2(1,4-thioxane)2] and trans-[PtCl2(1,4-thioxane)2]","Acta Chemica Scandinavica","1993","47","","554","559","10.3891/acta.chem.scand.47-0554","","x-ray","0.71069","MoKα","","","0.031","","","0.038","","","","","","","1.22","","","","has coordinates","255779","2020-10-21","18:00:00",""
"1559044","8.939","0.004","10.618","0.0017","38.547","0.005","90","","90","","90","","3658.7","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl N2 Pd -","- C22 H19 Cl N2 Pd -","- C176 H152 Cl8 N16 Pd8 -","8","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0362","0.0361","","","0.1052","0.1053","","","","","","1.011","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559068","25.282","0.002","11.318","0.002","8.765","0.002","90","","90","","90","","2508","0.8","","","291","","","","","","","","","6","P b c a","-P 2ac 2ab","61","trans-Di(4-methylbenzenesulfonato)bis(1,3-diaminopropane)copper(II)","","","- C20 H34 Cu N4 O6 S2 -","- C20 Cu N4 O6 S2 -","- C80 Cu4 N16 O24 S8 -","4","0.5","","Sundberg, Markku R.; Sillanpaa, Reijo","Syn versus Anti Conformation in Monodentately Coordinated Sulfonate Groups. Crystal Structure Determination and MMX Force-Field Calculations for trans-Di(4-methylbenzenesulfonato)bis(1,3-diaminopropane)copper(II), C20H34CuN4O6S2","Acta Chemica Scandinavica","1993","47","","1173","1178","10.3891/acta.chem.scand.47-1173","","x-ray","0.71069","MoKα","","","0.05","","","0.048","","","","","","","","","","","has coordinates","256348","2020-10-21","18:00:00",""
"1559138","19.42866","0.00014","20.15442","0.00013","30.18361","0.00019","90","","90","","90","","11819.1","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C70.18 H76.7 B Cu N6 O -","- C70.175 H76.7 B Cu N6 O -","- C561.4 H613.6 B8 Cu8 N48 O8 -","8","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","1.54184","CuKα","","0.0398","0.0356","","","0.0948","0.0976","","","","","","1.041","","","","has coordinates,has disorder","256608","2020-10-21","18:00:00",""
"1559173","20.1829","0.0005","10.7314","0.0003","25.5707","0.0007","90","","90","","90","","5538.4","0.3","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Hradical","2-Hradical","","- C30.95 H39.55 N4 O2.33 -","- C30.954 H39.5516 N4 O2.3333 -","- C247.632 H316.413 N32 O18.6664 -","8","1","","Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L.","Persistent, highly localized, and tunable [4]helicene radicals","Chemical Science","2020","","","","","10.1039/D0SC04850J","","","1.34138","GaKα","","0.0906","0.0669","","","0.1402","0.1505","","","","","","1.095","","","","has coordinates,has disorder","256692","2020-10-21","18:00:00",""
"1559196","21.5143","0.0008","11.8302","0.0004","26.8208","0.0011","90","","90","","90","","6826.4","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Cl Ir N O7 P -","- C32 H52 Cl Ir N O7 P -","- C256 H416 Cl8 Ir8 N8 O56 P8 -","8","1","","Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden","Decarbonylative Ether Dissection by Iridium Pincer Complexes","Chemical Science","2020","","","","","10.1039/D0SC03736B","","","1.54178","CuKα","","0.0243","0.0241","","","0.0542","0.0543","","","","","","1.246","","","","has coordinates","256750","2020-10-21","18:00:00",""
"1559232","28.094","0.004","10.58","0.003","14.62","0.001","90","","90","","90","","4345.6","1.4","","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(tacn)(aeaps)](ClO4)3","","","- C11 H29 Cl3 Co N5 O12 S -","- C11 Cl3 Co N5 O12 S -","- C88 Cl24 Co8 N40 O96 S8 -","8","1","","Kofod, Pauli; Larsen, Erik; Larsen, Sine; Petersen, Carsten H.; Springborg, Johan; Wang, Dong-Ni","A Werner-Type Alkyl Cobalt(III) Compound: Formation of a Carbon‒Cobalt Bond Demonstrated by 13C, 59Co NMR and X-Ray Structure Determinations","Acta Chemica Scandinavica","1992","46","","841","853","10.3891/acta.chem.scand.46-0841","","x-ray","0.71073","MoKα","","","0.042","","","0.059","","","","","","","1.6","","","","has coordinates","256886","2020-10-21","18:00:00",""
"1559233","18.169","0.005","15.824","0.004","13.888","0.004","90","","90","","90","","3992.9","1.9","","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Co(tacn)(C-aeaps)](ClO4)2","","","- C11 H28 Cl2 Co N5 O8 S -","- C11 Cl2 Co N5 O8 S -","- C88 Cl16 Co8 N40 O64 S8 -","8","1","","Kofod, Pauli; Larsen, Erik; Larsen, Sine; Petersen, Carsten H.; Springborg, Johan; Wang, Dong-Ni","A Werner-Type Alkyl Cobalt(III) Compound: Formation of a Carbon‒Cobalt Bond Demonstrated by 13C, 59Co NMR and X-Ray Structure Determinations","Acta Chemica Scandinavica","1992","46","","841","853","10.3891/acta.chem.scand.46-0841","","x-ray","0.71073","MoKα","","","0.074","","","0.096","","","","","","","2.1","","","","has coordinates","256887","2020-10-21","18:00:00",""
"1559251","8.2696","0.0004","12.384","0.0007","27.8702","0.0013","90","","90","0.004","90","","2854.2","0.3","299.83","0.1","299.83","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H48 N4 -","- C30 H48 N4 -","- C120 H192 N16 -","4","0.5","","Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul","Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons","Chemical Science","2020","","","","","10.1039/D0SC03622F","","x-ray","0.71073","MoKα","","0.0797","0.0558","","","0.1408","0.1535","","","","","","1.026","","","","has coordinates","256967","2020-10-21","18:00:00",""
"1559258","11.188","0.001","17.106","0.004","16.226","0.003","90","","90","","90","","3105.4","1","","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Di-mu-hydroxo-bis[bis(dimethyl sulfoxide)platinum(II)] Trifluoromethanesulfonate Dihydrate","","","- C5 H15 F3 O7 Pt S3 -","- C5 F3 O7 Pt S3 -","- C40 F24 O56 Pt8 S24 -","8","1","","Ericson, Vivika; Lovqvist, Karin; Noren, Bertil; Oskarsson, Ake","Packing Effects on Molecular Geometries of Platinum Complexes. Synthesis and Crystal Structures of Di-mu-hydroxo-bis[bis(dimethyl sulfoxide)platinum(II)] Tetrafluoroborate and Di-mu-hydroxo-bis[bis(dimethyl sulfoxide)platinum(II)] Trifluoromethanesulfonate Dihydrate","Acta Chemica Scandinavica","1992","46","","854","860","10.3891/acta.chem.scand.46-0854","","x-ray","0.71069","MoKα","","","0.045","","","0.064","","","","","","","1.01","","","","has coordinates","257171","2020-10-21","18:00:00",""
"1559269","16.077","0.01","18.242","0.011","18.253","0.011","90","","90","","90","","5353","6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H44 B Ir P2 -","- C28 H44 B Ir P2 -","- C224 H352 B8 Ir8 P16 -","8","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene","Chemical Science","2020","","","","","10.1039/D0SC04748A","","","0.71073","MoKα","","0.0345","0.0218","","","0.0449","0.0486","","","","","","1.011","","","","has coordinates","257194","2020-10-21","18:00:00",""
"1559275","19.6105","0.0006","15.8275","0.0005","20.3903","0.0006","90","","90","","90","","6328.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N9 O6 -","- C29 H31 Co N9 O6 -","- C232 H248 Co8 N72 O48 -","8","1","","Mondal, Amit Kumar; Mondal, Arpan; Konar, Sanjit","Slow Magnetic Relaxation in a One-Dimensional Coordination Polymer Constructed from Hepta-Coordinate Cobalt(II) Nodes","Magnetochemistry","2020","6","4","45","","10.3390/magnetochemistry6040045","","","0.71073","MoKα","","0.0812","0.0607","","","0.1813","0.197","","","","","","1.095","","","","has coordinates","258173","2020-10-21","18:00:00",""
"1559281","20.0292","0.0016","18.4196","0.0014","22.4625","0.0016","90","","90","","90","","8287.1","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H48 F5 N5 Ni -","- C47 H48 F5 N5 Ni -","- C376 H384 F40 N40 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0968","0.05","","","0.124","0.1541","","","","","","1.035","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559283","20.0814","0.0016","18.4603","0.0014","22.7528","0.0018","90","","90","","90","","8434.7","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H49 F5 N4 Ni -","- C48 H49 F5 N4 Ni -","- C384 H392 F40 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0724","0.0463","","","0.1023","0.1166","","","","","","1.039","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559287","20.5349","0.001","18.6375","0.0009","22.7188","0.0012","90","","90","","90","","8694.9","0.8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 F6 N4 Ni -","- C48 H48 F6 N4 Ni -","- C384 H384 F48 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0815","0.0567","","","0.1233","0.1358","","","","","","1.09","","","","has coordinates,has disorder","258209","2020-10-21","18:00:00",""
"1559288","17.054","0.002","18.722","0.003","22.837","0.003","90","","90","","90","","7291.5","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 F2 N4 Ni -","- C42 H48 F2 N4 Ni -","- C336 H384 F16 N32 Ni8 -","8","1","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","","0.71073","MoKα","","0.0891","0.0576","","","0.1478","0.1766","","","","","","1.051","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559295","10.0517","0.0003","11.6821","0.0006","12.7352","0.0007","90","","90","","90","","1495.43","0.12","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","","Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N","The Simplest Diels-Alder Reactions Are Not Endo-Selective","Chemical Science","2020","","","","","10.1039/D0SC04553E","","","0.71073","MoKα","","0.0599","0.044","","0.1028","0.0961","0.1028","","","","","","1.0478","","","","has coordinates","258242","2020-10-21","18:00:00",""
"1559320","19.517","0.002","18.7959","0.0018","22.58","0.003","90","","90","","90","","8283.2","1.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(BDI)Nb(NtBu)(NHtBu)(CCtBu)","(3,3-diemethylbut-1-ynylyl)-(tert-butyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)","","- C43 H69 N4 Nb -","- C43 H69 N4 Nb -","- C344 H552 N32 Nb8 -","8","1","","Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes","Chemical Science","2020","","","","","10.1039/D0SC03489D","","","0.71073","MoKα","","0.0559","0.0447","","","0.0918","0.097","","","","","","1.051","","","","has coordinates","258285","2020-10-21","18:00:00",""
"1559365","19.212","0.0005","15.4949","0.0005","20.0978","0.0005","90","","90","","90","","5982.9","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H25 F6 N3 O8 -","- C30 H25 F6 N3 O8 -","- C240 H200 F48 N24 O64 -","8","1","","Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing","Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes","Chemical Science","2020","","","","","10.1039/D0SC04007J","","","0.71073","MoKα","","0.093","0.0561","","","0.1358","0.1645","","","","","","1.029","","","","has coordinates,has disorder","258436","2020-10-21","18:00:00",""
"1559390","15.62776","0.00016","16.52398","0.00016","18.67576","0.00019","90","","90","","90","","4822.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 B F4 N -","- C32 H22 B F4 N -","- C256 H176 B8 F32 N8 -","8","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0471","0.0402","","","0.1102","0.1153","","","","","","1.02","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559392","24.8883","0.0007","7.2668","0.0003","34.9364","0.0013","90","","90","","90","","6318.5","0.4","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O2 Si -","- C38 H34 N2 O2 Si -","- C304 H272 N16 O16 Si8 -","8","1","","Guo, Jinna; Feng, Weiqiang; Du, Peiyao; Zhang, Ruizhong; Liu, Jia; Liu, Yu; Wang, Zhiming; Lu, Xiaoquan","Aggregation-Induced Electrochemiluminescence of Tetraphenylbenzosilole Derivatives in an Aqueous Phase System for Ultrasensitive Detection of Hexavalent Chromium.","Analytical chemistry","2020","92","21","14838","14845","10.1021/acs.analchem.0c03709","","","0.71073","MoKα","","0.0805","0.0623","","","0.175","0.1898","","","","","","1.061","","","","has coordinates","258705","2020-11-04","01:18:52",""
"1559464","7.1801","0.0005","6.9197","0.0005","16.1154","0.0013","90","","90","","90","","800.68","0.1","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","PbS2O3","","","- O3 Pb S2 -","- O3 Pb S2 -","- O24 Pb8 S16 -","8","1","","Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.","The Crystal Structure of PbS2O3","Acta Chemica Scandinavica","1991","45","","469","473","10.3891/acta.chem.scand.45-0469","powder diffraction","neutron","1.5946","","","","","","","","","0.084","0.135","","","","","","","","has coordinates","258775","2020-11-06","09:08:00",""
"1559465","7.18","0.0001","6.9195","0.0001","16.1096","0.0002","90","","90","","90","","800.357","0.019","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","PbS2O3","","","- O3 Pb S2 -","- O3 Pb S2 -","- O24 Pb8 S16 -","8","1","","Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J.","The Crystal Structure of PbS2O3","Acta Chemica Scandinavica","1991","45","","469","473","10.3891/acta.chem.scand.45-0469","powder diffraction","x-ray","1.23234","","","","","","","","","","0.081","","","","","","","","has coordinates","258776","2020-11-06","09:08:13",""
"1559488","17.606","0.005","9.76","0.003","9.693","0.002","90","","90","","90","","1665.6","0.8","","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","endo,exo-7,8-dihydroxy-exo-7-methyl-","","","- C8 H12 O4 -","- C8 H12 O4 -","- C64 H96 O32 -","8","1","","Laihia, Katri; Rissanen, Kari; Kolehmainen, Erkki; Korvola, Jorma; Leskinen, Kari","Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one. Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray Diffraction and Molecular Mechanics Calculations","Acta Chemica Scandinavica","1991","45","","499","507","10.3891/acta.chem.scand.45-0499","","x-ray","0.71073","MoKα","","","0.063","","","0.061","","","","","","","1.11","","","","has coordinates","259050","2020-11-09","09:04:07",""
"1559517","11.959","0.004","20.235","0.013","13.747","0.005","90","","90","","90","","3327","3","","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Cd2[S2P(C2H5)2]4","","","- C16 H40 Cd2 P4 S8 -","- C16 Cd2 P4 S8 -","- C64 Cd8 P16 S32 -","4","0.5","","Svensson, Goran; Albertsson, Jorgen","On the Crystal Structure of Dithiophosphorus Compounds. The Crystal Structure of Pb[S2P(C2H5)2]2 at 293 K and Cd2[S2P(C2H5)2]4 at 173 K","Acta Chemica Scandinavica","1991","45","","820","827","10.3891/acta.chem.scand.45-0820","","x-ray","0.71069","MoKα","","","0.04","","","0.053","","","","","","","1.31","","","","has coordinates","259151","2020-11-16","09:56:08",""
"1559530","8.082","0.001","15.591","0.002","18.264","0.003","90","","90","","90","","2301.4","0.6","","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2,2-dibromo-1-phenylcyclopropyl)ethanoic acid","","","- C11 H10 Br2 O2 -","- C11 Br2 O2 -","- C88 Br16 O16 -","8","1","","Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian","Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes","Acta Chemica Scandinavica","1991","45","","902","913","10.3891/acta.chem.scand.45-0902","","x-ray","0.71069","MoKα","","","0.051","","","0.037","","","","","","","2.65","","","","has coordinates","259165","2020-11-18","10:29:29",""
"1559531","8.129","0.001","14.956","0.003","18.431","0.004","90","","90","","90","","2240.8","0.7","","","138","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(2,2-dichloro-1-phenylcyclopropyl)ethanoic acid","","","- C11 H10 Cl2 O2 -","- C11 Cl2 O2 -","- C88 Cl16 O16 -","8","1","","Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian","Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes","Acta Chemica Scandinavica","1991","45","","902","913","10.3891/acta.chem.scand.45-0902","","x-ray","0.71069","MoKα","","","0.052","","","0.047","","","","","","","1.52","","","","has coordinates","259166","2020-11-18","10:29:49",""
"1559532","9.263","0.002","11.423","0.002","20.091","0.003","90","","90","","90","","2125.9","0.7","","","138","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-bromomethyl-1,1-dichloro-2-phenylcyclopropane","","","- C10 H9 Br Cl2 -","- C10 Br Cl2 -","- C80 Br8 Cl16 -","8","1","","Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian","Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes","Acta Chemica Scandinavica","1991","45","","902","913","10.3891/acta.chem.scand.45-0902","","x-ray","0.71069","MoKα","","","0.048","","","0.05","","","","","","","1.81","","","","has coordinates","259167","2020-11-18","10:30:02",""
"1559557","20.0054","0.0014","24.0516","0.0017","27.5739","0.0019","90","","90","","90","","13267.5","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 O28 Si14 Zr2 -","- C96 H184 O28 Si14 Zr2 -","- C384 H736 O112 Si56 Zr8 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0536","0.0345","","","0.0775","0.0878","","","","","","1.022","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559558","18.563","0.004","22.017","0.004","26.445","0.005","90","","90","","90","","10808","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H156 Hf2 O28 Si14 -","- C68 H156 Hf2 O28 Si14 -","- C272 H624 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.1111","0.0503","","","0.107","0.1295","","","","","","0.999","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559559","20.061","0.004","24.064","0.005","27.568","0.005","90","","90","","90","","13308","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 Hf2 O28 Si14 -","- C96 H184 Hf2 O28 Si14 -","- C384 H736 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0341","0.0243","","","0.0558","0.0617","","","","","","1.066","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559587","18.4407","0.0004","23.6412","0.0005","21.238","0.0005","90","","90","","90","","9258.9","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H60 Au B N2 O -","- C54 H60 Au B N2 O -","- C432 H480 Au8 B8 N16 O8 -","8","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0482","0.0303","","","0.053","0.057","","","","","","1.021","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559639","21.3021","0.001","7.7181","0.0004","23.5444","0.0012","90","","90","","90","","3871","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0881","0.0549","","","0.1293","0.1547","","","","","","1.027","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559760","13.4226","0.0006","7.6316","0.0004","22.4832","0.0011","90","","90","","90","","2303.09","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0543","0.0413","","","0.0977","0.1046","","","","","","1.047","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559844","9.2496","0.0004","10.5381","0.0004","21.9181","0.0008","90","","90","","90","","2136.43","0.15","100","2","99.86","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 B P -","- C10 H20 B P -","- C80 H160 B8 P8 -","8","1","","Resendiz-Lara, Diego A.; Annibale, Vincent T.; Knights, Alastair W.; Chitnis, Saurabh S.; Manners, Ian","High Molar Mass Poly(alkylphosphinoboranes) via Iron-Catalyzed Dehydropolymerization","Macromolecules","2020","","","","","10.1021/acs.macromol.0c02082","","","0.71073","MoKα","","0.052","0.0387","","","0.099","0.1063","","","","","","1.043","","","","has coordinates","260072","2020-12-22","00:38:14",""
"1559845","21.6511","0.0004","21.3564","0.0004","22.0916","0.0004","90","","90","","90","","10214.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C189 H28 S10 Th2 -","- C189 H28 S10.008 Th2 -","- C756 H112 S40.032 Th8 -","4","0.5","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.0305","0.0289","","","0.0748","0.0761","","","","","","1.06","","","","has coordinates,has disorder","267091","2021-07-05","16:56:32",""
"1559849","4.9306","0.0001","15.7882","0.0005","21.0651","0.0006","90","","90","","90","","1639.82","0.08","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1-naphthalenemethanol","Naphthalen-1-ylmethanol","","- C11 H10 O -","- C11 H10 O -","- C88 H80 O8 -","8","1","HB4373","Nazarenko, Alexander Y.","Naphthalen-1-ylmethanol","IUCrData","2020","5","12","x201646","","10.1107/S2414314620016466","","","0.71073","MoKα","","0.0712","0.0505","","","0.1282","0.1438","","","","","","1.035","","","","has coordinates,has Fobs","260119","2020-12-23","06:30:58",""
"1559899","16.7736","0.0004","21.5283","0.0005","22.2754","0.0005","90","","90","","90","","8043.8","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C26 H44 N22 O4 S4 -","- C26 H44 N22 O4 S4 -","- C208 H352 N176 O32 S32 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0716","0.0658","","","0.1926","0.1973","","","","","","1.038","","","","has coordinates,has disorder","260352","2021-01-02","01:34:58",""
"1560004","16.455","0.0009","16.291","0.0008","22.0025","0.0012","90","","90","","90","","5898.2","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl3 N2 P3 Zr -","- C24 H38 Cl3 N2 P3 Zr -","- C192 H304 Cl24 N16 P24 Zr8 -","8","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0307","0.022","","","0.0503","0.054","","","","","","1.05","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560079","11.8585","0.0009","10.3783","0.0007","22.8559","0.0016","90","","90","","90","","2812.9","0.3","296","2","296.23","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C152 H96 F8 N8 O8 -","8","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.076","0.0459","","","0.1022","0.1179","","","","","","1.041","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560201","16.2129","0.0007","16.8046","0.0007","17.8201","0.0008","90","","90","","90","","4855.1","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Cl2 Cu N4 P3 -","- C15 H39 Cl2 Cu N4 P3 -","- C120 H312 Cl16 Cu8 N32 P24 -","8","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0222","0.0197","","","0.0516","0.0531","","","","","","1.056","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560221","20.20265","0.0001","16.84883","0.00009","20.7566","0.00009","90","","90","","90","","7065.36","0.06","120","1","120","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H43 Cl5 N P2 Ta -","- C33 H43 Cl5 N P2 Ta -","- C264 H344 Cl40 N8 P16 Ta8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0231","0.0196","","","0.0461","0.0476","","","","","","1.027","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560227","15.652","0.0007","16.072","0.0007","22.3038","0.0012","90","","90","","90","","5610.7","0.5","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 O3 P2 W -","- C29 H36 O3 P2 W -","- C232 H288 O24 P16 W8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1058","0.0678","","","0.1097","0.1252","","","","","","1.076","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560232","15.65317","0.00006","16.11165","0.00008","22.26048","0.00009","90","","90","","90","","5614.06","0.04","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Mo O3 P2 -","- C29 H36 Mo O3 P2 -","- C232 H288 Mo8 O24 P16 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0201","0.0192","","","0.0447","0.0451","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560389","15.2176","0.0005","18.6531","0.0005","26.4674","0.0007","90","","90","","90","","7512.9","0.4","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C35 H19 Cl3 Cu F12 N4 O4 -","- C35 H19 Cl3 Cu F12 N4 O4 -","- C280 H152 Cl24 Cu8 F96 N32 O32 -","8","1","","Toledo, Dominique; Vega, Andrés; Pizarro, Nancy; Baggio, Ricardo; Peña, Octavio; Roisnel, Thierry; Pivan, Jean-Yves; Moreno, Yanko","Comparitive study on structural, magnetic and spectroscopic properties of four new copper(II) coordination polymers with 4′-substituted terpyridine ligands","Journal of Solid State Chemistry","2017","253","","78","88","10.1016/j.jssc.2017.05.017","","x-ray","0.71073","MoKα","","0.0797","0.0615","","","0.1558","0.1736","","","","","","1.03","","","","has coordinates","261970","2021-02-15","11:08:14",""
"1560453","13.7835","0.0005","12.1638","0.0005","15.233","0.0008","90","","90","","90","","2553.96","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Ag N4 O4 -","- C9 H15 Ag N4 O4 -","- C72 H120 Ag8 N32 O32 -","8","1","","Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine","Journal of Solid State Chemistry","2017","251","","255","265","10.1016/j.jssc.2017.04.033","","","0.71073","MoKα","","0.0521","0.0321","","","0.0616","0.07","","","","","","1.018","","","","has coordinates","262038","2021-02-17","12:36:30",""
"1560480","11.9618","0.0003","16.8603","0.0004","23.0411","0.0006","90","","90","","90","","4646.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","n-Butyltin(IV) benzoate","","- C25 H24 O6 Sn -","- C25 H24 O6 Sn -","- C200 H192 O48 Sn8 -","8","1","","Wolzak, Lukas A.; Hermans, Joen J.; de Vries, Folkert; van den Berg, Keimpe J.; Reek, Joost N. H.; Tromp, Moniek; Korstanje, Ties J.","Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification","Catalysis Science & Technology","2021","11","10","3326","3332","10.1039/D1CY00184A","","","0.71073","MoKα","","0.0478","0.0277","","","0.0497","0.0553","","","","","","1.049","","","","has coordinates","265830","2021-06-05","17:10:18",""
"1560564","21.1821","0.0003","11.4983","0.0001","21.5878","0.0003","90","","90","","90","","5257.88","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H28 Ag2 N4 O7 S2 -","- C21 H28 Ag2 N4 O7 S2 -","- C168 H224 Ag16 N32 O56 S16 -","8","1","","Yeşilel, Okan Zafer; Karamahmut, Bingül; Semerci, Fatih; Darcan, Cihan; Yılmaz, Filiz","A series of silver(I) coordination polymers with saccarinate and flexible aliphatic diamines","Journal of Solid State Chemistry","2017","249","","174","188","10.1016/j.jssc.2017.01.022","","","0.71073","MoKα","","0.0862","0.0641","","","0.1517","0.1661","","","","","","1.037","","","","has coordinates","262150","2021-02-23","08:13:19",""
"1560683","8.2315","0.0005","8.5673","0.0005","22.5625","0.0012","90","","90","","90","","1591.15","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As4 Cl2 Mn7 O16 -","- As4 Cl2 Mn7 O16 -","- As16 Cl8 Mn28 O64 -","4","0.5","","Weil, Matthias; Kremer, Reinhard K.","Crystal growth and crystal structures of six novel phases in the Mn/As/O/Cl(Br) system, as well as magnetic properties of α -Mn 3 (AsO 4 ) 2","Journal of Solid State Chemistry","2017","245","","115","126","10.1016/j.jssc.2016.09.027","","","0.71073","MoKα","","0.0166","0.0156","","","0.0371","0.0375","","","","","","1.062","","","","has coordinates","262260","2021-02-26","10:15:23",""
"1560706","10.6982","0.0003","19.8473","0.0008","16.7642","0.0006","90","","90","","90","","3559.5","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","","- C19 H22 F N5 O -","- C19 H22 F N5 O -","- C152 H176 F8 N40 O8 -","8","1","BT4108","Andreev, Stanislav; Schollmeyer, Dieter; Koch, Pierre","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","IUCrData","2021","6","2","x210159","","10.1107/S2414314621001590","","","0.71073","MoKα","","0.1099","0.0689","","","0.1659","0.194","","","","","","1.141","","","","has coordinates,has Fobs","262301","2021-02-27","06:14:57",""
"1561022","14.392","0.006","27.158","0.011","28.376","0.011","90","","90","","90","","11091","8","293","2","293","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C42 H29 Ba2 Cu2 I Li2 N7 O15.5 -","- C42 H29 Ba2 Cu2 I Li2 N7 O15.5 -","- C336 H232 Ba16 Cu16 I8 Li16 N56 O124 -","8","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71073","MoKα","","0.0908","0.0749","","","0.1884","0.2077","","","","","","1.034","","","","has coordinates,has Fobs","263044","2021-03-15","09:16:09",""
"1561025","13.906","0.0002","14.3422","0.0002","37.8508","0.0005","90","","90","","90","","7549.06","0.18","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H48 Ca I2 N2 O7 Zn -","- C33 H48 Ca I2 N2 O7 Zn -","- C264 H384 Ca8 I16 N16 O56 Zn8 -","8","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0417","0.0353","","","0.089","0.0939","","","","","","1.057","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561092","19.2423","0.0012","10.9228","0.0005","26.3907","0.0012","90","","90","","90","","5546.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Br F3 -","- C31 H28 Br F3 -","- C248 H224 Br8 F24 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0974","0.0605","","","0.1241","0.1388","","","","","","1.062","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561096","23.7421","0.0008","21.8444","0.0006","8.6139","0.0002","90","","90","","90","","4467.4","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 B O -","- C27 H29 B O -","- C216 H232 B8 O8 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0551","0.0451","","","0.1163","0.1255","","","","","","1.077","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561218","14.932","0.003","17.072","0.003","21.282","0.004","90","","90","","90","","5425.2","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Co2 N3 O13.5 -","- C18 H13 Co2 N3 O8 -","- C144 H104 Co16 N24 O64 -","8","1","","Meng, Lingkun; Liu, Kang; Liang, Chen; Guo, Xiaolei; Han, Xu; Ren, Siyuan; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three 3D metal coordination polymers based on triazol-functionalized rigid ligand: Synthesis, topological structure and properties","Journal of Solid State Chemistry","2018","258","","56","63","10.1016/j.jssc.2017.09.023","","","0.71073","MoKα","","0.0433","0.0319","","","0.0725","0.0754","","","","","","1.069","","","","has coordinates","263256","2021-03-23","09:48:11",""
"1561271","13.086","0.003","10.706","0.002","19.48","0.004","90","","90","","90","","2729.1","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C128 H104 N24 O24 -","8","1","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0866","0.0538","","","0.1277","0.1455","","","","","","1.039","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561421","9.5095","0.0014","19.84","0.003","21.035","0.003","90","","90","","90","","3968.6","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N5 O5 S -","- C16 H17 Cd N5 O5 S -","- C128 H136 Cd8 N40 O40 S8 -","8","1","","Li, Zhao-Hao; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun","Assembly of 4-, 6- and 8-connected Cd(II) pseudo-polymorphic coordination polymers: Synthesis, solvent-dependent structural variation and properties","Journal of Solid State Chemistry","2016","240","","9","15","10.1016/j.jssc.2016.05.005","","","0.71073","MoKα","","0.0546","0.0299","","","0.0637","0.0749","","","","","","0.998","","","","has coordinates","263525","2021-04-01","08:53:56",""
"1561561","14.5952","0.0009","14.5216","0.0011","21.1317","0.0013","90","","90","","90","","4478.8","0.5","293.15","","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B Cd N10 O3 -","- C19 H22 B Cd N10 O3 -","- C152 H176 B8 Cd8 N80 O24 -","8","1","","Liu, Min; Zhang, De-Xiang; Chen, Shumei; Wen, Tian","Loading Ag nanoparticles on Cd(II) boron imidazolate framework for photocatalysis","Journal of Solid State Chemistry","2016","237","","32","35","10.1016/j.jssc.2016.01.016","","","0.71073","MoKα","","0.0785","0.0591","","","0.1331","0.1444","","","","","","1.112","","","","has coordinates","263976","2021-04-08","08:08:21",""
"1561604","10.8233","0.0006","13.2009","0.0007","22.2516","0.0012","90","","90","","90","","3179.2","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H12 As Mn N3 S4 -","- C10 H12 As Mn N3 S4 -","- C80 H96 As8 Mn8 N24 S32 -","8","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Tian, Ya-Wei; Xu, Jing; Bai, Yi-Qun; Wang, Fei; Zhou, Peng-Fei; Liu, Xiao-Fan; Yi, Fei-Yan","Unsaturated Mn complex decorated hybrid thioarsenates: Syntheses, crystal structures and physical properties","Journal of Solid State Chemistry","2016","235","","183","192","10.1016/j.jssc.2016.01.003","","","0.71073","MoKα","","0.0274","0.02","","","0.0442","0.0465","","","","","","1.029","","","","has coordinates","264010","2021-04-09","08:13:37",""
"1561635","8.1123","0.0004","15.8713","0.0009","27.6155","0.0014","90","","90","","90","","3555.6","0.3","120","0.1","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","","- C22 H20 O3 -","- C22 H20 O3 -","- C176 H160 O24 -","8","1","HB4378","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","IUCrData","2021","6","4","x210356","","10.1107/S2414314621003564","","x-ray","0.71073","MoKα","","0.0612","0.0402","","","0.0973","0.1065","","","","1.5413","1.5413","1.4369","","","","has coordinates,has Fobs","264040","2021-04-10","05:22:17",""
"1561639","15.257","0.003","9.9205","0.0007","23.3519","0.0013","90","","90","","90","","3534.5","0.8","107","2","107","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C168 H240 O24 -","8","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0567","0.05","","","0.1299","0.1364","","","","","","1.048","","","","has coordinates","264044","2021-04-11","00:53:29",""
"1561640","7.7751","0.0002","11.2883","0.0002","41.1933","0.001","90","","90","","90","","3615.44","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C168 H240 O24 -","8","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0628","0.058","","","0.1437","0.1466","","","","","","1.072","","","","has coordinates,has disorder","264044","2021-04-11","00:53:29",""
"1561698","10.005","0.003","7.833","0.002","19.18","0.005","90","","90","","90","","1503.1","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu O10 Re2 -","- C6 H16 Cu O10 Re2 -","- C24 H64 Cu4 O40 Re8 -","4","0.5","","Mikhailova, D.; Engel, J.M.; Schmidt, M.; Tsirlin, A.A.; Ehrenberg, H.","Copper(II) perrhenate Cu(C3H7OH)2(ReO4)2: Synthesis from isopropanol and CuReO4, structure and properties","Journal of Solid State Chemistry","2015","232","","264","269","10.1016/j.jssc.2015.08.042","","","0.71073","MoKα","","0.1303","0.0355","","","0.0338","0.0429","","","","","","0.803","","","","has coordinates","264093","2021-04-13","11:39:53",""
"1561733","11.869","0.002","15.672","0.003","26.173","0.005","90","","90","","90","","4868.5","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H28 Cu3 N3 O S3 W -","- C14 H28 Cu3 N3 O S3 W -","- C112 H224 Cu24 N24 O8 S24 W8 -","8","1","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0653","0.0543","","","0.1108","0.1164","","","","","","1.197","","","","has coordinates","264131","2021-04-14","08:40:07",""
"1561867","10.0021","0.0004","9.601","0.004","10.67","0.0004","90","","90","","90","","1024.6","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ga2 O5 Sr2 -","- Ga2 O5 Sr2 -","- Ga16 O40 Sr16 -","8","1","","Kahlenberg, Volker; Goettgens, Valerie; Mair, Philipp; Schmidmair, Daniela","High-pressure synthesis and crystal structures of the strontium oxogallates Sr2Ga2O5 and Sr5Ga6O14","Journal of Solid State Chemistry","2015","228","","27","35","10.1016/j.jssc.2015.04.016","","x-ray","0.71073","MoKα","","0.0263","0.0211","","","0.0503","0.0517","","","","","","1.166","","","","has coordinates","264251","2021-04-16","09:31:56",""
"1561887","12.708","0.0005","7.1786","0.0003","25.3307","0.001","90","","90","","90","","2310.81","0.16","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 O4 Zn -","- C14 H8 O4 Zn -","- C112 H64 O32 Zn8 -","8","1","","Wang, Yansong; Zhou, Zhimin","Utilization of mixed ligands to construct two new coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2015","228","","117","123","10.1016/j.jssc.2015.04.026","","","0.71073","MoKα","","0.035","0.0271","","","0.0658","0.0692","","","","","","1.061","","","","has coordinates","264292","2021-04-19","07:12:30",""
"1561966","7.2438","0.0003","10.0815","0.0004","49.0616","0.0017","90","","90","","90","","3582.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Li3 O25 W7 -","- As Li3 O25 W7 -","- As8 Li24 O200 W56 -","8","1","","Zhao, Pei; Mangir Murshed, M.; Huq, Ashfia; Grossmann, Henrike K.; Mädler, Lutz; Alekseev, Evgeny V.; Gesing, Thorsten M.","Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization","Journal of Solid State Chemistry","2015","226","","81","87","10.1016/j.jssc.2015.02.009","","","0.71073","MoKα","","0.0825","0.0552","","","0.133","0.1433","","","","","","1.141","","","","has coordinates","264371","2021-04-21","09:44:27",""
"1562068","15.122","0.002","9.3656","0.0014","20.29","0.003","90","","90","","90","","2873.6","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H7 Eu O11 -","- C12 H7 Eu O11 -","- C96 H56 Eu8 O88 -","8","1","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.0386","0.0237","","","0.0608","0.0669","","","","","","0.715","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562069","15.0789","0.0015","9.2997","0.0009","20.287","0.002","90","","90","","90","","2844.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H7 O11 Tb -","- C12 H7 O11 Tb -","- C96 H56 O88 Tb8 -","8","1","","Greig, Natalie E.; Einkauf, Jeffrey D.; Clark, Jessica M.; Corcoran, Eric J.; Karram, Joseph P.; Kent, Charles A.; Eugene, Vadine E.; Chan, Benny C.; de Lill, Daniel T.","Luminescent lanthanide coordination polymers synthesized via in-situ hydrolysis of dimethyl-3,4-furandicarboxylate","Journal of Solid State Chemistry","2015","225","","402","409","10.1016/j.jssc.2015.01.014","","","0.71073","MoKα","","0.053","0.0298","","","0.0577","0.0619","","","","","","1.028","","","","has coordinates","264522","2021-04-26","06:58:49",""
"1562079","11.9116","0.0006","16.5708","0.0008","21.2554","0.001","90","","90","","90","","4195.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl N4 O2 Zn -","- C23 H17 Cl N4 O2 Zn -","- C184 H136 Cl8 N32 O16 Zn8 -","8","1","","Kuai, Hai-Wei; Lv, Gao-Chao; Hou, Chao; Sun, Wei-Yin","Anion-controlled assembly of metal 3,5-bis(benzimidazol-1-ylmethyl) benzoate complexes: Synthesis, characterization and property","Journal of Solid State Chemistry","2015","223","","2","16","10.1016/j.jssc.2014.02.028","","","0.71073","MoKα","","0.0463","0.0335","","","0.0881","0.0948","","","","","","1.044","","","","has coordinates","264525","2021-04-26","07:24:59",""
"1562199","9.6198","0.0002","14.8828","0.0003","26.3832","0.0005","90","","90","","90","","3777.27","0.13","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H24 Ag2 N2 O6 S -","- C15 H24 Ag2 N2 O6 S -","- C120 H192 Ag16 N16 O48 S8 -","8","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Yeşilöz, Yeşim; Şahin, Onur","One- and three-dimensional silver(I)-5-sulfosalicylate coordination polymers having ligand-supported and unsupported argentophilic interactions","Journal of Solid State Chemistry","2014","220","","70","78","10.1016/j.jssc.2014.08.009","","","0.71073","MoKα","","0.1066","0.0509","","","0.1076","0.1357","","","","","","1.018","","","","has coordinates,has disorder","264627","2021-04-28","07:49:37",""
"1562208","11.2342","0.0003","18.4569","0.0007","19.1299","0.0006","90","","90","","90","","3966.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N3 Na O6 Zn -","- C18 H18 N3 Na O6 Zn -","- C144 H144 N24 Na8 O48 Zn8 -","8","1","","Zhang, Shu-Hua; Zhao, Ru-Xiao; Li, Gui; Zhang, Hai-Yang; Huang, Qiu-Ping; Liang, Fu-Pei","Room temperature syntheses, crystal structures and properties of two new heterometallic polymers based on 3-ethoxy-2-hydroxybenzaldehyde ligand","Journal of Solid State Chemistry","2014","220","","206","212","10.1016/j.jssc.2014.08.032","","","0.71073","MoKα","","0.0552","0.0382","","","0.0825","0.0903","","","","","","1.04","","","","has coordinates","264636","2021-04-28","09:24:31",""
"1562273","8.234","","9.655","","17.805","","90","","90","","90","","1415.48","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B Cu2 H3 O10 P2 -","- B Cu2 H3 O10 P2 -","- B8 Cu16 H24 O80 P16 -","8","1","","Zhao, Long; Liu, Wei; Ma, Xiaohong; Cao, Lixin; Su, Ge; Lu, Zhisheng","The molten hydrated flux synthesis of a novel open-framework copper borophosphate and its structural relation with the precursors","Journal of Solid State Chemistry","2014","218","","10","14","10.1016/j.jssc.2014.06.008","","","0.71073","MoKα","","0.0701","0.0391","","","0.0705","0.0789","","","","","","1.088","","","","has coordinates","264690","2021-04-29","08:54:35",""
"1562298","17.998","0.0005","9.6252","0.0002","20.8083","0.0005","90","","90","","90","","3604.71","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","1","","Pooler, Daisy Rose Sherwood; Pierron, Robin; Crespi, Stefano; Costil, Romain; Pfeifer, Lukas; Léonard, Jérémie; Olivucci, Massimo; Feringa, Ben L.","Effect of charge-transfer enhancement on the efficiency and rotary mechanism of an oxindole-based molecular motor","Chemical Science","2021","","","","","10.1039/D1SC01105G","","","1.54178","CuKα","","0.0518","0.039","","","0.0926","0.1005","","","","","","1.031","","","","has coordinates","264709","2021-04-30","00:59:42",""
"1562325","12.77","0.005","9.622","0.004","17.956","0.007","90","","90","","90","","2206.3","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Uranium monophosphonate di(hydrogenphosphonate) monoaqua dihydrate","","- H11 O12 P3 U -","- O11.5 P3 U -","- O92 P24 U8 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0964","0.0502","","","0.1134","0.1321","","","","","","1.125","","","","has coordinates","264724","2021-04-30","09:13:09",""
"1562326","11.073","0.002","9.2876","0.0017","14.916","0.003","90","","90","","90","","1534","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dithallium dihydrogen disphosphate","","- H2 O7 P2 Tl2 -","- O7 P2 Tl2 -","- O56 P16 Tl16 -","8","1","","Oh, George N.; Burns, Peter C.","Solid-state actinide acid phosphites from phosphorous acid melts","Journal of Solid State Chemistry","2014","215","","50","56","10.1016/j.jssc.2014.03.029","","","0.71073","MoKα","","0.0493","0.0333","","","0.0532","0.0589","","","","","","0.995","","","","has coordinates","264724","2021-04-30","09:13:10",""
"1562352","12.736","0.0007","5.824","0.0003","22.5026","0.0013","90","","90","","90","","1669.12","0.16","173","2","173.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 F6 O2 -","- C18 H16 F6 O2 -","- C72 H64 F24 O8 -","4","0.5","","Lv, Jinghuang; Chen, Si; Xu, Zhenchuang; Zhang, Siquan; Li, Ya; Zhao, Yanchuan","Synthesis and Characterization of Diastereoisomeric Polyesters Derived from Bisphenols Bearing Vicinal Trifluoromethyl Groups","Macromolecules","2021","54","8","3716","3724","10.1021/acs.macromol.0c02762","","","1.34139","GaKα","","0.1165","0.0945","","","0.2571","0.286","","","","","","1.062","","","","has coordinates","264812","2021-05-04","00:32:25",""
"1562398","19.2454","0.0007","28.1544","0.0012","29.7705","0.001","90","","90","","90","","16130.9","1.1","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C95.25 H84.87 B4 N9.62 -","- C95.248 H84.872 B4 N9.624 -","- C761.984 H678.976 B32 N76.992 -","8","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.1349","0.0687","","","0.1662","0.2177","","","","","","1.011","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562416","14.212","0.003","6.005","0.001","23.945","0.003","90","","90","","90","","2043.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl-2,2'-bithienyl-5-carboxylate","","- C10 H8 O2 S2 -","- C10 H8 O2 S2 -","- C80 H64 O16 S16 -","8","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0481","0.0458","","","0.1266","0.1294","","","","","","1.071","","","","has coordinates,has disorder","270453","2021-11-06","20:10:37",""
"1562441","12.0144","0.0019","21.218","0.003","27.968","0.004","90","","90","","90","","7129.6","1.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H30 Cd N4 O7 S -","- C31 H30 Cd N4 O7 S -","- C248 H240 Cd8 N32 O56 S8 -","8","1","","Bisht, Kamal Kumar; Rachuri, Yadagiri; Parmar, Bhavesh; Suresh, Eringathodi","Mixed ligand coordination polymers with flexible bis-imidazole linker and angular sulfonyldibenzoate: Crystal structure, photoluminescence and photocatalytic activity","Journal of Solid State Chemistry","2014","213","","43","51","10.1016/j.jssc.2014.02.007","","","0.71073","MoKα","","0.1015","0.0775","","","0.1442","0.1549","","","","","","1.185","","","","has coordinates,has disorder","265063","2021-05-10","06:50:01",""
"1562473","9.7029","0.0004","13.367","0.0006","20.7482","0.0008","90","","90","","90","","2691.01","0.19","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Layered Bismuth Sulfate","","","- C6 H14 Bi N3 O11 S2 -","- C6 H14 Bi N3 O11 S2 -","- C48 H112 Bi8 N24 O88 S16 -","8","1","","Marri, Subba R.; Behera, J.N.","Synthesis, structure and photoluminescence properties of amine-templated open-framework bismuth sulfates","Journal of Solid State Chemistry","2014","210","1","15","21","10.1016/j.jssc.2013.10.032","","","0.71073","MoKα","","0.0273","0.0215","","","0.0531","0.0555","","","","","","1.054","","","","has coordinates","265089","2021-05-11","07:43:39",""
"1562592","16.435","0.003","9.0777","0.0018","24.428","0.005","90","","90","","90","","3644.5","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Co3 O18 -","- C12 H16 Co3 O18 -","- C96 H128 Co24 O144 -","8","1","","Liu, Sui-Jun; Zeng, Yong-Fei; Hu, Xin; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang","Five new Mn(II)/Co(II) coordination polymers constructed from flexible multicarboxylate ligands with varying magnetic properties","Journal of Solid State Chemistry","2013","204","","197","204","10.1016/j.jssc.2013.05.027","","","0.71073","MoKα","","0.0459","0.0378","","","0.0898","0.0936","","","","","","1.107","","","","has coordinates","265269","2021-05-17","08:06:05",""
"1562677","17.6424","0.0002","7.7315","0.0001","19.1592","0.0002","90","","90","","90","","2613.36","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Br3 N2 Pb -","- C7 H12 Br3 N2 Pb -","- C56 H96 Br24 N16 Pb8 -","8","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.105","0.106","","","","","","1.067","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562759","9.531","0.005","10.433","0.005","13.355","0.007","90","","90","","90","","1328","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Cs Cu2 S3 -","- As Cs Cu2 S3 -","- As8 Cs8 Cu16 S24 -","8","1","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Synthesis, structure and characterization of two new copper(І)-thioarsenates (ІІІ) constructed by the [AsS3]3− and CuSx units","Journal of Solid State Chemistry","2013","198","","289","294","10.1016/j.jssc.2012.08.039","","","0.71073","MoKα","","0.0408","0.0354","","","0.0885","0.0913","","","","","","1.022","","","","has coordinates","265403","2021-05-21","07:15:10",""
"1562877","17.477","0.0016","9.26","0.0008","20.7917","0.0019","90","","90","","90","","3364.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cd N4 O2 -","- C20 H12 Cd N4 O2 -","- C160 H96 Cd8 N32 O16 -","8","1","","Fan, Rui-Qing; Wang, Li-Yuan; Wang, Ping; Chen, Hong; Sun, Cun-fa; Yang, Yu-Lin; Su, Qing","Syntheses, structures and luminescent properties of zero-/two-dimensional Cd(II) and Eu(III) complexes","Journal of Solid State Chemistry","2012","196","","332","340","10.1016/j.jssc.2012.06.018","","","0.71073","MoKα","","0.0529","0.0376","","","0.0859","0.0933","","","","","","1.048","","","","has coordinates","265503","2021-05-26","08:37:42",""
"1562951","11.9058","0.0007","8.9589","0.0006","15.019","0.0009","90","","90","","90","","1601.97","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di(aqua)bis(pyridine)(fumarato)cobalt(II)","","- C14 H16 Co N2 O6 -","- C14 H16 Co N2 O6 -","- C56 H64 Co4 N8 O24 -","4","0.5","","Bora, Sanchay J.; Das, Birinchi K.","Synthesis and properties of a few 1-D cobaltous fumarates","Journal of Solid State Chemistry","2012","192","","93","101","10.1016/j.jssc.2012.03.009","","","0.71073","MoKα","","0.0318","0.0276","","","0.0739","0.0768","","","","","","1.104","","","","has coordinates","265580","2021-05-28","09:28:06",""
"1563092","28.1451","0.0014","28.482","0.0015","36.1611","0.0009","90","","90","","90","","28988","2","104","7","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cr7NiF8(O2CBu)16](ImCH2NH2(CH2)2C6H5)[Cu(O2C5HF6)2OCCH3]","","- C102 H162.41 Cr8 Cu F20 N3 O36.2 -","- C102 H162.378 Cr8 Cu F20 N3 O36.189 -","- C816 H1299.02 Cr64 Cu8 F160 N24 O289.512 -","8","1","","Lockyer, Selena; Chiesa, Alessandro; Timco, Grigore A.; Bennett, Thomas M.; Vitorica-Yrzebal, Inigo; McInnes, Eric J. L.; Carretta, Stefano; Winpenny, Richard E. P.","Targeting Molecular Quantum Memory with Embedded Error Correction","Chemical Science","2021","","","","","10.1039/D1SC01506K","","","1.54184","CuKα","","0.1015","0.0779","","","0.2275","0.2469","","","","","","1.116","","","","has coordinates,has disorder","265687","2021-06-03","01:09:28",""
"1563095","13.3284","0.0005","17.4801","0.0006","18.5447","0.0007","90","","90","","90","","4320.6","0.3","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Ge2 N6 S6 Sb2 -","- C6 H24 Ge2 N6 S6 Sb2 -","- C48 H192 Ge16 N48 S48 Sb16 -","8","1","","Powell, Anthony V.; Mackay, Rosalyn","Solvothermal synthesis of a bimetallic thiometallate containing germanium in two oxidation states","Journal of Solid State Chemistry","2011","184","12","3144","3149","10.1016/j.jssc.2011.09.032","","","0.71073","MoKα","","0.0372","0.0313","","0.0384","0.0347","0.0347","","","","","","0.9105","","","","has coordinates","265703","2021-06-03","07:19:08",""
"1563164","8.306","0.0001","15.1608","0.0002","22.8838","0.0003","90","","90","","90","","2881.66","0.06","294","3","294","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 O3 S -","- C18 H12 O3 S -","- C144 H96 O24 S8 -","8","1","","Chen, Junru; Chen, Xiaojie; Liu, Yanyan; Li, Yang; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","A color-tunable single-component luminescent molecule with multiple emission centers","Chemical Science","2021","","","","","10.1039/D1SC02094C","","x-ray","1.54184","CuKα","","0.0563","0.054","","","0.1348","0.1379","","","","","","1.084","","","","has coordinates","265818","2021-06-05","01:23:58",""
"1563319","15.5999","0.0004","7.8848","0.0003","25.8551","0.0008","90","","90","","90","","3180.23","0.18","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","SIT_100_150K","","","- C18 H18 Cl N O2 Os -","- C18 H18 Cl N O2 Os -","- C144 H144 Cl8 N8 O16 Os8 -","8","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0344","0.0213","","","0.0386","0.0424","","","","","","1.016","","","","has coordinates","266372","2021-06-11","01:02:14",""
"1563339","7.0849","0.0019","11.986","0.003","13.913","0.004","90","","90","","90","","1181.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Silver uranyl hydrogen tellurate","","","- Ag O7 Te U -","- Ag O7 Te U -","- Ag8 O56 Te8 U8 -","8","1","","Ling, Jie; Ward, Matthew; Burns, Peter C.","Hydrothermal syntheses and structures of the uranyl tellurates AgUO2(HTeO5) and Pb2UO2(TeO6)","Journal of Solid State Chemistry","2011","184","2","401","404","10.1016/j.jssc.2010.12.007","","","0.71073","MoKα","","0.0627","0.0404","","","0.0935","0.103","","","","","","1.02","","","","has coordinates","266394","2021-06-11","07:18:03",""
"1563346","17.818","0.004","17.818","","23.674","0.006","90","","90","","90","","7516","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N7 O15 Tb -","- C34 H34 N7 O15 Tb -","- C272 H272 N56 O120 Tb8 -","8","1","","Wang, Qing; Yan, Xuhuan; Zhang, Hongrui; Liu, Weisheng; Tang, Yu; Tan, Minyu","Crystal structures and luminescent properties of lanthanide nitrate coordination polymers with structurally related amide type bridging podands","Journal of Solid State Chemistry","2011","184","1","164","170","10.1016/j.jssc.2010.11.011","","","0.71073","MoKα","","0.0604","0.0304","","","0.0613","0.0727","","","","","","1.002","","","","has coordinates","266399","2021-06-11","07:53:50",""
"1563412","6.9422","0.0009","18.635","0.002","29.823","0.003","90","","90","","90","","3858.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C176 H216 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1247","0.0686","","","0.1574","0.1931","","","","","","1.03","","","","has coordinates","268627","2021-09-06","10:08:49",""
"1563497","17.1819","0.0002","13.6931","0.0001","21.4826","0.0002","90","","90","","90","","5054.29","0.08","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H18 N O23 U4 V3 -","- C4 N O23 U4 V3 -","- C32 N8 O184 U32 V24 -","8","1","","Jouffret, Laurent; Shao, Zhenmian; Rivenet, Murielle; Abraham, Francis","New three-dimensional inorganic frameworks based on the uranophane-type sheet in monoamine templated uranyl-vanadates","Journal of Solid State Chemistry","2010","183","10","2290","2297","10.1016/j.jssc.2010.07.035","","","0.71069","MoKα","","0.0816","0.0394","","","0.033","0.0375","","","","1.33","1.33","1.17","","","","has coordinates","266470","2021-06-15","08:24:10",""
"1563675","15.594","0.007","12.835","0.007","8.557","0.004","90","","90","","90","","1712.7","1.5","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H11 F5 -","- C8 H11 F5 -","- C64 H88 F40 -","8","1","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","0.71075","MoKα","","0.0684","0.0515","","","0.1316","0.1381","","","","","","0.955","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563759","20.0164","0.0007","30.0399","0.0005","36.915","0.0016","90","","90","","90","","22196.6","1.3","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","diiron(II) helicate of ditopic 4-imidazole-triazole ligand","Iron(II) helicate of 1,3-Bis(5-(1H-imidazol-4-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)benzene","","- C72 H84 B4 F16 Fe2 N30 -","- C72 H84 B4 F16 Fe2 N30 -","- C576 H672 B32 F128 Fe16 N240 -","8","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.1224","0.0795","","","0.2127","0.2399","","","","","","0.999","","","","has coordinates,has disorder","266758","2021-06-29","01:34:33",""
"1563786","14.6293","0.0003","15.6671","0.0003","17.3579","0.0003","90","","90","","90","","3978.41","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H24 Mn2 N2 O14 S -","- C11 H24 Mn2 N2 O14 S -","- C88 H192 Mn16 N16 O112 S8 -","8","1","","Zhang, Ying; Lin, Longzhen; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Organically templated metal sulfate-oxalates: Solvent-free synthesis, crystal structure, and proton conduction","Journal of Solid State Chemistry","2019","276","","1","5","10.1016/j.jssc.2019.04.031","","x-ray","1.54184","CuKα","","0.0583","0.0521","","","0.1408","0.1478","","","","","","1.023","","","","has coordinates,has disorder","266801","2021-06-30","07:08:41",""
"1563819","8.0175","0.0002","14.4611","0.0003","18.5612","0.0004","90","","90","","90","","2152.02","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","XU4044","Abou, Akoun; Bamba, Fanté; Marrot, Jérôme; Yaya, Soro; Coustard, Jean-Marie","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","IUCrData","2021","6","6","x210674","","10.1107/S241431462100674X","","","0.71073","MoKα","","0.0534","0.0414","","","0.113","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","266845","2021-07-01","05:29:24",""
"1563868","17.0179","0.0016","18.63","0.002","38.286","0.009","90","","90","","90","","12138","3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C81 H76 -","- C81 H76 -","- C648 H608 -","8","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","1.54184","CuKα","","0.1683","0.099","","","0.2441","0.2878","","","","","","1.06","","","","has coordinates,has disorder","266881","2021-07-02","01:04:16",""
"1563922","7.589","0.005","16.983","0.01","33.58","0.02","90","","90","","90","","4328","5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 Ru -","- C26 H22 O6 Ru -","- C208 H176 O48 Ru8 -","8","1","","Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar","Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone","Inorganica Chimica Acta","2018","483","","343","351","10.1016/j.ica.2018.08.047","","","0.7107","MoKα","","0.0725","0.0572","","","0.1084","0.1169","","","","","","1.111","","","","has coordinates","266986","2021-07-05","08:41:15",""
"1563923","7.8763","0.0005","16.3099","0.0015","33.9368","0.0018","90","","90","","90","","4359.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O5 Ru -","- C26 H23 N O5 Ru -","- C208 H184 N8 O40 Ru8 -","8","1","","Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar","Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone","Inorganica Chimica Acta","2018","483","","343","351","10.1016/j.ica.2018.08.047","","","0.71073","MoKα","","0.0978","0.0501","","","0.0954","0.1203","","","","","","1.057","","","","has coordinates","266987","2021-07-05","08:42:47",""
"1563933","10.1493","0.0007","8.2568","0.0007","21.3201","0.0013","90","","90","","90","","1786.6","0.2","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 I N2 -","- C9 H7 I N2 -","- C72 H56 I8 N16 -","8","1","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0559","0.0472","","","0.1213","0.1289","","","","","","1.079","","","","has coordinates","266993","2021-07-05","10:14:46",""
"1564104","16.627","0.006","18.03","0.007","21.293","0.008","90","","90","","90","","6383","4","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","","- C32 H24 B N10 Ni O4 -","- C32 H25 B N10 Ni O4 -","- C256 H200 B8 N80 Ni8 O32 -","8","1","BV4040","Salerno, Elvin V.; Kadel, Lava R.; Eichhorn, David M.","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","IUCrData","2021","6","7","x210690","","10.1107/S2414314621006908","","x-ray","0.71073","MoKα","","0.0868","0.0479","","","0.1229","0.1464","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","267459","2021-07-10","04:52:59",""
"1564112","14.1963","0.0009","13.9701","0.0009","25.9354","0.0018","90","","90","","90","","5143.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 B6 O2 Ru2 -","- C20 H42 B6 O2 Ru2 -","- C160 H336 B48 O16 Ru16 -","8","1","","Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal","Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study","Inorganica Chimica Acta","2020","512","","119898","","10.1016/j.ica.2020.119898","","","0.71073","MoKα","","0.0971","0.078","","","0.1151","0.1209","","","","","","1.225","","","","has coordinates","267488","2021-07-13","07:22:17",""
"1564243","12.0479","0.0005","18.5786","0.0009","24.7785","0.0012","90","","90","","90","","5546.2","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-(3-Formyl-1,2-diphenyl-1H-indole-4,5-diyl)dibenzamide","","- C35 H25 N3 O3 -","- C35 H25 N3 O3 -","- C280 H200 N24 O24 -","8","1","","Devkota, Shreedhar; Kim, Suyeon; Yoo, Seok Yeol; Mohandoss, Sonaimuthu; Baik, Mu-Hyun; Lee, Yong Rok","Ruthenium(II)-catalyzed regioselective direct C4‒ and C5‒diamidation of indoles and mechanistic studies","Chemical Science","2021","","","","","10.1039/D1SC02138A","","","0.71073","MoKα","","0.0597","0.0497","","","0.125","0.1322","","","","","","1.04","","","","has coordinates","267711","2021-07-23","01:58:46",""
"1564247","9.667","0.002","15.857","0.005","42.991","0.008","90","","90","","90","","6590","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H32 O2 -","- C47 H32 O2 -","- C376 H256 O16 -","8","1","","Xiao, Fuming; Liu, Xiaoqing; Lin, Kangkang; Zhou, Yunbing; Gao, Wenxia; Lei, Yunxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Pyranone‒Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04340","","","0.71073","MoKα","","0.1715","0.0604","","","0.1323","0.1909","","","","","","1.018","","","","has coordinates","267726","2021-07-23","23:44:48",""
"1564268","26.815","0.004","27.671","0.003","29.647","0.004","90","","90","","90","","21998","5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C138 H114 Cu2 N4 O4 -","- C138 H114 Cu2 N4 O4 -","- C1104 H912 Cu16 N32 O32 -","8","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0649","0.0462","","","0.1082","0.1192","","","","","","1.027","","","","has coordinates,has disorder","267840","2021-07-31","01:49:49",""
"1564336","12.1901","0.0007","10.4424","0.0006","26.468","0.0016","90","","90","","90","","3369.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 F N Si -","- C20 H20 F N Si -","- C160 H160 F8 N8 Si8 -","8","1","","Xu, Yankun; Xu, Weiwei; Chen, Xinyang; Luo, Xiai; Lu, Haiyan; Zhang, Minghao; Yang, Xiumei; Deng, Guobo; Liang, Yun; Yang, Yuan","Me3SiSiMe2(OnBu): a disilane reagent for the synthesis of diverse silacycles via Brook- and retro-Brook-type rearrangement","Chemical Science","2021","","","","","10.1039/D1SC03487A","","","0.71073","MoKα","","0.0552","0.0409","","","0.1054","0.1122","","","","","","1.051","","","","has coordinates","267999","2021-08-09","22:31:59",""
"1564426","10.468","0.003","14.359","0.004","20.227","0.005","90","","90","","90","","3040.3","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cu N6 O8 -","- C12 H8 Cu N6 O8 -","- C96 H64 Cu8 N48 O64 -","8","1","","Bikas, Rahman; Valadbeigi, Younes; Otręba, Marta; Lis, Tadeusz","Mechanistic studies on the in-situ generation of furoxan ring during the formation of Cu(II) coordination compound from dioxime ligand: Theoretical and experimental study","Inorganica Chimica Acta","2020","510","","119756","","10.1016/j.ica.2020.119756","","","0.71073","MoKα","","0.0449","0.0378","","","0.1097","0.1127","","","","","","1.099","","","","has coordinates,has disorder","268253","2021-08-26","09:03:23",""
"1564452","16.9363","0.0017","14.7356","0.0015","24.274","0.003","90","","90","","90","","6058","1.1","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Cl2 Mn2 N18 O10 -","- C62 H54 Cl2 Mn2 N18 O10 -","- C248 H216 Cl8 Mn8 N72 O40 -","4","0.5","","Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro","Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand","Inorganica Chimica Acta","2020","509","","119688","","10.1016/j.ica.2020.119688","","","0.71075","MoKα","","0.0496","0.046","","","0.1226","0.1265","","","","","","1.06","","","","has coordinates","268298","2021-08-30","11:19:11",""
"1564469","17.6596","0.0006","15.2619","0.0005","22.6001","0.0011","90","","90","","90","","6091.2","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Cl2 F2 Ir N4 O2 -","- C32 H25 Cl2 F2 Ir N4 O2 -","- C256 H200 Cl16 F16 Ir8 N32 O16 -","8","1","","Liu, Zhuo; Yang, Rui-Lian; Yang, Xiao-Han; Cao, Jing-Lan; Fan, Xu-Ru; Wu, Shui-Xing; Niu, Zhi-Gang; Li, Gao-Nan","New yellow-emitting iridium(III) complexes containing 2-phenyl-2H-indazole-based ligands for high efficient OLEDs with EQE over 25%","Inorganica Chimica Acta","2020","509","","119704","","10.1016/j.ica.2020.119704","","","0.71073","MoKα","","0.1486","0.0828","","","0.2219","0.2548","","","","","","0.999","","","","has coordinates","268313","2021-08-31","07:39:49",""
"1564502","7.625","0.004","16.759","0.008","32.601","0.016","90","","90","","90","","4166","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl2 N7 O6 Zn -","- C14 H19 Cl2 N7 O6 Zn -","- C112 H152 Cl16 N56 O48 Zn8 -","8","1","","Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman","Synthesis, structure and biological activity of zinc(II) pincer complexes with 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine","Inorganica Chimica Acta","2020","508","","119627","","10.1016/j.ica.2020.119627","","","0.71073","MoKα","","0.0373","0.0322","","","0.0928","0.0971","","","","","","1.044","","","","has coordinates,has disorder","268346","2021-09-01","08:21:18",""
"1564506","10.2854","0.0017","39.205","0.006","11.94","0.002","90","","90","","90","","4814.7","1.4","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cu N8 O2 -","- C26 H22 Cu N8 O2 -","- C208 H176 Cu8 N64 O16 -","8","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.1536","0.0641","","","0.1269","0.1712","","","","","","1.025","","","","has coordinates","268348","2021-09-01","08:33:20",""
"1564537","15.18382","0.00011","13.64566","0.00009","16.30646","0.0001","90","","90","","90","","3378.59","0.04","300","0.1","300","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl2 Ir2 -","- C16 H24 Cl2 Ir2 -","- C128 H192 Cl16 Ir16 -","8","1","","Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna","Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.","The journal of physical chemistry. A","2021","125","34","7473","7488","10.1021/acs.jpca.1c05759","","x-ray","0.6889","synchrotron","","0.0235","0.0211","","","0.0661","0.0682","","","","","","0.9526","","","","has coordinates","268460","2021-09-04","01:10:41",""
"1564547","18.6012","0.0003","18.278","0.0003","29.0427","0.0006","90","","90","","90","","9874.3","0.3","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H81 N O19 Si V6 -","- C31 H81 N O19 Si V6 -","- C248 H648 N8 O152 Si8 V48 -","8","1","","Chakraborty, Sourav; Schreiber, Eric; Sanchez-Lievanos, Karla R.; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.; Matson, Ellen M.","Modelling local structural and electronic consequences of proton and hydrogen-atom uptake in VO2 with polyoxovanadate clusters","Chemical Science","2021","","","","","10.1039/D1SC02809J","","x-ray","1.54184","CuKα","","0.0822","0.0619","","","0.1761","0.2044","","","","","","1.094","","","","has coordinates,has disorder","268977","2021-09-06","22:12:06",""
"1564584","23.0878","0.001","26.4673","0.0014","27.3749","0.0014","90","","90","","90","","16728","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H110 N5 O16 Tb Zn2 -","- C76 H110 N5 O16 Tb Zn2 -","- C608 H880 N40 O128 Tb8 Zn16 -","8","1","","Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.","Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes","Inorganica Chimica Acta","2020","508","","119643","","10.1016/j.ica.2020.119643","","","0.71073","MoKα","","0.0751","0.0475","","","0.1077","0.1294","","","","","","1.154","","","","has coordinates,has disorder","269023","2021-09-07","09:35:23",""
"1564632","17.0836","0.0005","15.8683","0.0005","17.8681","0.0004","90","","90","","90","","4843.8","0.2","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H23 N3 Ni O5 -","- C25 H23 N3 Ni O5 -","- C200 H184 N24 Ni8 O40 -","8","1","","Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume","Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities","Inorganica Chimica Acta","2020","508","","119656","","10.1016/j.ica.2020.119656","","","0.71073","MoKα","","0.121","0.0525","","","0.1032","0.1266","","","","","","1.001","","","","has coordinates","269129","2021-09-14","09:05:01",""
"1564637","18.3966","0.0006","21.9565","0.0007","22.9636","0.0007","90","","90","","90","","9275.6","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H61 F9 P2 Pd Si -","- C47 H61 F8.9997 P2 Pd Si -","- C376 H488 F71.9976 P16 Pd8 Si8 -","8","1","","Hurst, Michael R.; Zakharov, Lev N.; Cook, Amanda K.","The mechanism of oxidative addition of Pd(0) to Si‒H bonds: electronic effects, reaction mechanism, and hydrosilylation","Chemical Science","2021","","","","","10.1039/D1SC04419B","","","1.54178","CuKα","","0.0314","0.0274","","","0.069","0.0715","","","","","","1.033","","","","has coordinates,has disorder","269133","2021-09-14","22:10:17",""
"1564731","7.575","0.001","12.2799","0.0016","18.784","0.003","90","","90","","90","","1747.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SnImaltol","SnImaltol","","- C6 H5 I O3 Sn -","- C6 H5 I O3 Sn -","- C48 H40 I8 O24 Sn8 -","8","1","","Hu, Shuaifeng; Truong, Minh Anh; Otsuka, Kento; Handa, Taketo; Yamada, Takumi; Nishikubo, Ryosuke; Iwasaki, Yasuko; Saeki, Akinori; Murdey, Richard; Kanemitsu, Yoshihiko; Wakamiya, Atsushi","Mixed lead‒tin perovskite films with >7 μs charge carrier lifetimes realized by maltol post-treatment","Chemical Science","2021","","","","","10.1039/D1SC04221A","","","0.71073","MoKα","","0.0174","0.017","","","0.0347","0.0348","","","","","","1.351","","","","has coordinates","269325","2021-09-27","22:09:43",""
"1564765","14.2641","0.0003","19.0639","0.0004","22.615","0.0005","90","","90","","90","","6149.7","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Pd2 -","- C56 H76 Cl8 N4 Pd2 -","- C224 H304 Cl32 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0411","0.0286","","","0.0567","0.0628","","","","","","1.075","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564767","14.6417","0.0004","19.3275","0.0006","22.4789","0.0007","90","","90","","90","","6361.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Br4 Cl4 N4 Pd2 -","- C56 H76 Br4 Cl4 N4 Pd2 -","- C224 H304 Br16 Cl16 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0371","0.0304","","","0.0809","0.0849","","","","","","1.037","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564859","9.036","0.005","13.639","0.007","27.171","0.013","90","","90","","90","","3349","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 N3 O7 W -","- C9 H29 N3 O7 W -","- C72 H232 N24 O56 W8 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0351","0.026","","","0.0569","0.0607","","","","","","1.006","","","","has coordinates","269824","2021-10-07","07:25:05",""
"1564860","9.0217","0.0011","13.6776","0.0016","27.105","0.003","90","","90","","90","","3344.6","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H29 Mo N3 O7 -","- C9 H29 Mo N3 O7 -","- C72 H232 Mo8 N24 O56 -","8","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.0426","0.0337","","","0.0821","0.0895","","","","","","1.042","","","","has coordinates","269825","2021-10-07","07:26:06",""
"1564925","27.8964","0.0002","22.2004","0.0001","29.7016","0.0002","90","","90","","90","","18394.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H20 Al2 As2 F72 Mo4 O16 Sb2 -","- C60 H20 Al2 As2 F72 Mo4 O16 Sb2 -","- C480 H160 Al16 As16 F576 Mo32 O128 Sb16 -","8","1","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","x-ray","0.71073","MoKα","","0.0436","0.0325","","","0.0786","0.0831","","","","","","1.031","","","","has coordinates,has disorder","269952","2021-10-14","22:14:07",""
"1564958","13.5519","0.0008","19.3693","0.001","22.7518","0.0013","90","","90","","90","","5972.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[FeII(14-S~4~)(MeCN)2]FeI4","","","- C16 H29 Fe2 I4 N3 S4 -","- C16 H29 Fe2 I4 N3 S4 -","- C128 H232 Fe16 I32 N24 S32 -","8","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0381","0.0259","","","0.0507","0.0541","","","","","","1.066","","","","has coordinates","275781","2022-06-06","01:45:46",""
"1565033","17.8371","0.0008","16.1543","0.0008","22.5723","0.0011","90","","90","","90","","6504.1","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H45 Cl N4 O4 -","- C36 H45 Cl N4 O4 -","- C288 H360 Cl8 N32 O32 -","8","1","","Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.","Exciplex formation as an approach to selective Copper(II) fluorescent sensors","Inorganica Chimica Acta","2020","506","","119544","","10.1016/j.ica.2020.119544","","x-ray","0.71073","MoKα","","0.0585","0.0393","","","0.0924","0.1056","","","","","","1.051","","","","has coordinates","270055","2021-10-21","08:09:13",""
"1565068","17.3541","0.0004","20.334","0.0005","45.6601","0.0019","90","","90","","90","","16112.5","0.9","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H102 Al2 N4 O5 Re -","- C76 H102 Al2 N4 O5 Re -","- C608 H816 Al16 N32 O40 Re8 -","8","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","1.54184","CuKα","","0.0741","0.0535","","","0.1482","0.1669","","","","","","1.039","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565072","45.706","0.002","17.2177","0.0017","20.3938","0.0017","90","","90","","90","","16049","2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80.5 H115 Al2 N4 O5 Re -","- C80.5 H115 Al2 N4 O5 Re -","- C644 H920 Al16 N32 O40 Re8 -","8","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","0.71073","MoKα","","0.1069","0.0766","","","0.1503","0.1662","","","","","","1.15","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565166","11.295","0.0008","25.1086","0.0018","39.682","0.003","90","","90","","90","","11253.9","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Sm2 -","- C132 H92 N18 O19 Sm2 -","- C528 H368 N72 O76 Sm8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0453","0.0315","","","0.0733","0.0802","","","","","","1.013","","","","has coordinates","270569","2021-11-10","10:25:39",""
"1565167","11.2768","0.0011","25.121","0.003","39.622","0.004","90","","90","","90","","11224","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Eu2 N18 O19 -","- C132 H92 Eu2 N18 O19 -","- C528 H368 Eu8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.0775","0.0403","","","0.0879","0.1046","","","","","","0.987","","","","has coordinates","270570","2021-11-10","10:26:56",""
"1565168","11.2588","0.0013","25.123","0.003","39.559","0.004","90","","90","","90","","11189","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 Gd2 N18 O19 -","- C132 H92 Gd2 N18 O19 -","- C528 H368 Gd8 N72 O76 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1152","0.0563","","","0.0991","0.1178","","","","","","1.001","","","","has coordinates","270571","2021-11-10","10:28:12",""
"1565169","11.211","0.002","24.948","0.005","39.487","0.007","90","","90","","90","","11044","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C132 H92 N18 O19 Tb2 -","- C132 H88 N18 O19 Tb2 -","- C528 H352 N72 O76 Tb8 -","4","0.5","","Bai, Chao; Fu, Xin-Yu; Hu, Huai-Ming; He, Shi; Wang, Xiaofang; Xue, Gang-Lin","Construction of visible luminescent lanthanide coordination compounds with different stacking modes based on a carboxylate substituted terpyridyl derivative ligand","Inorganica Chimica Acta","2020","506","","119550","","10.1016/j.ica.2020.119550","","","0.71073","MoKα","","0.1281","0.1096","","","0.2156","0.2233","","","","","","1.338","","","","has coordinates","270572","2021-11-10","10:30:20",""
"1565200","9.6838","0.0006","10.2466","0.0006","30.956","0.002","90","","90","","90","","3071.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cd O7 -","- C14 H16 Cd O7 -","- C112 H128 Cd8 O56 -","8","1","","Moreno-Gómez, Laura; Sánchez-Férez, Francisco; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Zn(II) and Cd(II) monomer, dimer and polymer compounds coordinated by benzoic acid and 4-acetylpyridine: Synthesis and crystal structures","Inorganica Chimica Acta","2020","506","","119561","","10.1016/j.ica.2020.119561","","","0.71073","MoKα","","0.0954","0.0482","","","0.0826","0.1063","","","","","","1.084","","","","has coordinates","270618","2021-11-12","09:55:56",""
"1565211","20.6993","0.001","15.1138","0.0009","26.913","0.002","90","","90","","90","","8419.6","0.9","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H42 Cl Cu2 N3 O13 -","- C45 H42 Cl Cu2 N3 O13 -","- C360 H336 Cl8 Cu16 N24 O104 -","8","1","","Kumar Mudi, Prafullya; Bandopadhyay, Nilaj; Joshi, Mayank; Shit, Madhusudan; Paul, Suvendu; Roy Choudhury, Angshuman; Biswas, Bhaskar","Schiff base triggering synthesis of copper(II) complex and its catalytic fate towards mimics of phenoxazinone synthase activity","Inorganica Chimica Acta","2020","505","","119468","","10.1016/j.ica.2020.119468","","x-ray","0.71073","MoKα","","0.1184","0.0685","","","0.1711","0.2393","","","","","","1.052","","","","has coordinates","270647","2021-11-15","08:53:16",""
"1565303","15.5879","0.0005","7.0707","0.0002","27.3859","0.0009","90","","90","","90","","3018.4","0.16","","","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cu2 N8 O2 S2 -","- C30 H24 Cu2 N8 O2 S2 -","- C120 H96 Cu8 N32 O8 S8 -","4","0.5","","Singh, Yogendra; Patel, R.N.; Patel, S.K.; Jadeja, R.N.; Patel, A.K.; Patel, N.; Roy, H.; Bhagriya, P.; Singh, Rita; Butcher, R.J.; Jasinski, Jerry P.; Herrero, S.; Cortijo, M.","Supramolecular assemblies of new pseudohalide end-to-end bridged copper(II) complex and molecular structural variety of penta and hexa-coordinted metal(II) complexes with hydrazido-based ligand","Inorganica Chimica Acta","2020","503","","119371","","10.1016/j.ica.2019.119371","","","1.54184","CuKα","","0.0443","0.0404","","","0.106","0.1101","","","","","","1.0988","","","","has coordinates,has disorder","270725","2021-11-17","09:41:16",""
"1565341","11.8079","0.0013","20.321","0.0016","23.0739","0.0014","90","","90","","90","","5536.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H24 Cl2 Hg N4 -","- C33 H24 Cl2 Hg N4 -","- C264 H192 Cl16 Hg8 N32 -","8","1","","Godde, Bérangère; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais; Jouaiti, Abdelaziz","Variations around 1D coordination polymers built from the triarylamine scaffold and Hg(II) or Cd(II)","Inorganica Chimica Acta","2020","503","","119427","","10.1016/j.ica.2020.119427","","","0.71073","MoKα","","0.1044","0.0772","","","0.116","0.1236","","","","","","1.305","","","","has coordinates","270796","2021-11-22","10:10:37",""
"1565385","14.2979","0.0004","14.0607","0.0003","16.3174","0.0004","90","","90","","90","","3280.43","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl4 N2 S -","- C16 H12 Cl4 N2 S -","- C128 H96 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.04","0.0399","","","0.0977","0.0977","","","","","","1.108","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565390","18.8339","0.0003","8.7397","0.0001","25.4167","0.0003","90","","90","","90","","4183.66","0.1","293.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br2 Cu N4 O2 S -","- C19 H18 Br2 Cu N4 O2 S -","- C152 H144 Br16 Cu8 N32 O16 S8 -","8","1","","Şahin, Musa; Eğlence-Bakır, Songül; Alpay, Merve; Alpay, Selin; Özmerdivenli, Recep; Ülküseven, Bahri","Effective copper(II) and nickel(II) complexes with N3O and ON3 thiosemicarbazidato ligands. Synthesis, structural analysis and in vitro cytotoxity on melanoma B16F10 cells","Inorganica Chimica Acta","2020","502","","119347","","10.1016/j.ica.2019.119347","","","0.7107","MoKα","","","0.112","","","","0.098","","","","","","0.83","","","","has coordinates","270853","2021-11-24","09:41:57",""
"1565464","15.0253","0.0019","15.749","0.0019","16.4568","0.0017","90","","90","","90","","3894.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 I N2 Si Zn -","- C14 H27 I N2 Si Zn -","- C112 H216 I8 N16 Si8 Zn8 -","8","1","","Chandrasekaran, Revathi; Pulikkottil, Feba Thomas; Elama, Krishna Suresh; Rasappan, Ramesh","Direct synthesis and applications of solid silylzinc reagents","Chemical Science","2021","","","","","10.1039/D1SC06038D","","","0.71073","MoKα","","0.0795","0.0436","","","0.0892","0.1078","","","","","","1.084","","","","has coordinates","270946","2021-11-30","23:12:00",""
"1565580","8.265","0.005","23.677","0.005","26.571","0.005","90","0.005","90","0.005","90","0.005","5200","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H23 N4 O P -","- C33 H23 N4 O P -","- C264 H184 N32 O8 P8 -","8","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71069","MoKα","","0.1622","0.0721","","","0.1657","0.2307","","","","","","1.024","","","","has coordinates","272563","2022-02-04","19:05:34",""
"1565589","11.632","0.0008","9.0024","0.0009","29.319","0.002","90","","90","","90","","3070.2","0.4","292.6","0.3","292.6","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","DTTP4","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Kim, Yumin; Kang, Sangyoon; Lee, Byung Hun; Song, Youngjun; Kang, Sunah; Park, Hye Yoon; Lee, Yan","De novo generation of a bright blue fluorophore from 2-oxoglutarate in biological samples","Chemical Science","2021","","","","","10.1039/D1SC05808H","","x-ray","0.71073","MoKα","","0.1256","0.0638","","","0.127","0.1553","","","","","","1.035","","","","has coordinates","271254","2021-12-07","23:15:04",""
"1565595","8.368","0.003","18.822","0.007","25.534","0.009","90","","90","","90","","4022","3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B2 F4 O4 S -","- C20 H16 B2 F4 O4 S -","- C160 H128 B16 F32 O32 S8 -","8","1","","Svistunova, Iryna V.; Sharutin, Vladimir V.; Tretyakova, Galina O.; Puzyrkov, Zakhar N.","Synthesis and structure of boron difluoride binuclear β-diketonates","Inorganica Chimica Acta","2020","501","","119230","","10.1016/j.ica.2019.119230","","","0.71073","MoKα","","0.0827","0.0491","","","0.1008","0.1138","","","","","","1.045","","","","has coordinates","271264","2021-12-08","10:05:40",""
"1565614","11.895","0.005","15.863","0.005","15.918","0.005","90","0.005","90","0.005","90","0.005","3003.6","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H40 N4 O4 S2 Zn2 -","- C26 H40 N4 O4 S2 Zn2 -","- C104 H160 N16 O16 S8 Zn8 -","4","0.5","","Nayak, Mousumi; Kumar Singh, Ashish; Prakash, Pradyot; Kant, Rajni; Bhattacharya, Subrato","Structural studies on thiosalicylate complexes of Zn(II) & Hg(II). First insight into Zn(II)-thiosalicylate complex as potential antibacterial, antibiofilm and anti-tumour agent","Inorganica Chimica Acta","2020","501","","119263","","10.1016/j.ica.2019.119263","","","0.71073","MoKα","","0.0816","0.0489","","","0.1073","0.1292","","","","","","1.073","","","","has coordinates","271291","2021-12-09","09:19:23",""
"1565738","9.5764","0.0006","18.2189","0.0012","35.88","0.002","90","","90","","90","","6260","0.7","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N11 O3 P3 -","- C28 H28 N11 O3 P3 -","- C224 H224 N88 O24 P24 -","8","1","","İbişoğlu, Hanife; Erdemir, Eda; Atilla, Devrim; Zorlu, Yunus; Şenkuytu, Elif","Synthesis, characterization and photophysical properties of cyclotriphosphazenes including heterocyclic rings","Inorganica Chimica Acta","2019","498","","119120","","10.1016/j.ica.2019.119120","","","0.71073","MoKα","","0.1647","0.0726","","","0.1633","0.2026","","","","","","1.045","","","","has coordinates,has disorder","271391","2021-12-14","09:40:15",""
"1565751","12.087","0.0008","7.5053","0.0006","25.0504","0.0018","90","","90","","90","","2272.5","0.3","188","2","188","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","","Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu","Dinuclear lanthanoid(III) dithiocarbamato complexes bridged by (E)-N-benzylidenepicolinohydrazonate: Syntheses, crystal structures and spectroscopic properties","Inorganica Chimica Acta","2019","498","","119124","","10.1016/j.ica.2019.119124","","","0.71075","MoKα","","0.1152","0.0638","","","0.1199","0.141","","","","","","1.035","","","","has coordinates","271404","2021-12-14","10:05:40",""
"1565794","15.5527","0.0009","26.7995","0.0012","38.849","0.002","90","","90","","90","","16192.4","1.4","140","0.1","140","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C94 H92 Ce K O6 Si4 -","- C94 H92 Ce K O6 Si4 -","- C752 H736 Ce8 K8 O48 Si32 -","8","1","","Willauer, Aurélien R.; Douair, Iskander; Chauvin, Anne-Sophie; Fadaei-Tirani, Farzaneh; Bünzli, Jean-Claude G.; Maron, Laurent; Mazzanti, Marinella","Structure, reactivity and luminescence studies of triphenylsiloxide complexes of tetravalent lanthanides","Chemical Science","2022","13","3","681","691","10.1039/D1SC05517H","","x-ray","1.54184","CuKα","","0.153","0.0679","","","0.1426","0.1858","","","","","","0.98","","","","has coordinates,has disorder","272592","2022-02-04","19:15:41",""
"1565821","14.3788","0.0008","7.5241","0.0005","35.493","0.002","90","","90","","90","","3839.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cis-N-(4-iodophenyl)-2-2-methyl-3-phenyl-2,3-dihydrobenzofuran-2-yl)acetamide","","- C23 H20 I N O2 -","- C23 H20 I N O2 -","- C184 H160 I8 N8 O16 -","8","1","","Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers","Chemical Science","2022","13","4","1030","1036","10.1039/D1SC04622E","","","0.71073","MoKα","","0.0403","0.0359","","","0.0715","0.0738","","","","","","1.155","","","","has coordinates,has disorder","272579","2022-02-04","19:12:40",""
"1565897","11.7566","0.0005","7.5793","0.0003","22.5745","0.0008","90","","90","","90","","2011.54","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0811","0.0501","","","0.1254","0.1533","","","","","","1.052","","","","has coordinates","271777","2022-01-04","02:06:44",""
"1565984","16.53","0.1","12.81","0.05","13.46","0.07","90","","90","","90","","2850","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Sulfonylbis(bromomethylene)]dibenzene","","- C14 H12 Br2 O2 S -","- C14 H12 Br2 O2 S -","- C112 H96 Br16 O16 S8 -","8","1","WM4157","Corfield, Peter W. R.","[Sulfonylbis(bromomethylene)]dibenzene","IUCrData","2022","7","1","x211351","","10.1107/S2414314621013511","","","0.7107","MoKα","","0.0632","0.046","","","0.099","0.1054","","","","","","1.104","","","","has coordinates,has Fobs","272058","2022-01-15","02:54:41",""
"1566095","17.7615","0.0005","17.8877","0.0006","21.437","0.0007","90","","90","","90","","6810.8","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H35 B N8 O2 Zn -","- C39 H35 B N8 O2 Zn -","- C312 H280 B8 N64 O16 Zn8 -","8","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","K-L~3~","0.0377","0.0314","","","0.0807","0.0848","","","","","","1.045","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566102","16.4658","0.0006","22.9868","0.001","23.1548","0.0009","90","","90","","90","","8764","0.6","273.15","","273.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H36 B N7 O S Zn -","- C43 H36 B N7 O S Zn -","- C344 H288 B8 N56 O8 S8 Zn8 -","8","1","","Jackl, Moritz K.; Seo, Hyeonglim; Karges, Johannes; Kalaj, Mark; Cohen, Seth M.","Salicylate Metal-Binding Isosteres as Fragments for Metalloenzyme Inhibition","Chemical Science","2022","","","","","10.1039/D1SC06011B","","x-ray","0.71073","MoKα","","0.062","0.0389","","","0.0906","0.1076","","","","","","1.06","","","","has coordinates","272194","2022-01-21","23:08:08",""
"1566149","19.6653","0.0002","10.33692","0.0001","28.5425","0.0003","90","","90","","90","","5802.08","0.1","220","2","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 N2 O2 -","- C38 H34 N2 O2 -","- C304 H272 N16 O16 -","8","1","","Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max","Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds","Chemical Science","2022","","","","","10.1039/D1SC06719B","","","1.54178","CuKα","","0.0449","0.0364","","","0.0862","0.0918","","","","","","1.039","","","","has coordinates,has disorder","272257","2022-01-26","23:11:32",""
"1566153","18.3035","0.0004","18.6688","0.0005","41.8373","0.0008","90","","90","","90","","14296","0.6","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H49 Al B Br3 N6 -","- C29 H49 Al B Br3 N6 -","- C464 H784 Al16 B16 Br48 N96 -","16","2","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0892","0.0688","","","0.1875","0.2106","","","","","","1.045","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566252","16.781","0.0005","14.7044","0.0004","14.2985","0.0005","90","","90","","90","","3528.22","0.19","296.57","0.19","296.57","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- H36 O21 U4 -","- O21 U4 -","- O168 U32 -","8","1","","Jakub Plasil","The crystal structure of uranyl-oxide mineral schoepite, [(UO2)4O (OH)6]( H2O)6, revisited","Journal of GeoSciences","2018","63","","65","73","10.3190/jgeosci.252","","x-ray","0.71073","MoKα","","0.0466","0.0264","","","0.0579","0.0658","","","","1.38","1.38","1.31","","","","has coordinates","272415","2022-02-02","09:27:03",""
"1566339","11.9139","0.0001","14.4308","0.0002","32.1655","0.0005","90","","90","","90","","5530.12","0.12","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H47 B N2 P2 Pd -","- C25 H47 B N2 P2 Pd -","- C200 H376 B8 N16 P16 Pd8 -","8","1","","Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q.","Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds","Chemical Science","2022","13","8","2391","2404","10.1039/D1SC06346D","","","1.54184","CuKα","","0.0408","0.0364","","","0.0917","0.0946","","","","","","1.043","","","","has coordinates","273350","2022-03-04","22:06:58",""
"1566349","21.161","0.004","17.679","0.004","25.912","0.005","90","","90","","90","","9694","3","177","2","177","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H65 Au B2 N2 -","- C55 H65 Au B2 N2 -","- C440 H520 Au8 B16 N16 -","8","1","","Mao, Xiaofeng; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","A (μ-hydrido)diborane(4) anion and its coordination chemistry with coinage metals.","Chemical science","2022","13","10","3009","3013","10.1039/d2sc00318j","","","0.71073","MoKα","","0.0469","0.0346","","","0.067","0.0804","","","","","","1.119","","","","has coordinates","274967","2022-05-05","20:27:19",""
"1566595","19.5585","0.0008","24.7224","0.001","29.8538","0.001","90","","90","","90","","14435.3","1","99.98","","99.98","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(Cryptand-222)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","","- C77 H83 Cl4 K Mn N6 O8 S -","- C77 H83 Cl4 K Mn N6 O8 S -","- C616 H664 Cl32 K8 Mn8 N48 O64 S8 -","8","1","BT4121","Yuan, Yiwen; Li, Jianfeng","([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","IUCrData","2022","7","3","x220241","","10.1107/S2414314622002413","","","0.71073","MoKα","","0.0899","0.049","","","0.0987","0.1153","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","273643","2022-03-11","03:35:28",""
"1566734","9.6146","0.0003","15.9025","0.0004","29.7245","0.0007","90","","90","","90","","4544.8","0.2","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H22 N2 O4 S -","- C29 H22 N2 O4 S -","- C232 H176 N16 O32 S8 -","8","1","","Dong, Jingyue; Gao, Wei; Li, Kun; Hong, Zeyu; Tang, Liangfu; Han, Lijun; Wang, Zhihong; Fan, Zhijin","Design, Synthesis, and Biological Evaluation of Novel Psoralen-Based 1,3,4-Oxadiazoles as Potent Fungicide Candidates Targeting Pyruvate Kinase.","Journal of agricultural and food chemistry","2022","70","11","3435","3446","10.1021/acs.jafc.1c07911","","x-ray","0.71073","MoKα","","0.058","0.0468","","","0.1122","0.1201","","","","","","1.036","","","","has coordinates","274287","2022-04-03","23:12:12",""
"1566757","5.1815","0.0002","18.2321","0.0011","8.8085","0.0005","90","","90","","90","","832.14","0.08","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Magnesium iron aluminium catena-alumosilicate","Magnesium iron aluminium catena-alumosilicate","Enstatite","- Al0.067 Fe0.067 Mg1.94 O6 Si1.93 -","- Al0.067 Fe0.067 Mg1.933 O6 Si1.933 -","- Al0.536 Fe0.536 Mg15.464 O48 Si15.464 -","8","1","","Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.","Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII","Journal of Synchrotron Radiation","2022","29","3","654","663","10.1107/S1600577522002582","","x-ray","0.483","synchrotron","","0.0327","0.0253","","","0.0364","0.0391","","","","1.85","1.85","1.87","","","","has coordinates,has Fobs","275879","2022-06-07","14:05:49",""
"1566818","15.0807","0.0002","9.7071","0.0001","19.4956","0.0002","90","","90","","90","","2853.96","0.06","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H30 B2 N8 O2 -","- C34 H30 B2 N8 O2 -","- C136 H120 B8 N32 O8 -","4","0.5","","Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai","Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission","Chemical Science","2022","","","","","10.1039/D2SC01103D","","","1.54178","CuKα","","0.0476","0.037","","","0.0819","0.0879","","","","","","1.049","","","","has coordinates","274562","2022-04-18","22:11:18",""
"1566932","18.0783","0.0008","19.0664","0.0008","27.2154","0.0011","90","","90","","90","","9380.8","0.7","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Cu(COD)2]BArF24","[Cu(COD)2]BArF24","","- C48 H36 B Cu F24 -","- C48 H36 B Cu F24.009 -","- C384 H288 B8 Cu8 F192.072 -","8","1","","Graziano, Brendan J.; Scott, Thais R.; Vollmer, Matthew V.; Dorantes, Michael J.; Young, Jr, Victor G; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","One-electron bonds in copper-aluminum and copper-gallium complexes.","Chemical science","2022","13","22","6525","6531","10.1039/d2sc01998a","","","0.71073","MoKα","","0.1053","0.0682","","","0.181","0.2119","","","","","","1.034","","","","has coordinates,has disorder","276601","2022-07-06","07:58:49",""
"1566956","13.5889","0.0003","9.9317","0.0002","20.9678","0.0004","90","","90","","90","","2829.83","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 F3 N O4 -","- C15 H12 F3 N O4 -","- C120 H96 F24 N8 O32 -","8","1","","Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M.","Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols","Chemical Science","2022","","","","","10.1039/D2SC01547A","","","1.54178","CuKα","","0.0382","0.0338","","","0.0801","0.0827","","","","","","1.044","","","","has coordinates","275346","2022-05-11","22:12:05",""
"1567092","19.2646","0.0007","16.7587","0.0007","24.952","0.0011","90","","90","","90","","8055.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Fe(NMes)(N{Dipp}TMS)2]","","- C39 H63 Fe N3 Si2 -","- C39 H63 Fe N3 Si2 -","- C312 H504 Fe8 N24 Si16 -","8","1","","Reith, Sascha; Demeshko, Serhiy; Battistella, Beatrice; Reckziegel, Alexander; Schneider, Christian; Stoy, Andreas; Lichtenberg, Crispin; Meyer, Franc; Munz, Dominik; Werncke, C. Gunnar","Between imide, imidyl and nitrene - an imido iron complex in two oxidation states.","Chemical science","2022","13","26","7907","7913","10.1039/d2sc01088g","","","0.71073","MoKα","","0.0651","0.0464","","","0.0897","0.0953","","","","","","1.042","","","","has coordinates","277101","2022-08-06","11:43:13",""
"1567134","15.0187","0.0007","14.1539","0.0005","30.0583","0.0011","90","","90","","90","","6389.6","0.4","275","4","275","4","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H32 Co N5 O4 Sn -","- C31 H34 Co N5 O4 Sn -","- C248 H272 Co8 N40 O32 Sn8 -","8","1","","Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei","Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.","Chemical science","2022","13","26","7947","7954","10.1039/d2sc02291e","","x-ray","0.71073","MoKα","","0.0733","0.0363","","","0.0759","0.0861","","","","","","1.035","","","","has coordinates,has disorder","277105","2022-08-06","11:44:06",""
"1567144","19.3389","0.0007","18.1968","0.0007","34.039","0.001","90","","90","","90","","11978.5","0.7","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-\ hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","","- C32 H72 Cl12 I2 Nb6 O12 -","- C32 H72 Cl12 I2 Nb6 O12 -","- C256 H576 Cl96 I16 Nb48 O96 -","8","1","WM4165","Schröder, Florian; Köckerling, Martin","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","IUCrData","2022","7","6","x220618","","10.1107/S2414314622006186","","","0.71073","MoKα","","0.0804","0.0512","","","0.1167","0.1322","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","276081","2022-06-17","02:05:17",""
"1567153","26.0183","0.0001","23.433","0.0001","31.3406","0.0002","90","","90","","90","","19107.9","0.16","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H45.5 Ir N5.5 O P2 -","- C26 H45.5 Ir N5.5 O P2 -","- C624 H1092 Ir24 N132 O24 P48 -","24","3","","Jain, Anant Kumar; Gau, Michael R.; Carroll, Patrick J.; Goldberg, Karen I.","The underappreciated influence of ancillary halide on metal-ligand proton tautomerism.","Chemical science","2022","13","26","7837","7845","10.1039/d2sc00279e","","x-ray","0.71073","MoKα","","0.0449","0.0394","","","0.0979","0.0996","","","","","","1.265","","","","has coordinates","277104","2022-08-06","11:43:56",""
"1567200","5.817","0.002","16.812","0.006","11.892","0.007","90","","90","","90","","1163","0.9","","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena(Ammonium fluoro-(mu!2!-fluoro)-isothiocyanato-tin(II))","","- C H4 N2 O S Sn -","- C H4 F2 N2 S Sn -","- C8 H32 F16 N16 S8 Sn8 -","8","1","","Kokunov, Yu. V.","Tin(II) Fluoride Compounds with Mixed Acidoligands: Synthesis and Crystal Structure of NH4[SnF2(NCS)]","Russian Journal of Coordination Chemistry","2000","26","12","857","860","10.1023/A:1026674808129","","x-ray","","MoKα","","","0.021","","","","0.022","","","","","","","","","","has coordinates","276452","2022-06-30","20:59:28",""
"1567240","14.8284","0.0008","17.9936","0.001","21.3095","0.0012","90","","90","","90","","5685.7","0.5","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin","2,3,8,12,17,18-hexaethyl-7,13-dimethylbiliverdin","","- C33 H42 N4 O2 -","- C33 H42 N4 O2 -","- C264 H336 N32 O16 -","8","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.057","0.0451","","","0.1186","0.1277","","","","","","1.023","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567297","12.27","0.003","19.141","0.004","36.523","0.007","90","","90","","90","","8578","3","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H46 Cu F6 N10 O6 S2 -","- C34 H46 Cu F6 N10 O6 S2 -","- C272 H368 Cu8 F48 N80 O48 S16 -","8","1","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0793","0.065","","","0.1568","0.171","","","","","","1.094","","","","has coordinates","276801","2022-07-22","22:46:29",""
"1567317","13.266","0.003","15.322","0.003","16.848","0.003","90","","90","","90","","3424.6","1.2","101","2","101","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N2 O2 Rh S -","- C17 H23 N2 O2 Rh S -","- C136 H184 N16 O16 Rh8 S8 -","8","1","","Suhr, Simon; Walter, Robert Richerd Marten; Beerhues, Julia; Albold, Uta; Sarkar, Biprajit","Rhodium Diamidobenzene Complexes: A Tale of Different Substituents on the Diamidobenzene Ligand","Chemical Science","2022","","","","","10.1039/D2SC03227A","","","0.71073","MoKα","","0.0304","0.0218","","","0.0485","0.0516","","","","","","1.013","","","","has coordinates","276806","2022-07-22","22:56:49",""
"1567379","8.8585","0.0003","18.0405","0.0005","23.1961","0.0007","90","","90","","90","","3707","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C21 H19 N5 O3 -","- C21 H19 N5 O3 -","- C168 H152 N40 O24 -","8","1","BX4022","Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","IUCrData","2022","7","7","","","10.1107/S2414314622006939","","","1.54178","CuKα","","0.0438","0.0351","","","0.0816","0.0872","","","","","","1.048","","","","has coordinates,has Fobs","276905","2022-07-23","04:25:09",""
"1567398","16.5285","0.0001","17.378","0.0001","34.2234","0.0002","90","","90","","90","","9830.06","0.1","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H67 Br2 Mn N7 O Si2 -","- C43 H67 Br2 Mn N7 O Si2 -","- C344 H536 Br16 Mn8 N56 O8 Si16 -","8","1","","Kalra, Shweta; Pividori, Daniel; Fehn, Dominik; Dai, Chenshu; Dong, Shicheng; Yao, Shenglai; Zhu, Jun; Meyer, Karsten; Driess, Matthias","A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d7-Mn(CO)5 radical","Chemical Science","2022","13","29","8634","8641","10.1039/D2SC03352F","","","1.54184","CuKα","","0.0387","0.0341","","","0.0838","0.0878","","","","","","1.028","","","","has coordinates","277001","2022-07-29","22:06:29",""
"1567412","15.7175","0.0005","8.1812","0.0002","17.2809","0.0006","90","","90","","90","","2222.12","0.12","100","","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 Cl4 N3 Pb -","- C4 H9 Cl4 N3 Pb -","- C32 H72 Cl32 N24 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0338","0.0176","","","0.0334","0.039","","","","","","1.051","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567413","15.7952","0.0008","8.1952","0.0004","17.4241","0.001","90","","90","","90","","2255.5","0.2","300","","300.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 Cl4 N3 Pb -","- C4 H9 Cl4 N3 Pb -","- C32 H72 Cl32 N24 Pb8 -","8","1","","Crace, Ethan; Su, Alexander; Karunadasa, Hemamala I.","Reliably obtaining white light from layered halide perovskites at room temperature","Chemical Science","2022","","","","","10.1039/D2SC02381D","","x-ray","0.71073","MoKα","","0.0399","0.0204","","","0.0475","0.0576","","","","","","1.176","","","","has coordinates,has disorder","277025","2022-08-01","22:08:41",""
"1567422","14.187","0.003","13.429","0.004","27.488","0.008","90","","90","","90","","5237","2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 S2 -","- C32 H24 N2 O2 S2 -","- C256 H192 N16 O16 S16 -","8","1","","Ge, Lingbing; Hou, Songjun; Chen, Yaorong; Wu, Qingqing; Long, Lanxin; Yang, Xingzhou; Ji, Yu; Lin, Luchun; Xue, Guodong; Liu, Junyang; Liu, Xiaodong; Lambert, Colin J.; Hong, Wenjing; Zheng, Yonghao","Hydrogen-bond-induced quantum interference in single-molecule junctions of regioisomers","Chemical Science","2022","13","33","9552","9559","10.1039/D2SC03229E","","","0.71073","MoKα","","0.1317","0.0601","","","0.1318","0.1837","","","","","","1.021","","","","has coordinates","277662","2022-09-06","09:57:52",""
"1567429","9.2426","0.0006","18.4473","0.0014","35.708","0.004","90","","90","","90","","6088.3","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C20 H12 Cl4 N8 Na2 O14 Pd -","- C160 H96 Cl32 N64 Na16 O112 Pd8 -","8","1","","Panja, Subir; Ahsan, Salman; Pal, Tanay; Kolb, Simon; Ali, Wajid; Sharma, Sulekha; Das, Chandan; Grover, Jagrit; Dutta, Arnab; Werz, Daniel B.; Paul, Amit; Maiti, Debabrata","Non-directed Pd-catalysed electrooxidative olefination of arenes","Chemical Science","2022","13","32","9432","9439","10.1039/D2SC03288K","","","0.71073","MoKα","","0.1709","0.1177","","","0.2428","0.2701","","","","","","1.114","","","","has coordinates","277652","2022-09-06","09:52:11",""
"1567430","11.6876","0.001","24.898","0.003","13.833","0.002","90","","90","","90","","4025.4","0.8","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H13 N O Si -","- C8 H13 N O Si -","- C128 H208 N16 O16 Si16 -","16","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0478","0.0419","","","0.1136","0.1205","","","","","","1.074","","","","has coordinates","277147","2022-08-06","19:38:02",""
"1567547","18.304","0.0004","15.4886","0.0003","18.7216","0.0004","90","","90","","90","","5307.64","0.19","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H45 Nd O -","- C29 H45 Nd O -","- C232 H360 Nd8 O8 -","8","1","","Korzyński, Maciej Damian; Bernhardt, Moritz; Romankov, Vladyslav; Dreiser, Jan; Matmon, Guy; Pointillart, Fabrice; Le Guennic, Boris; Cador, Olivier; Copéret, Christophe","Cyclooctatetraenide-based single-ion magnets featuring bulky cyclopentadienyl ligand","Chemical Science","2022","","","","","10.1039/D2SC02560D","","x-ray","0.71073","MoKα","K-L~3~","0.0404","0.0228","","","0.0399","0.0501","","","","","","1.1344","","","","has coordinates","277469","2022-08-30","22:15:36",""
"1567574","10.9817","0.0004","17.1391","0.0006","31.4588","0.0011","90","","90","","90","","5921.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H68 Co2 N4 O6 -","- C68 H68 Co2 N4 O6 -","- C272 H272 Co8 N16 O24 -","4","0.5","","Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa","Direct observation of reversible bond homolysis by 2D EXSY NMR","Chemical Science","2022","13","32","9202","9209","10.1039/D2SC03028D","","x-ray","0.71073","MoKα","","0.0564","0.0431","","","0.1051","0.1125","","","","","","1.109","","","","has coordinates,has disorder","277624","2022-09-05","06:14:50",""
"1567639","7.4776","0.0001","19.104","0.0002","26.0919","0.0003","90","","90","","90","","3727.28","0.08","112.3","0.7","112.3","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 I2 N2 O2 -","- C20 H14 I2 N2 O2 -","- C160 H112 I16 N16 O16 -","8","1","GG4010","Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R.","2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol)","IUCrData","2022","7","9","x220895","","10.1107/S2414314622008951","","x-ray","0.71073","MoKα","","0.0226","0.0202","","","0.0435","0.0443","","","","","","1.087","","","","has coordinates,has Fobs","277825","2022-09-14","01:50:16",""
"1567642","10.6941","0.0003","8.218","0.0002","46.3766","0.0014","90","","90","","90","","4075.8","0.2","296","0.3","296","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Br O4 -","- C21 H29 Br O4 -","- C168 H232 Br8 O32 -","8","1","","Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan","Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis","Chemical Science","2022","13","35","10273","10280","10.1039/D2SC03991E","","x-ray","1.54184","CuKα","","0.0444","0.043","","","0.1083","0.1094","","","","","","1.051","","","","has coordinates","277845","2022-09-14","22:09:07",""
"1567673","15.8974","0.0008","16.5103","0.0007","21.77","0.002","90","","90","","90","","5714","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Cl N2 Pd -","- C31 H37 Cl N2 Pd -","- C248 H296 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0724","0.0387","","","0.0825","0.0964","","","","","","1.011","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567674","19.238","0.0014","17.9782","0.0018","21.2489","0.0009","90","","90","","90","","7349.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C328 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.068","0.0369","","","0.083","0.0987","","","","","","1.023","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567675","14.159","0.0004","17.0852","0.0008","29.6394","0.0009","90","","90","","90","","7170","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 Cl N2 Pd -","- C40 H47 Cl N2 Pd -","- C320 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0942","0.0521","","","0.104","0.1227","","","","","","1.031","","","","has coordinates,has disorder","278959","2022-11-07","05:04:10",""
"1567689","16.0233","0.0003","14.6001","0.0002","16.6104","0.0003","90","","90","","90","","3885.87","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C136 H144 N16 O56 S8 Zn8 -","8","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.1091","0.1053","","","0.2829","0.2904","","","","","","1.099","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567690","16.10966","0.00019","14.61582","0.00019","16.4897","0.0002","90","","90","","90","","3882.6","0.08","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Cu N2 O7 S -","- C17 H18 Cu N2 O7 S -","- C136 H144 Cu8 N16 O56 S8 -","8","1","","Xu, Heng; Zhang, Le-Xi; Xing, Yue; Yin, Yanyan; Tang, Bo; Bie, Lijian","Self-assembled mononuclear complexes: open metal sites and inverse dimension-dependent catalytic activity for Knoevenagel condensation and CO2 cycloaddition","Nanoscale","2022","","","","","10.1039/D2NR04103K","","","1.54184","CuKα","","0.0837","0.0788","","","0.2571","0.263","","","","","","1.083","","","","has coordinates","278151","2022-09-26","15:27:03",""
"1567754","7.67243","0.00012","8.07957","0.00012","24.2351","0.0004","90","","90","","90","","1502.33","0.04","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H8 F6 N3 O P -","- C H8 F6 N3 O P -","- C8 H64 F48 N24 O8 P8 -","8","1","","Bellas, Michael K.; Matzger, Adam J.","Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt","Chemical Science","2022","13","41","12100","12106","10.1039/D2SC03015B","","x-ray","1.54184","CuKα","","0.0364","0.0339","","","0.0942","0.0964","","","","","","1.059","","","","has coordinates","278969","2022-11-07","05:14:21",""
"1567762","16.617","0.0005","11.8972","0.0003","22.9385","0.0007","90","","90","","90","","4534.8","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H34 N2 O5 S -","- C22 H34 N2 O5 S -","- C176 H272 N16 O40 S8 -","8","1","","Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K.","Iminologous epoxide ring-closure","Chemical Science","2022","13","41","12175","12179","10.1039/D2SC04496J","","","1.54178","CuKα","","0.0595","0.0525","","","0.1348","0.1402","","","","","","1.05","","","","has coordinates,has disorder","278965","2022-11-07","05:12:48",""
"1567779","12.2903","0.0003","13.3012","0.0003","15.6001","0.0003","90","","90","","90","","2550.24","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cl Fe O2 P -","- C11 H14 Cl Fe O2 P -","- C88 H112 Cl8 Fe8 O16 P8 -","8","1","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0257","0.0205","","","0.0487","0.0513","","","","","","1.045","","","","has coordinates","280170","2023-01-06","09:35:51",""
"1567781","21.4541","0.0005","9.6814","0.0002","23.524","0.0005","90","","90","","90","","4886.07","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 F Fe O2 P -","- C11 H13.928 F Fe O2 P -","- C176 H222.848 F16 Fe16 O32 P16 -","16","2","","Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C.","Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins.","Chemical science","2022","13","43","12696","12702","10.1039/d2sc05011k","","","0.71073","MoKα","","0.0428","0.0323","","","0.081","0.0877","","","","","","1.039","","","","has coordinates,has disorder","280170","2023-01-06","09:35:51",""
"1567900","9.1016","0.0005","14.4759","0.0006","28.6257","0.0014","90","","90","","90","","3771.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H21 Br Mn N4 O2 P -","- C16 H21 Br Mn N4 O2 P -","- C128 H168 Br8 Mn8 N32 O16 P8 -","8","1","","Shabade, Anand B.; Sharma, Dipesh M.; Bajpai, Priyam; Gonnade, Rajesh G.; Vanka, Kumar; Punji, Benudhar","Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by well-defined mixed donor Mn(I) pincer catalyst","Chemical Science","2022","","","","","10.1039/D2SC05274A","","","0.71073","MoKα","","0.0882","0.0494","","","0.0889","0.1012","","","","","","1.051","","","","has coordinates","278934","2022-11-03","23:15:23",""
"1568036","8.0671","0.0002","15.0932","0.0004","22.4852","0.0006","90","","90","","90","","2737.76","0.12","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H22 O2 Si -","- C13 H22 O2 Si -","- C104 H176 O16 Si8 -","8","1","","Antico, Emanuele; Leutzsch, Markus; Wessel, Niklas; Weyhermüller, Thomas; Werlé, Christophe; Leitner, Walter","Selective oxidation of silanes into silanols with water using [MnBr(CO)<sub>5</sub>] as a precatalyst.","Chemical science","2022","14","1","54","60","10.1039/d2sc05959b","","","0.71073","MoKα","","0.0667","0.0444","","","0.1069","0.1205","","","","","","1.082","","","","has coordinates","283152","2023-05-05","00:55:09",""
"1568092","11.146","0.002","24.058","0.005","42.262","0.008","90","","90","","90","","11333","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H25 Au Cl2 N O2 P -","- C32 H25 Au Cl2 N O2 P -","- C512 H400 Au16 Cl32 N16 O32 P16 -","16","2","","Johnson, Alice; Olelewe, Chibuzor; Kim, Jong Hyun; Northcote-Smith, Joshua; Mertens, R. Tyler; Passeri, Ginevra; Singh, Kuldip; Awuah, Samuel G.; Suntharalingam, Kogularamanan","The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes.","Chemical science","2023","14","3","557","565","10.1039/d2sc04707a","","","0.71073","MoKα","","0.1027","0.0619","","","0.0949","0.1032","","","","","","1.072","","","","has coordinates","281399","2023-03-04","18:05:57",""
"1568253","15.0449","0.0002","16.2449","0.0002","26.5593","0.0003","90","","90","","90","","6491.17","0.14","173","0.14","173","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H50 N2 Zn -","- C34 H50 N2 Zn -","- C272 H400 N16 Zn8 -","8","1","","Parr, Joseph M.; Phanopoulos, Andreas; Vickneswaran, Aaranjah; Crimmin, Mark R.","Understanding the role of ring strain in β-alkyl migration at Mg and Zn centres.","Chemical science","2023","14","6","1590","1597","10.1039/d2sc06288g","","x-ray","1.54184","CuKα","","0.0414","0.0352","","","0.0941","0.1009","","","","","","1.039","","","","has coordinates","281370","2023-03-04","17:56:17",""
"1568292","15.839","0.0004","10.3662","0.0003","19.8011","0.0005","90","","90","","90","","3251.15","0.15","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","","Tang, Chunlin; Song, Lijuan; Zhou, Kang; Ren, Peng; Zhao, Engui; He, Zikai","Manipulating D-A interaction to achieve stable photoinduced organic radicals in triphenylphosphine crystals.","Chemical science","2023","14","7","1871","1877","10.1039/d2sc05753k","","","1.54178","CuKα","","0.032","0.0297","","","0.0783","0.08","","","","","","1.049","","","","has coordinates","281381","2023-03-04","18:00:09",""
"1568367","8.9762","0.0001","18.0158","0.0001","35.4048","0.0002","90","","90","","90","","5725.43","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H15 F2 N3 O4 S2 -","- C9 H15 F2 N3 O4 S2 -","- C144 H240 F32 N48 O64 S32 -","16","2","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","","1.54184","CuKα","","0.0474","0.0455","","","0.1317","0.1335","","","","","","1.056","","","","has coordinates,has disorder","283153","2023-05-05","00:56:51",""
"1568444","13.9907","0.0003","14.6428","0.0004","21.7567","0.0006","90","","90","","90","","4457.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H29 Br N O P -","- C23 H29 Br N O P -","- C184 H232 Br8 N8 O8 P8 -","8","1","","Ong, How Chee; Coimbra, João T S; Ramos, Maria J.; Xing, Bengang; Fernandes, Pedro A.; García, Felipe","Beyond the TPP<sup>+</sup> ""gold standard"": a new generation mitochondrial delivery vector based on extended PN frameworks.","Chemical science","2023","14","15","4126","4133","10.1039/d2sc06508h","","","0.71073","MoKα","","0.0807","0.0425","","","0.0821","0.0954","","","","","","1.036","","","","has coordinates","283188","2023-05-05","01:12:47",""
"1568515","18.5124","0.0014","15.2519","0.0011","35.298","0.003","90","","90","","90","","9966.4","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H78 N2 O3 Yb -","- C55 H78 N2 O3 Yb -","- C440 H624 N16 O24 Yb8 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.","Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction","Chemical Science","2023","14","8","2149","2158","10.1039/D2SC06730G","","x-ray","0.71073","MoKα","","0.1134","0.0647","","","0.133","0.1534","","","","","","1.078","","","","has coordinates,has disorder","281099","2023-02-23","07:57:52",""
"1568540","18.2041","0.0015","12.7693","0.0013","19.5076","0.0018","90","","90","","90","","4534.6","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","ARW-II-297","ARW-II-297","","- C23 H30 O7 Si -","- C23 H30 O7 Si -","- C184 H240 O56 Si8 -","8","1","","Kerkovius, Jeff; Wong, Alice; Mak, Victor; Reisman, Sarah E.","A convergent fragment coupling strategy to access quaternary stereogenic centers","Chemical Science","2023","","","","","10.1039/D2SC07023E","","","0.71073","MoKα","","0.0621","0.0443","","","0.0997","0.1053","","","","","","1.09","","","","has coordinates","281164","2023-02-28","07:50:05",""
"1568548","15.6906","0.0003","14.9491","0.0003","18.9271","0.0004","90","","90","","90","","4439.55","0.15","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 Cl N O2 P S -","- C26 H19 Cl N O2 P S -","- C208 H152 Cl8 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0812","0.0476","","","0.1221","0.1413","","","","","","1.046","","","","has coordinates","281227","2023-03-02","07:55:31",""
"1568549","17.9194","0.0003","12.2042","0.0001","18.6576","0.0002","90","","90","","90","","4080.27","0.09","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N O2 P S -","- C25 H20 N O2 P S -","- C200 H160 N8 O16 P8 S8 -","8","1","","König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie","Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates","Chemical Science","2023","14","9","2267","2274","10.1039/D3SC00308F","","","0.71073","MoKα","","0.0481","0.0383","","","0.0883","0.0932","","","","","","1.067","","","","has coordinates","281227","2023-03-02","07:55:34",""
"1568560","14.031","0.006","14.473","0.006","19.564","0.007","90","","90","","90","","3973","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H24 I N3 O5 Ru -","- C16 H24 I N3 O5 Ru -","- C128 H192 I8 N24 O40 Ru8 -","8","1","","Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo","Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol","Catalysis Science & Technology","2023","13","7","2160","2183","10.1039/D3CY00218G","","","0.71073","MoKα","","0.0366","0.0339","","","0.0588","0.0595","","","","","","1.323","","","","has coordinates","282243","2023-04-04","09:26:22",""
"1568572","7.46953","0.00017","17.2423","0.0004","25.6766","0.0006","90","","90","","90","","3306.94","0.13","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C168 H208 O24 -","8","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","1.54184","CuKα","","0.0461","0.0406","","","0.1035","0.1073","","","","","","1.059","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568581","17.4954","0.0015","23.7716","0.0018","26.188","0.002","90","","90","","90","","10891.4","1.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C63 H52 B Cl2 Cu F4 N2 P2 -","- C504 H416 B8 Cl16 Cu8 F32 N16 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0948","0.0581","","","0.1464","0.1617","","","","","","1.048","","","","has coordinates","281625","2023-03-05","01:56:10",""
"1568584","17.979","0.003","24.99","0.004","27.167","0.004","90","","90","","90","","12206","3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H59 Cl3 Cu N3 O3 P2 -","- C67 H59 Cl3 Cu N3 O3 P2 -","- C536 H472 Cl24 Cu8 N24 O24 P16 -","8","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.1042","0.0638","","","0.1608","0.1818","","","","","","1.056","","","","has coordinates","281625","2023-03-05","01:56:16",""
"1568676","22.2241","0.0009","9.0072","0.0003","30.4536","0.0011","90","","90","","90","","6096.1","0.4","272","2","272","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl6 N2 Si -","- C25 H36 Cl6 N2 Si -","- C200 H288 Cl48 N16 Si8 -","8","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","1.54178","CuKα","","0.0912","0.0568","","","0.1454","0.1648","","","","","","1.05","","","","has coordinates,has disorder","283186","2023-05-05","01:12:09",""
"1568680","18.1535","0.0009","11.2621","0.0005","20.3773","0.001","90","","90","","90","","4166.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Yang, Qingjing; Zhou, Jian; Wang, Jun Joelle","Enantioselective copper-catalyzed hydrophosphination of alkenyl isoquinolines.","Chemical science","2023","14","16","4413","4417","10.1039/d2sc06950d","","x-ray","0.71073","MoKα","","0.064","0.0414","","","0.0988","0.1101","","","","","","1.025","","","","has coordinates","283167","2023-05-05","01:05:37",""
"1568700","9.7712","0.0005","9.0593","0.0004","17.7198","0.001","90","","90","","90","","1568.56","0.14","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","MPHTZ","5-p-tolyl-1H-tetrazole","","- C8 H8 N4 -","- C8 H8 N4 -","- C64 H64 N32 -","8","1","","Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji","Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.","Materials horizons","2023","10","6","2149","2159","10.1039/d2mh01530g","","","0.71073","MoKα","","0.0524","0.0411","","","0.1334","0.1413","","","","","","1.092","","","","has coordinates","284983","2023-07-05","11:06:14",""
"1568738","20.34","0.005","11.791","0.003","22.744","0.006","90","","90","","90","","5455","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H39 B Si2 -","- C27 H39 B Si2 -","- C216 H312 B8 Si16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0468","0.0382","","","0.1064","0.114","","","","","","1.073","","","","has coordinates","284214","2023-06-05","03:57:31",""
"1568782","14.6426","0.0007","20.0946","0.0013","32.345","0.002","90","","90","","90","","9517.1","1","223","2","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H47 N9 O14 Zn -","- C51 H47 N9 O14 Zn -","- C408 H376 N72 O112 Zn8 -","8","1","","Pook, Niels-Patrick","Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations","Crystals","2023","13","4","569","","10.3390/cryst13040569","","","0.71073","MoKα","","0.1277","0.0536","","","0.0948","0.1162","","","","","","0.908","","","","has coordinates","282348","2023-04-04","13:04:38",""
"1568838","17.4227","0.0001","14.0371","0.0001","43.5602","0.0004","90","","90","","90","","10653.3","0.14","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Au N2 -","- C29 H35 Au N2 -","- C464 H560 Au16 N32 -","16","2","","Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime","Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media","Chemical Science","2023","14","17","4485","4494","10.1039/D3SC00373F","","x-ray","1.54184","CuKα","","0.0412","0.0351","","","0.0883","0.0924","","","","","","1.045","","","","has coordinates","283148","2023-05-05","00:53:50",""
"1568866","9.33514","0.00008","11.39118","0.00009","13.23961","0.00011","90","","90","","90","","1407.88","0.02","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Trimethylphosphine oxide dihydrate","(Dimethylphosphoryl)methane dihydrate","","- C3 H13 O3 P -","- C3 H13 O3 P -","- C24 H104 O24 P8 -","8","1","HB4428","Urlep, Matic; Cerkovnik, Janez; Lozinšek, Matic","Trimethylphosphine oxide dihydrate","IUCrData","2023","8","4","","","10.1107/S2414314623003140","","x-ray","1.54184","CuKα","","0.0212","0.0208","","","0.0571","0.0574","","","","","","1.042","","","","has coordinates","282654","2023-04-15","02:01:15",""
"1568872","26.1402","0.0008","17.811","0.0004","27.9689","0.0006","90","","90","","90","","13021.8","0.6","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H93 Cl Fe Ga N4 P5 Si -","- C60 H93 Cl Fe Ga N4 P5 Si -","- C480 H744 Cl8 Fe8 Ga8 N32 P40 Si8 -","8","1","","Sun, Xiaofei; Hinz, Alexander; Schulz, Stephan; Zimmermann, Lisa; Scheer, Manfred; Roesky, Peter W.","Snapshots of sequential polyphosphide rearrangement upon metallatetrylene addition.","Chemical science","2023","14","18","4769","4776","10.1039/d3sc00806a","","x-ray","0.71073","MoKα","","0.0638","0.0399","","","0.0934","0.1035","","","","","","1.022","","","","has coordinates","284238","2023-06-05","04:09:24",""
"1568881","12.782","0.003","7.6564","0.0015","32.715","0.007","90","","90","","90","","3201.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","","Young, Taylor B.; Guppy, Owaen G.; Draper, Alysia J.; Whitington, Joshua M.; Kariuki, Benson M.; Paul, Alison; Eaton, Mark; Pope, Simon J. A.; Ward, Benjamin D.","Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides","Polymer Chemistry","2023","14","20","2478","2484","10.1039/D3PY00209H","","","0.71073","MoKα","","0.087","0.0764","","","0.2052","0.2115","","","","","","1.187","","","","has coordinates,has disorder","284344","2023-06-05","05:02:00",""
"1568884","17.4083","0.0003","18.0287","0.0004","28.2153","0.0005","90","","90","","90","","8855.3","0.3","101","2","101.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H66 Al O2 P -","- C50 H66 Al O2 P -","- C400 H528 Al8 O16 P8 -","8","1","","Chen, Zhikang; Zhao, Wuchao; Liu, Conglei; Jiang, Liuying; Fu, Gang; Zhang, Yuetao; Zhu, Hongping","Phosphonium ylide/organoaluminum-based Lewis pairs for the highly efficient living/controlled polymerization of alkyl (meth)acrylates","Polymer Chemistry","2023","14","19","2344","2354","10.1039/D3PY00301A","","","1.54184","CuKα","","0.0367","0.0345","","","0.0912","0.0927","","","","","","1.03","","","","has coordinates","284343","2023-06-05","05:01:45",""
"1568891","10.7527","0.0004","10.0218","0.0003","30.3983","0.0011","90","","90","","90","","3275.8","0.2","230","0.1","230","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H29 N2 Rh -","- C16 H29 N2 Rh -","- C128 H232 N16 Rh8 -","8","1","","Zhou, Wei; Docherty, Scott R.; Ehinger, Christian; Zhou, Xiaoyu; Copéret, Christophe","The promotional role of Mn in CO<sub>2</sub> hydrogenation over Rh-based catalysts from a surface organometallic chemistry approach.","Chemical science","2023","14","20","5379","5385","10.1039/d3sc01163a","","x-ray","1.54184","CuKα","","0.0384","0.0364","","","0.1018","0.1038","","","","","","1.043","","","","has coordinates,has disorder","284225","2023-06-05","04:03:00",""
"1568909","17.885","0.005","18.47","0.005","10.697","0.003","90","","90","","90","","3533.6","1.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H24 N6 O3 -","- C15 H24 N6 O3 -","- C120 H192 N48 O24 -","8","1","","Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.","Rational design and topochemical synthesis of polymorphs of a polymer.","Chemical science","2023","14","19","5132","5140","10.1039/d3sc00053b","","","0.71073","MoKα","","0.2678","0.1183","","","0.3016","0.4135","","","","","","1.144","","","","has coordinates,has disorder","284211","2023-06-05","03:55:19",""
"1568924","13.9343","0.0003","7.8657","0.0002","31.4425","0.0007","90","","90","","90","","3446.19","0.14","113","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H19 K O9 -","- C16 H19 K O9 -","- C128 H152 K8 O72 -","8","1","","Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.","Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.","IUCrJ","2023","10","3","","","10.1107/S205225252300266X","","","1.54178","CuKα","","0.0475","0.0454","","","0.1151","0.1165","","","","","","1.08","","","","has coordinates,has disorder","282789","2023-04-21","01:46:25",""
"1569054","11.6411","0.0001","18.6662","0.0001","33.6871","0.0002","90","","90","","90","","7320.04","0.09","99.99","0.1","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H59 B N3 Na O2 Si2 -","- C30.673 H58.346 B N3 Na O1.673 Si2 -","- C245.384 H466.768 B8 N24 Na8 O13.384 Si16 -","8","1","","Tortajada, Andreu; Bole, Leonie J.; Mu, Manting; Stanford, Martin; Peñas-Defrutos, Marconi N; García-Melchor, Max; Hevia, Eva","Sodium mediated deprotonative borylation of arenes using sterically demanding B(CH<sub>2</sub>SiMe<sub>3</sub>)<sub>3</sub>: unlocking polybasic behaviour and competing lateral borane sodiation.","Chemical science","2023","14","24","6538","6545","10.1039/d3sc01705b","","","1.54184","CuKα","","0.0469","0.0459","","","0.1074","0.108","","","","","","1.136","","","","has coordinates,has disorder","284883","2023-07-05","09:35:14",""
"1569095","16.8473","0.0019","16.475","0.0019","37.556","0.004","90","","90","","90","","10424","2","150","2","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H62 Cl3 O4 P -","- C59 H62 Cl3 O4 P -","- C472 H496 Cl24 O32 P8 -","8","1","","","","","","","","","","10.1039/D3DT00612C","","","0.71069","MoKα","","0.1228","0.0967","","","0.2774","0.2991","","","","","","1.076","","","","has coordinates,has disorder","283666","2023-05-10","22:48:19",""
"1569101","14.2995","0.0007","19.0824","0.0006","26.3974","0.0008","90","","90","","90","","7203","0.5","123","","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","MR-360","","- C30 H58 N6 S2 Si -","- C30 H58 N6 S2 Si -","- C240 H464 N48 S16 Si8 -","8","1","","","","","","","","","","10.1039/D3DT00850A","","","0.71073","MoKα","","0.0893","0.058","","","0.1469","0.162","","","","","","0.931","","","","has coordinates","283668","2023-05-10","22:50:00",""
"1569109","9.7117","0.0006","17.1656","0.0011","19.8546","0.0013","90","","90","","90","","3309.9","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C176 H144 O32 -","8","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","0.71073","MoKα","","0.0476","0.0417","","","0.1076","0.1131","","","","","","1.041","","","","has coordinates","284911","2023-07-05","09:56:03",""
"1569171","22.07209","0.00013","19.9537","0.00013","24.4522","0.00016","90","","90","","90","","10769.2","0.12","125","7","125","7","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H86 Al K N4 O2 Si2 -","- C54 H86 Al K N4 O2 Si2 -","- C432 H688 Al8 K8 N32 O16 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0365","0.0346","","","0.0929","0.095","","","","","","1.033","","","","has coordinates","284906","2023-07-05","09:49:15",""
"1569193","8.5815","0.0002","23.7567","0.0005","38.1133","0.0012","90","","90","","90","","7770.1","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","- C299 H342 Cl22 N48 O16 -","1","0.125","","Guo, Weihan; Wang, Mingda; Si, Leilei; Wang, Yigang; Xia, Guomin; Wang, Hongming","Precise peripheral design enables propeller-like squaraine dye with highly sensitive and wide-range piezochromism.","Chemical science","2023","14","23","6348","6354","10.1039/d3sc01730c","","x-ray","1.54184","CuKα","","0.1221","0.0915","","","0.239","0.2588","","","","","","1.13","","","","has coordinates,has disorder","284908","2023-07-05","09:55:02",""
"1569214","7.9842","0.0004","21.6573","0.0012","21.6791","0.0011","90","","90","","90","","3748.7","0.3","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cycloheptanone","3-phenyl-3-(2,4,6-trimethoxyphenyl)cycloheptan-1-one","","- C22 H26 O4 -","- C22 H26 O4 -","- C176 H208 O32 -","8","1","","Singha, Tushar; Kadam, Ganesh Arjun; Hari, Durga Prasad","Photocatalyzed Dowd-Beckwith radical-polar crossover reaction for the synthesis of medium-sized carbocyclic compounds.","Chemical science","2023","14","25","6930","6935","10.1039/d3sc01908j","","","0.71073","MoKα","","0.0734","0.0688","","","0.1436","0.1459","","","","","","1.289","","","","has coordinates","284899","2023-07-05","09:44:56",""
"1569226","10.3513","0.0004","9.1559","0.0003","28.7456","0.0008","90","","90","","90","","2724.38","0.16","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F5 N2 O2 Pd -","- C11 H9 F5 N2 O2 Pd -","- C88 H72 F40 N16 O16 Pd8 -","8","1","","Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C","Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.","Chemical science","2023","14","24","6688","6694","10.1039/d3sc02076b","","","0.71073","MoKα","","0.0694","0.0384","","","0.0716","0.0869","","","","","","1.079","","","","has coordinates","284882","2023-07-05","09:34:02",""
"1569258","8.0518","0.0002","17.65","0.0004","26.8891","0.0006","90","","90","","90","","3821.32","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 F N3 O S -","- C21 H20 F N3 O S -","- C168 H160 F8 N24 O8 S8 -","8","1","","Zhang, Wen-Hui; Chen, Zi-Yue; Liu, Ren-Ming; Liu, Xiong-Wei; Pan, Bo-Wen; Zhou, Jian; Zhou, Ying; Tian, You-Ping; Liu, Xiong-Li","Trimethylindolenines as C–N synthons for the assembly of spiro[oxindole-thioxoimidazolidine-indoline] hybrids in formal [3+2] cycloadditions","New Journal of Chemistry","2023","47","26","12296","12303","10.1039/D3NJ00901G","","x-ray","1.54178","CuKα","","0.0542","0.0512","","","0.1384","0.1418","","","","","","1.036","","","","has coordinates","284941","2023-07-05","10:34:47",""
"1569469","17.4042","0.0003","16.0025","0.0003","13.5595","0.0002","90","","90","","90","","3776.47","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 Mn0.03 O23 P2 U3 -","- Ca2 H14 Mn0.025 O23 P2 U3 -","- Ca16 H112 Mn0.2 O184 P16 U24 -","8","1","","Gurzhiy, Vladislav V.; Burakov, Boris E.; Zubekhina, Bella Yu.; Kasatkin, Anatoly V.","Evolution of Chernobyl Corium in Water: Formation of Secondary Uranyl Phases","Materials","2023","16","13","4533","","10.3390/ma16134533","","x-ray","0.71073","MoKα","","0.0273","0.0203","","","0.036","0.0373","","","","","","1.028","","","","has coordinates","285028","2023-07-06","05:00:28",""
"1569590","10.3939","0.0001","17.668","0.0002","17.6653","0.0002","90","","90","","90","","3244.05","0.06","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(5-Cyanononan-5-yl)benzamide","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C136 H192 N16 O8 -","8","1","BV4049","Song, Xueqing; Li, William","N-(5-Cyanononan-5-yl)benzamide","IUCrData","2023","8","7","","","10.1107/S2414314623006399","","","1.54184","CuKα","","0.0479","0.0427","","","0.1088","0.1121","","","","","","1.079","","","","has coordinates","285387","2023-07-29","02:14:14",""
"1569646","15.73","0.0002","18.2546","0.0004","17.1794","0.0003","90","","90","","90","","4932.98","0.15","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H21 Cl Cu Ge N4 O4 -","- C26 H21 Cl Cu Ge N4 O4 -","- C208 H168 Cl8 Cu8 Ge8 N32 O32 -","8","1","","Wagler, Jörg; Gericke, Robert","Ge-Cu-Complexes Ph(pyO)Ge(μ<sup>2</sup>-pyO)<sub>2</sub>CuCl and PhGe(μ<sup>2</sup>-pyO)<sub>4</sub>CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.","Molecules (Basel, Switzerland)","2023","28","14","5442","","10.3390/molecules28145442","","","0.71073","MoKα","","0.0509","0.0356","","","0.0761","0.0817","","","","","","1.085","","","","has coordinates","285567","2023-08-06","05:07:56",""
"1569662","16.2645","0.0016","7.8297","0.0007","22.819","0.002","90","","90","","90","","2905.9","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Methoxyphenyl)-9<i>H</i>-carbazole","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","HB4441","Ganesan, Prabhu; Jasmine, Nithianantham Jeeva; Darious, Robert Swinton; Soundararajan, Krishnan; Rajalingam, Renganathan","9-(4-Methoxyphenyl)-9H-carbazole","IUCrData","2023","8","8","","","10.1107/S2414314623006740","","","0.71073","MoKα","","0.1039","0.0458","","","0.102","0.1355","","","","","","1.082","","","","has coordinates","285623","2023-08-11","02:08:54",""
"1569701","9.0013","0.0018","16.186","0.003","21.094","0.004","90","","90","","90","","3073.3","1","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Bolotova, Iumzhana A.; Ustyuzhanin, Alexander O.; Sergeeva, Ekaterina S.; Faizdrakhmanova, Anna A.; Hai, Yu; Stepanov, Andrey V.; Ushakov, Igor A.; Lyssenko, Konstantin A.; You, Lei; Lvov, Andrey G.","2,3-Diarylmaleate salts as a versatile class of diarylethenes with a full spectrum of photoactivity in water.","Chemical science","2023","14","35","9553","9559","10.1039/d3sc02165c","","","0.71073","MoKα","","0.0959","0.0667","","","0.156","0.1741","","","","","","1.049","","","","has coordinates,has disorder","286716","2023-10-05","23:52:32",""
"1569743","9.3359","0.0013","10.169","0.003","20.658","0.003","90","","90","","90","","1961.2","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C80 H104 N8 O24 -","8","1","","Malik, Monika; Senatore, Raffaele; Langer, Thierry; Holzer, Wolfgang; Pace, Vittorio","Base-mediated homologative rearrangement of nitrogen-oxygen bonds of <i>N</i>-methyl-<i>N</i>-oxyamides.","Chemical science","2023","14","37","10140","10146","10.1039/d3sc03216g","","x-ray","1.54186","CuKα","","0.056","0.0549","","","0.1523","0.1541","","","","","","1.051","","","","has coordinates","286698","2023-10-05","23:43:41",""
"1569808","14.6614","0.0005","15.9147","0.0006","18.0194","0.0007","90","","90","","90","","4204.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N9 O S2 -","- C16 H17 Cd N9 O S2 -","- C128 H136 Cd8 N72 O8 S16 -","8","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0533","0.0297","","","0.0619","0.075","","","","","","1.099","","","","has coordinates","286225","2023-09-06","03:36:41",""
"1569841","13.9731","0.0005","16.3251","0.0005","37.9097","0.0013","90","","90","","90","","8647.7","0.5","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C344 H504 Cl8 Fe8 N56 O32 -","8","1","","Jana, Sandipan; De, Puja; Dey, Chinmay; Dey, Somdatta Ghosh; Dey, Abhishek; Gupta, Sayam Sen","Highly regioselective oxidation of C-H bonds in water using hydrogen peroxide by a cytochrome P450 mimicking iron complex.","Chemical science","2023","14","38","10515","10523","10.1039/d3sc03495j","","","0.71073","MoKα","","0.0389","0.0355","","","0.0911","0.0929","","","","","","1.082","","","","has coordinates","287324","2023-11-06","07:04:04",""
"1569870","7.522","0.003","7.375","0.003","25.795","0.011","90","","90","","90","","1431","1","120.01","","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 Mo N2 O3 -","- C5 H4 Mo N2 O3 -","- C40 H32 Mo8 N16 O24 -","8","1","","Dayaratne, W Lakna N; Torres-Cadena, Raúl; Schmitt, Bennett P.; Westrick, Emma M.; Jaffe, Adam","Hybrid bronzes: mixed-valence organic-inorganic metal oxides as a tunable material platform.","Chemical science","2023","14","39","10756","10767","10.1039/d3sc03828a","","","0.71073","MoKα","","0.0969","0.0814","","","0.1693","0.1753","","","","","","1.211","","","","has coordinates","287307","2023-11-06","06:51:17",""
"1569882","17.6227","0.0004","18.3009","0.0004","18.5577","0.0004","90","","90","","90","","5985.1","0.2","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H37 N2 O2 Rh -","- C37 H37 N2 O2 Rh -","- C296 H296 N16 O16 Rh8 -","8","1","","Hirako, Naohiro; Yasui, Takeshi; Yamamoto, Yoshihiko","Rh(iii)-catalyzed highly site- and regio-selective alkenyl C-H activation/annulation of 4-amino-2-quinolones with alkynes <i>via</i> reversible alkyne insertion.","Chemical science","2023","14","39","10971","10978","10.1039/d3sc03987k","","","1.54187","CuKα","","0.0632","0.0511","","","0.1171","0.1233","","","","","","1.115","","","","has coordinates","287311","2023-11-06","06:57:13",""
"1569977","17.0351","0.0002","7.02387","0.0001","27.7571","0.0004","90","","90","","90","","3321.2","0.08","100.09","0.1","100.09","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H15 B F2 N4 O -","- C19 H15 B F2 N4 O -","- C152 H120 B8 F16 N32 O8 -","8","1","","Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.","Visible light activated energy storage in solid-state Azo-BF<sub>2</sub> switches.","Chemical science","2023","14","41","11359","11364","10.1039/d3sc03465h","","x-ray","1.54184","CuKα","","0.0451","0.0373","","","0.0891","0.093","","","","","","1.073","","","","has coordinates","287291","2023-11-06","06:38:49",""
"1570053","21.789","0.003","9.5494","0.0012","22.2","0.003","90","","90","","90","","4619.2","1.1","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate],","","- C25 H29 N3 Ni O6 -","- C25 H29 N3 Ni O6 -","- C200 H232 N24 Ni8 O48 -","8","1","BH4079","Travis, Jamelah Z.; LaDuca, Robert L.","Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology","IUCrData","2023","8","10","","","10.1107/S2414314623008696","","","0.71073","MoKα","","0.0709","0.0479","","","0.1195","0.1338","","","","","","1.053","","","","has coordinates","286822","2023-10-06","02:00:36",""
"1570100","15.1769","0.0004","5.8576","0.0002","25.2717","0.0007","90","","90","","90","","2246.66","0.12","108","3","108","3","","","","","","","","2","P b c a","-P 2ac 2ab","61","1-Methyl-3-(2-naphthyl)cyclopentadiene","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","1","ZL4062","Michailidis, Melina; Bonitatibus Jr, Peter J.","1-Methyl-3-(naphthalen-2-yl)cyclopentadiene","IUCrData","2023","8","10","","","10.1107/S2414314623008568","","x-ray","1.54184","CuKα","","0.0612","0.0536","","","0.1357","0.1411","","","","","","1.057","","","","has coordinates","286895","2023-10-11","02:22:43",""
"1570275","15.1833","0.0006","13.4972","0.0004","24.4882","0.0009","90","","90","","90","","5018.4","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H18 F6 Mn N6 O7 S2 -","- C21 H18 F6 Mn N6 O7 S2 -","- C168 H144 F48 Mn8 N48 O56 S16 -","8","1","","Mu, Ge; Gaynor, Ryan B.; McIntyre, Baylee N.; Donnadieu, Bruno; Creutz, Sidney E.","Synthesis and Characterization of Bipyridyl-(Imidazole)<sub>n</sub> Mn(II) Compounds and Their Evaluation as Potential Precatalysts for Water Oxidation.","Molecules (Basel, Switzerland)","2023","28","20","7221","","10.3390/molecules28207221","","","1.54178","CuKα","","0.1078","0.0816","","","0.1761","0.1905","","","","","","1.177","","","","has coordinates","287459","2023-11-07","02:59:47",""
"1570340","10.7719","0.0003","7.1215","0.0002","20.5604","0.0006","90","","90","","90","","1577.23","0.08","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzo[b]thien-2-yldifluoroborane","","- C8 H5 B F2 S -","- C8 H5 B F2 S -","- C64 H40 B8 F16 S8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.34139","GaKα","","0.0262","0.018","","","0.0361","0.0387","","","","","","1.0783","","","","has coordinates,has disorder","288759","2024-01-06","07:30:19",""
"1570344","14.178","0.0003","12.384","0.0003","19.5169","0.0004","90","","90","","90","","3426.78","0.13","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","boron tribromide - N,N-dimethyl-4-trimethylsilylaniline","","- C11 H19 B Br3 N Si -","- C11 H19 B Br3 N Si -","- C88 H152 B8 Br24 N8 Si8 -","8","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.0446","0.0384","","","0.0926","0.102","","","","","","1.0599","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570368","36.1","0.6","19.23","0.07","7.97","0.05","90","","90","","90","","5533","10","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","NO2-PDI","","","- C34 H29 N3 O6 -","- C34 H29 N3 O6 -","- C272 H232 N24 O48 -","8","1","","Mathew, Renny; Mazumder, Aniruddha; Kumar, Praveen; Matula, Julie; Mohamed, Sharmarke; Brazda, Petr; Hariharan, Mahesh; Thomas, Brijith","Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach.","Chemical science","2024","15","2","490","499","10.1039/d3sc05514k","","electron","0.0251","electron","","0.3278","0.223","","","0.2168","0.2289","","","","0","0","3.9855","","","","has coordinates","289415","2024-02-04","11:31:20",""
"1570471","6.6336","0.0003","10.5499","0.0006","18.8351","0.0015","90","","90","","90","","1318.15","0.14","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","0.71073","MoKα","","0.0597","0.0426","","","0.1085","0.1181","","","","","","1.025","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570506","17.716","0.008","17.001","0.007","27.332","0.012","90","","90","","90","","8232","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H57 Cl3 N4 O2 Pt -","- C42 H57 Cl3 N4 O2 Pt -","- C336 H456 Cl24 N32 O16 Pt8 -","8","1","","Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu","Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.","Chemical science","2024","15","3","964","973","10.1039/d3sc04564a","","","0.71073","MoKα","","0.125","0.0964","","","0.2422","0.2688","","","","","","1.026","","","","has coordinates,has disorder","289429","2024-02-04","11:34:40",""
"1570529","12.8509","0.0002","12.404","0.0002","21.802","0.0004","90","","90","","90","","3475.29","0.1","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 S3 Si -","- C19 H16 S3 Si -","- C152 H128 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.0401","0.0304","","","0.0714","0.0774","","","","","","1.042","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570532","21.1138","0.0008","7.7627","0.0002","24.2285","0.0008","90","","90","","90","","3971.1","0.2","150","2","149.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 S3 Si -","- C23 H18 S3 Si -","- C184 H144 S24 Si8 -","8","1","","Sun, Zhen; Xu, Wan; Qiu, Shuai; Ma, Zhiying; Li, Chunli; Zhang, Sheng; Wang, Hua","Thia[<i>n</i>]helicenes with long persistent phosphorescence.","Chemical science","2024","15","3","1077","1087","10.1039/d3sc05480b","","","0.71073","MoKα","","0.059","0.045","","","0.1133","0.1254","","","","","","1.038","","","","has coordinates","289434","2024-02-04","11:36:01",""
"1570556","14.1876","0.0004","14.5939","0.0003","26.9748","0.0005","90","","90","","90","","5585.2","0.2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Fe N2 O2 Zn -","- C30 H34 Fe N2 O2 Zn -","- C240 H272 Fe8 N16 O16 Zn8 -","8","1","","Perez-Jimenez, Marina; Crimmin, Mark R.","Photochemical H<sub>2</sub> activation by an Zn-Fe heterometallic: a mechanistic investigation.","Chemical science","2024","15","4","1424","1430","10.1039/d3sc05966a","","x-ray","1.54184","CuKα","","0.06","0.041","","","0.0905","0.104","","","","","","1.034","","","","has coordinates","289407","2024-02-04","11:30:02",""
"1570705","10.9589","0.0004","9.328","0.0004","12.7255","0.0006","90","","90","","90","","1300.86","0.1","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","<i>rac</i>-Hydroxyisovaleric acid","<i>rac</i>-2-Hydroxy-3-methylbutanoic acid","","- C5 H10 O3 -","- C5 H10 O3 -","- C40 H80 O24 -","8","1","BT4145","Dasi, Lukhanyo; Hosten, Eric Cyriel; Betz, Richard","rac-Hydroxyisovaleric acid","IUCrData","2024","9","1","","","10.1107/S2414314623010933","","","0.71073","MoKα","","0.0425","0.0354","","","0.1011","0.1069","","","","","","1.049","","","","has coordinates","288716","2024-01-06","02:46:42",""
"1570796","15.7456","0.0003","16.8545","0.0004","19.8172","0.0005","90","","90","","90","","5259.2","0.2","100.1","0.3","100.1","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(SIMes)AgMes","","- C30 H37 Ag N2 -","- C30 H37 Ag N2 -","- C240 H296 Ag8 N16 -","8","1","","Hansen, Colin; Docherty, Scott R.; Cao, Weicheng; Yakimov, Alexander V.; Copéret, Christophe","<sup>109</sup>Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials.","Chemical science","2024","15","8","3028","3032","10.1039/d3sc04067d","","x-ray","1.54184","CuKα","","0.0384","0.0372","","","0.1024","0.1035","","","","","","1.088","","","","has coordinates","290116","2024-03-04","19:59:34",""
"1570878","13.254","0.003","11.559","0.0016","38.103","0.005","90","","90","","90","","5837.5","1.7","296","2","296.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 O -","- C37 H38 O -","- C296 H304 O8 -","8","1","","Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian","Controllable π-π coupling of intramolecular dimer models in aggregated states.","Chemical science","2024","15","12","4364","4373","10.1039/d3sc05533g","","","0.71073","MoKα","","0.0975","0.058","","","0.1279","0.1495","","","","","","1.0934","","","","has coordinates,has disorder","290864","2024-04-04","22:56:31",""
"1570921","7.4526","0.0003","17.5917","0.0007","18.3383","0.0008","90","","90","","90","","2404.22","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pt S -","- C9 H13 Cl2 N3 Pt S -","- C72 H104 Cl16 N24 Pt8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.052","0.029","","","0.0499","0.0555","","","","","","1.027","","","","has coordinates","289700","2024-02-05","16:24:34",""
"1570922","7.4256","0.0004","17.6074","0.0012","18.3241","0.0013","90","","90","","90","","2395.8","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pd S -","- C9 H13 Cl2 N3 Pd S -","- C72 H104 Cl16 N24 Pd8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.","Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines","Pharmaceutics","2023","15","","696","","10.3390/pharmaceutics15020696","","","0.71073","MoKα","","0.0396","0.0335","","","0.0787","0.085","","","","","","1.084","","","","has coordinates","289701","2024-02-05","16:47:25",""
"1571009","27.053","0.004","19.227","0.003","27.643","0.004","90","","90","","90","","14378","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl Fe2 N7 Si3 Zn -","- C58 H102 Cl Fe2.0001 N7 Si3 Zn0.9999 -","- C464 H816 Cl8 Fe16.0008 N56 Si24 Zn7.9992 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0954","0.0563","","","0.1149","0.1307","","","","","","1.021","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571013","27.1744","0.0009","19.1482","0.0007","27.5979","0.001","90","","90","","90","","14360.3","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H102 Cl N7 Si3 Zn3 -","- C58 H102 Cl N7 Si3 Zn3 -","- C464 H816 Cl8 N56 Si24 Zn24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0528","0.0332","","","0.0721","0.0791","","","","","","1.028","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571014","26.839","0.003","19.358","0.002","27.601","0.004","90","","90","","90","","14340","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H100 Cl Fe3 N7 Si3 -","- C57 H100 Cl Fe3 N7 Si3 -","- C456 H800 Cl8 Fe24 N56 Si24 -","8","1","","Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.","Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.","Chemical science","2024","15","21","8242","8248","10.1039/d3sc03606e","","","0.71073","MoKα","","0.0574","0.0426","","","0.1161","0.1258","","","","","","1.04","","","","has coordinates,has disorder","292936","2024-07-05","15:10:41",""
"1571021","10.767","0.0002","12.8036","0.0005","18.9389","0.0008","90","","90","","90","","2610.85","0.16","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 B N O2 -","- C14 H20 B N O2 -","- C112 H160 B8 N8 O16 -","8","1","","Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault","Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration","Catalysis Science & Technology","2024","14","7","1848","1853","10.1039/D3CY01702H","","","0.71073","MoKα","","0.0466","0.0392","","","0.0962","0.1011","","","","","","1.045","","","","has coordinates","290795","2024-04-04","22:21:22",""
"1571064","10.1637","0.0006","19.7936","0.0011","25.9343","0.0016","90","","90","","90","","5217.4","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Br2 N4 O -","- C27 H24 Br2 N4 O -","- C216 H192 Br16 N32 O8 -","8","1","","Ballav, Nityananda; Saha, Shib Nath; Yadav, Shailesh; Baidya, Mahiuddin","Three-component dicarbofunctionalization of allylamines <i>via</i> nucleopalladation pathway: unlocking vicinal and geminal selectivity.","Chemical science","2024","15","13","4890","4896","10.1039/d4sc00607k","","","0.71073","MoKα","","0.0903","0.0531","","","0.1253","0.1443","","","","","","1.048","","","","has coordinates","290848","2024-04-04","22:49:12",""
"1571083","8.4826","0.0008","17.7973","0.0016","37.589","0.005","90","","90","","90","","5674.7","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Au B P -","- C30 H45 Au B P -","- C240 H360 Au8 B8 P8 -","8","1","","Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier","Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.","Chemical science","2024","15","14","5187","5191","10.1039/d3sc06193k","","","0.71073","MoKα","","0.0337","0.0224","","","0.0495","0.0528","","","","","","1.038","","","","has coordinates","291577","2024-05-05","01:53:50",""
"1571207","15.1125","0.0003","20.187","0.0005","27.1948","0.0006","90","","90","","90","","8296.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C31 H56 Au2 Cl6 N2 P2 Ti -","- C248 H448 Au16 Cl48 N16 P16 Ti8 -","8","1","","Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J","Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.","Chemical science","2024","15","15","5555","5563","10.1039/d3sc06789k","","","0.71073","MoKα","","0.0669","0.0373","","","0.0739","0.083","","","","","","1.03","","","","has coordinates","291584","2024-05-05","01:59:14",""
"1571244","8.489","0.0012","16.4","0.002","27.936","0.003","90","","90","","90","","3889.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine","","- C26 H18 Br N -","- C26 H18 Br N -","- C208 H144 Br8 N8 -","8","1","HB4462","Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria","10-Bromo-N,N-diphenylanthracen-9-amine","IUCrData","2024","9","3","","","10.1107/S2414314624002074","","","0.71073","MoKα","","0.0993","0.0525","","","0.0886","0.1094","","","","","","1.077","","","","has coordinates","290479","2024-03-13","03:23:06",""
"1571292","26.4396","0.0002","12.2954","0.00011","32.4346","0.0003","90","","90","","90","","10544","0.16","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C100 H122 Ag2 N4 O14 S8 Zr2 -","- C400 H488 Ag8 N16 O56 S32 Zr8 -","4","0.5","","Li, Liang-Jun; Mu, Wen-Lei; Tian, Yi-Qi; Yu, Wei-Dong; Li, Lan-Yan; Yan, Jun; Liu, Chao","Ag<sup>1+</sup> incorporation <i>via</i> a Zr<sup>4+</sup>-anchored metalloligand: fine-tuning catalytic Ag sites in Zr/Ag bimetallic clusters for enhanced eCO<sub>2</sub>RR-to-CO activity.","Chemical science","2024","15","20","7643","7650","10.1039/d3sc07005k","","x-ray","1.54184","CuKα","","0.0418","0.0354","","","0.0915","0.0957","","","","","","1.028","","","","has coordinates,has disorder","292907","2024-07-05","15:02:50",""
"1571299","22.7125","0.0003","7.217","0.0001","22.9642","0.0003","90","","90","","90","","3764.2","0.09","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H24 O -","- C26 H24 O -","- C208 H192 O8 -","8","1","","Lu, Yi-Nan; Che, Chao; Zhen, Guangjin; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang","Visible-light-enabled stereoselective synthesis of functionalized cyclohexylamine derivatives <i>via</i> [4 + 2] cycloadditions.","Chemical science","2024","15","17","6507","6514","10.1039/d4sc00667d","","x-ray","1.54184","CuKα","","0.0445","0.042","","","0.1107","0.1129","","","","","","1.036","","","","has coordinates","291564","2024-05-05","01:37:07",""
"1571318","20.9865","0.0004","19.1066","0.0005","25.5457","0.0005","90","","90","","90","","10243.3","0.4","200.15","","200.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H84 Fe N4 P4 Si4 Sm -","- C32 H84 Fe N4 P4 Si4 Sm -","- C256 H672 Fe8 N32 P32 Si32 Sm8 -","8","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides.","Chemical science","2024","15","18","6842","6852","10.1039/d4sc01050g","","x-ray","1.54184","CuKα","","0.0532","0.0378","","","0.0905","0.0995","","","","","","1.02","","","","has coordinates","292915","2024-07-05","15:06:05",""
"1571393","10.8324","0.0004","16.0987","0.0006","31.5748","0.001","90","","90","","90","","5506.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 F6 Ir N6 P -","- C30 H22 F6 Ir N6 P -","- C240 H176 F48 Ir8 N48 P8 -","8","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0478","0.0319","","","0.0599","0.0707","","","","","","1.219","","","","has coordinates","291084","2024-04-05","05:52:52",""
"1571442","21.0576","0.0008","12.2737","0.0005","23.5735","0.001","90","","90","","90","","6092.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2","","- C24 H33 B21 -","- C24 H33 B21 -","- C192 H264 B168 -","8","1","","Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.","Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.","Chemical science","2024","15","20","7568","7575","10.1039/d4sc00990h","","","0.71073","MoKα","","0.0649","0.0619","","","0.1513","0.1532","","","","","","1.088","","","","has coordinates","292905","2024-07-05","15:01:56",""
"1571449","8.3326","0.0002","12.8054","0.0003","32.7329","0.0008","90","","90","","90","","3492.67","0.14","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Br2 N2 O3 -","- C18 H16 Br2 N2 O3 -","- C144 H128 Br16 N16 O24 -","8","1","","Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu","Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.","Chemical science","2024","15","20","7603","7609","10.1039/d4sc01633e","","","0.81032","Synchrotron","","0.0505","0.05","","","0.1231","0.1234","","","","","","1.121","","","","has coordinates","292908","2024-07-05","15:03:15",""
"1571476","10.9082","0.0006","13.462","0.0007","28.21","0.0013","90","","90","","90","","4142.5","0.4","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.","Chemical science","2024","15","19","7300","7307","10.1039/d4sc00745j","","x-ray","1.54184","CuKα","","0.097","0.0661","","","0.231","0.2934","","","","","","1.132","","","","has coordinates","292887","2024-07-05","14:50:19",""
"1571479","6.021","0.002","26.469","0.01","26.963","0.01","90","","90","","90","","4297","3","170","2","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 Cl Si -","- C24 H29 Cl Si -","- C192 H232 Cl8 Si8 -","8","1","","Song, Yulong; Fu, Chunling; Zheng, Jian; Ma, Shengming","Copper-catalyzed remote double functionalization of allenynes.","Chemical science","2024","15","20","7789","7794","10.1039/d4sc00034j","","","0.71073","MoKα","","0.0628","0.0408","","","0.0897","0.1023","","","","","","1.03","","","","has coordinates","292903","2024-07-05","15:01:31",""
"1571488","8.297","0.0003","11.4089","0.0005","29.4395","0.0011","90","","90","","90","","2786.73","0.19","170.01","0.1","170.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Li, Hao-Ran; Ran, Yi-An; Zhu, Yu-Yi; Guo, Weisi; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Electrochemical stereoselective synthesis of polysubstituted 1,4-dicarbonyl <i>Z</i>-alkenes <i>via</i> three-component coupling of sulfoxonium ylides and alkynes with water.","Chemical science","2024","15","21","8156","8162","10.1039/d4sc01141d","","x-ray","0.71073","MoKα","","0.0509","0.041","","","0.1103","0.1158","","","","","","1.056","","","","has coordinates","292928","2024-07-05","15:08:32",""
"1571532","11.4231","0.0004","13.6228","0.0004","44.313","0.0018","90","","90","","90","","6895.8","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H36 N2 O2 -","- C45 H36 N2 O2 -","- C360 H288 N16 O16 -","8","1","","Grzelak, Magdalena; Kumar, Dharmendra; Kochman, Michał Andrzej; Morawiak, Maja; Wiosna-Sałyga, Gabriela; Kubas, Adam; Data, Przemysław; Lindner, Marcin","An unprecedented roll-off ratio in high-performing red TADF OLED emitters featuring 2,3-indole-annulated naphthalene imide and auxiliary donors.","Chemical science","2024","15","22","8404","8413","10.1039/d4sc01391c","","","1.54178","CuKα","","0.2581","0.0731","","","0.141","0.2068","","","","","","0.975","","","","has coordinates","292867","2024-07-05","14:08:17",""
"1571571","17.8946","0.0001","20.0899","0.0001","23.5547","0.0001","90","","90","","90","","8467.93","0.07","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C55 H53 O2 -","- C55 H53 O2 -","- C440 H424 O16 -","8","1","","Liu, Yu; Coles, Nathan T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L.","Mechanistic investigations of the Fe(ii) mediated synthesis of squaraines.","Chemical science","2024","15","25","9599","9611","10.1039/d4sc01286k","","x-ray","1.54184","CuKα","","0.0495","0.0475","","","0.1217","0.1232","","","","","","1.041","","","","has coordinates","292898","2024-07-05","15:00:33",""
"1571621","15.3128","0.0006","28.0479","0.001","28.7796","0.0011","90","","90","","90","","12360.6","0.8","260","","260","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","","0.71073","MoKα","","0.0702","0.0468","","","0.0886","0.0959","","","","","","1.114","","","","has coordinates,has disorder","292863","2024-07-05","14:06:07",""
"1571622","15.3837","0.001","27.856","0.002","28.739","0.0019","90","","90","","90","","12315.5","1.4","259.99","0.1","259.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1751","0.0692","","","0.1174","0.1651","","","","","","1.044","","","","has coordinates,has disorder","292863","2024-07-05","14:06:17",""
"1571623","27.6016","0.0006","28.7074","0.0008","15.346","0.0005","90","","90","","90","","12159.7","0.6","202.99","0.1","202.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 Fe2 N16 O2 -","- C64 H36 Au4 Fe2 N16 O2 -","- C512 H288 Au32 Fe16 N128 O16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","0.71073","MoKα","","0.1351","0.0899","","","0.1755","0.1985","","","","","","1.163","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571626","15.40415","0.00012","27.6501","0.0002","28.6347","0.0002","90","","90","","90","","12196.3","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0606","0.0547","","","0.1547","0.1578","","","","","","1.136","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571627","15.40179","0.00012","27.7406","0.0002","28.6941","0.0002","90","","90","","90","","12259.7","0.16","198","0.1","198","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0373","0.0328","","","0.08","0.0819","","","","","","1.064","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571629","15.40483","0.00013","27.6851","0.0002","28.6645","0.0002","90","","90","","90","","12225","0.16","145","0.1","145","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1359","0.1388","","","","","","1.116","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571630","15.4294","0.00011","27.7081","0.0002","28.7128","0.0002","90","","90","","90","","12275.3","0.15","203","0.1","203","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H36 Au4 N16 O2 Zn2 -","- C64 H36 Au4 N16 O2 Zn2 -","- C512 H288 Au32 N128 O16 Zn16 -","8","1","","Chen, Yan-Ru; Ying, Ting-Ting; Chen, Yan-Cong; Liao, Pei-Yu; Ni, Zhao-Ping; Tong, Ming-Liang","Bidirectional photomagnetism, exciplex fluorescence and dielectric anomalies in a spin crossover Hofmann-type coordination polymer.","Chemical science","2024","15","24","9240","9248","10.1039/d4sc00331d","","x-ray","1.54184","CuKα","","0.0739","0.07","","","0.1371","0.1386","","","","","","1.299","","","","has coordinates,has disorder","292863","2024-07-05","14:06:18",""
"1571650","18.9192","0.0002","25.1964","0.0004","43.0574","0.0005","90","","90","","90","","20525.3","0.5","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H134 Cl4 Mo9 N9 O31 P -","- C70 H134 Cl4 Mo9 N9 O31 P -","- C560 H1072 Cl32 Mo72 N72 O248 P8 -","8","1","","Sun, Haoran; Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke","Self-assembled molecular hybrids comprising lacunary polyoxometalates and multidentate imidazole ligands.","Chemical science","2024","15","24","9281","9286","10.1039/d4sc02384f","","x-ray","0.71073","MoKα","","0.0865","0.054","","","0.1368","0.1583","","","","","","1.033","","","","has coordinates","292857","2024-07-05","13:56:58",""
"1571662","10.9098","0.0009","25.502","0.002","31.388","0.003","90","","90","","90","","8732.8","1.3","193","2","193","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H43 B30 Cl4 N3 S3 -","- C16 H41 B30 Cl2 N3 S3 -","- C128 H328 B240 Cl16 N24 S24 -","8","1","","Liu, Xin-Ran; Cui, Peng-Fei; García-Rodeja, Yago; Solà, Miquel; Jin, Guo-Xin","Formation and reactivity of a unique M⋯C-H interaction stabilized by carborane cages.","Chemical science","2024","15","24","9274","9280","10.1039/d4sc01158a","","","1.34139","GaKα","","0.2144","0.144","","","0.377","0.4114","","","","","","1.053","","","","has coordinates,has disorder","292848","2024-07-05","13:54:05",""
"1571691","9.75307","0.00009","16.23315","0.00013","18.76027","0.00018","90","","90","","90","","2970.18","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O -","- C18 H21 N O -","- C144 H168 N8 O8 -","8","1","","Sui, Xianwei; Dang, Hang T.; Porey, Arka; Trevino, Ramon; Das, Arko; Fremin, Seth O.; Hughes, William B.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Acridine photocatalysis enables tricomponent direct decarboxylative amine construction.","Chemical science","2024","15","25","9582","9590","10.1039/d4sc02356k","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0899","0.0928","","","","","","1.019","","","","has coordinates","292902","2024-07-05","15:01:21",""
"1571719","20.7278","0.00013","13.75053","0.00009","25.09061","0.00016","90","","90","","90","","7151.28","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","TAzBN","","- C48 H36 B N3 -","- C48 H36 B N3 -","- C384 H288 B8 N24 -","8","1","","Chen, Yi-Kuan; Lei, Jian; Wu, Tien-Lin","Elevating the upconversion performance of a multiple resonance thermally activated delayed fluorescence emitter via an embedded azepine approach","Chemical Science","2024","15","26","10146","10154","10.1039/D4SC02351J","","x-ray","1.54184","CuKα","","0.0454","0.0408","","","0.1091","0.1125","","","","","","1.038","","","","has coordinates","292879","2024-07-05","14:14:24",""
"1571746","9.8802","0.0013","15.147","0.002","19.407","0.004","90","","90","","90","","2904.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H17 B10 Br N2 -","- C7 H17 B10 Br N2 -","- C56 H136 B80 Br8 N16 -","8","1","","Zhu, Mengjie; Wang, Puzhao; Wu, Zhengqiu; Zhong, Yangfa; Su, Laiman; Xin, Yuquan; Spokoyny, Alexander M.; Zou, Chao; Mu, Xin","A Pd-catalyzed route to carborane-fused boron heterocycles.","Chemical science","2024","15","27","10392","10401","10.1039/d4sc02214a","","","0.71073","MoKα","","0.0922","0.0492","","","0.1143","0.1395","","","","","","1.03","","","","has coordinates","293754","2024-08-05","18:01:57",""
"1571792","29.1132","0.0016","11.2694","0.0006","57.979","0.003","90","","90","","90","","19022.2","1.8","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C128 H88 Cl7.96 O4 -","- C128 H88 Cl7.961 O4 -","- C1024 H704 Cl63.688 O32 -","8","1","","Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong","Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.","Chemical science","2024","15","27","10519","10528","10.1039/d4sc02116a","","","1.54178","CuKα","","0.0473","0.0436","","","0.1117","0.1165","","","","","","1.031","","","","has coordinates","293762","2024-08-05","18:05:49",""
"1572016","16.0957","0.0002","11.6873","0.0001","20.2429","0.0002","90","","90","","90","","3808","0.07","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 P Sb -","- C13 H20 F10 P Sb -","- C104 H160 F80 P8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0337","0.0272","","","0.0589","0.0616","","","","","","1.031","","","","has coordinates,has disorder","293769","2024-08-05","18:09:47",""
"1572018","17.0497","0.0005","11.9276","0.0003","20.3495","0.0006","90","","90","","90","","4138.3","0.2","100","0.11","100","0.11","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H20 F10 O2 P S Sb -","- C13 H20 F10 O2 P S Sb -","- C104 H160 F80 O16 P8 S8 Sb8 -","8","1","","Krieft, Jonas; Trapp, Pia C.; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Lamm, Jan-Hendrik; Mitzel, Norbert W.","A geminal antimony(iii)/phosphorus(iii) frustrated Lewis pair.","Chemical science","2024","15","30","12118","12125","10.1039/d4sc02785j","","x-ray","0.71073","MoKα","","0.0453","0.032","","","0.0699","0.0751","","","","","","1.076","","","","has coordinates,has disorder","293769","2024-08-05","18:09:48",""
"1572065","18.6211","0.0006","16.9942","0.0004","32.0027","0.0008","90","","90","","90","","10127.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H28 F6 N2 O -","- C29 H28 F6 N2 O -","- C464 H448 F96 N32 O16 -","16","2","","Körner, Lukas; Bockfeld, Dirk; Bannenberg, Thomas; Tamm, Matthias","2,3-Diamino-4,5-diarylcyclopentadienone iron carbonyl complexes as catalysts for reductive amination reactions","Catalysis Science & Technology","2024","14","16","4522","4532","10.1039/D4CY00372A","","x-ray","1.54184","CuKα","","0.1081","0.0622","","","0.1503","0.1727","","","","","","1.015","","","","has coordinates,has disorder","294398","2024-09-05","22:48:24",""
"1572103","12.115","0.003","20.818","0.004","21.153","0.003","90","","90","","90","","5335","1.8","115","0.14","115","0.14","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H32 N2 O2 S -","- C33 H32 N2 O2 S -","- C264 H256 N16 O16 S8 -","8","1","","Xie, Kejing; Shen, Zeyuan; Cheng, Peng; Dong, Haoxiang; Yu, Zhi-Xiang; Zu, Liansuo","C-H functionalization of 2-alkyl tryptamines: direct assembly of azepino[4,5-<i>b</i>]indoles and total synthesis of ngouniensines.","Chemical science","2024","15","32","12732","12738","10.1039/d4sc02802c","","x-ray","0.71073","MoKα","","0.17","0.0783","","","0.1267","0.167","","","","","","1.029","","","","has coordinates","294468","2024-09-05","23:45:49",""
"1572201","13.9099","0.0008","8.0101","0.0004","14.4607","0.0008","90","","90","","90","","1611.21","0.15","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H12 B3 N -","- C5 H12 B3 N -","- C40 H96 B24 N8 -","8","1","","Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian","Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.","Chemical science","2024","15","34","13923","13929","10.1039/d4sc03109a","","x-ray","1.54184","CuKα","","0.0732","0.0546","","","0.139","0.1744","","","","","","1.141","","","","has coordinates","294495","2024-09-05","23:58:30",""
"1572217","11.9737","0.0002","16.1898","0.0003","22.2877","0.0003","90","","90","","90","","4320.51","0.12","179.99","0.1","179.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H12 F20 N6 O2 S2 -","- C46 H12 F20 N6 O2 S2 -","- C184 H48 F80 N24 O8 S8 -","4","0.5","","Zhu, Mengliang; Zhang, Hang; Yao, Yuhang; Wen, Mingpu; Ran, Guangliu; Yu, Yi; Zhang, Ruijing; Liang, Xing-Jie; Zhang, Jing; Zhang, Wenkai; Zhang, Jun-Long","More is different: progressive β-thiolation induced-porphyrin aggregation switches singlet oxygen photosensitization.","Chemical science","2024","15","34","13841","13852","10.1039/d4sc03642e","","x-ray","0.71073","MoKα","","0.0622","0.0498","","","0.1439","0.152","","","","","","1.034","","","","has coordinates","294493","2024-09-05","23:57:58",""
"1572260","16.63527","0.00013","10.0528","0.00009","21.90982","0.00017","90","","90","","90","","3664","0.05","99.99","0.1","99.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(S)-3-cyclopropyl-1-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropan-1-one","","- C23 H28 O -","- C23 H28 O -","- C184 H224 O8 -","8","1","","Sarkar, Koushik; Behera, Prativa; Roy, Lisa; Maji, Biplab","Manganese catalyzed chemo-selective synthesis of acyl cyclopentenes: a combined experimental and computational investigation.","Chemical science","2024","15","35","14287","14294","10.1039/d4sc02842b","","x-ray","1.54184","CuKα","","0.0474","0.0458","","","0.1261","0.1277","","","","","","1.05","","","","has coordinates","295198","2024-10-06","07:11:47",""
"1572323","19.3792","0.0003","19.2881","0.0002","20.2475","0.0002","90","","90","","90","","7568.27","0.16","122.99","0.1","122.99","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H56 Bi Ga N2 Si2 -","- C33 H56 Bi Ga N2 Si2 -","- C264 H448 Bi8 Ga8 N16 Si16 -","8","1","","Szlosek, Robert; Marquardt, Christian; Hegen, Oliver; Balázs, Gábor; Riesinger, Christoph; Timoshkin, Alexey Y.; Scheer, Manfred","Synthesis of bismuthanyl-substituted monomeric triel hydrides.","Chemical science","2024","15","36","14837","14843","10.1039/d4sc03926b","","x-ray","1.54184","CuKα","","0.0343","0.0323","","","0.0916","0.0929","","","","","","1.071","","","","has coordinates","295179","2024-10-06","07:00:15",""
"1572340","18.3733","0.0003","15.7455","0.0003","18.5165","0.0003","90","","90","","90","","5356.76","0.16","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H76 K2 N2 O10 Zn2 -","- C46 H76 K2 N2 O10 Zn2 -","- C184 H304 K8 N8 O40 Zn8 -","4","0.5","","Judge, Neil R.; Hevia, Eva","Combining two relatively weak bases (Zn(TMP)<sub>2</sub> and KO<i>t</i>Bu) for the regioselective metalation of non-activated arenes and heteroarenes.","Chemical science","2024","15","36","14757","14765","10.1039/d4sc03892d","","x-ray","1.54184","CuKα","","0.0525","0.0473","","","0.1317","0.1367","","","","","","1.077","","","","has coordinates,has disorder","295180","2024-10-06","07:00:50",""
"1572366","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2279","0.1936","","","0.4551","0.4737","","","","","","1.2582","","","","has coordinates","294150","2024-08-16","02:25:54",""
"1572367","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2275","0.1934","","","0.4556","0.4745","","","","","","1.2359","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572368","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2379","0.2045","","","0.4712","0.4905","","","","","","1.2336","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572369","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2098","0.1746","","","0.4012","0.4211","","","","","","1.0439","","","","has coordinates,has disorder","294150","2024-08-16","02:25:56",""
"1572370","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2101","0.1749","","","0.4009","0.4208","","","","","","1.044","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572371","15.19","0.003","13.39","0.003","16.369","0.003","90","","90","","90","","3329.4","1.2","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0305","0.0282","","","0.0801","0.0817","","","","","","1.0413","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572372","15.1898","0.0003","13.3897","0.0002","16.3685","0.0003","90","","90","","90","","3329.14","0.1","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0243","0.0217","","","0.0533","0.0545","","","","","","1.0437","","","","has coordinates,has disorder","294150","2024-08-16","02:25:56",""
"1572373","15.1898","0.0003","13.3897","0.0002","16.3685","0.0003","90","","90","","90","","3329.14","0.1","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0257","0.0232","","","0.0593","0.0604","","","","","","1.1402","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572536","19.1121","0.0013","13.8417","0.0009","30.0202","0.0017","90","","90","","90","","7941.7","0.9","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H42 N2 -","- C53 H42 N2 -","- C424 H336 N16 -","8","1","","Li, Qian; Guo, Yusong; Lan, Jingbo; Yang, Yudong; Wu, Di; Bin, Zhengyang","Spirobifluorene-based hole-transporting materials for RGB OLEDs with high efficiency and low efficiency roll-off.","Chemical science","2024","15","39","16096","16102","10.1039/d4sc04979a","","","0.71073","MoKα","","0.0877","0.0537","","","0.1284","0.1548","","","","","","1.039","","","","has coordinates","296403","2024-12-06","16:45:42",""
"1572550","16.1939","0.0014","15.9751","0.001","27.1492","0.0016","90","","90","","90","","7023.5","0.9","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 Hf N4 Si -","- C35 H50 Hf N4 Si -","- C280 H400 Hf8 N32 Si8 -","8","1","","Kulyabin, Pavel S.; Goryunov, Georgy P.; Iashin, Andrei N.; Mladentsev, Dmitry Y.; Uborsky, Dmitry V.; Ehm, Christian; Canich, Jo Ann M.; Hagadorn, John R.; Voskoboynikov, Alexander Z.","Reversible C-C bond formation in group 4 metal complexes: nitrile extrusion <i>via</i> β-aryl elimination.","Chemical science","2024","15","38","15825","15834","10.1039/d4sc02173h","","","0.71073","MoKα","","0.0661","0.0431","","","0.0846","0.0978","","","","","","1.036","","","","has coordinates","295201","2024-10-06","07:12:45",""
"1572575","15.4957","0.001","33.2381","0.0011","16.6711","0.0005","90","","90","","90","","8586.4","0.7","101","1","101","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H46 Br4 Mn P2 -","- C44 H46 Br4 Mn P2 -","- C352 H368 Br32 Mn8 P16 -","8","1","","Luo, Jian-Bin; Wei, Jun-Hua; He, Zi-Lin; Chen, Jing-Hua; Peng, Qing-Peng; Zhang, Zhi-Zhong; Kuang, Dai-Bin","Bisphosphonium cation based metal halide glass scintillators with tunable melting points.","Chemical science","2024","15","39","16338","16346","10.1039/d4sc04229h","","x-ray","0.71073","MoKα","","0.1148","0.081","","","0.2132","0.2368","","","","","","1.047","","","","has coordinates,has disorder","296404","2024-12-06","16:46:17",""
"1572645","15.3901","0.0011","15.6458","0.0009","19.214","0.0011","90","","90","","90","","4626.5","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Au Cl4 O2 P -","- C22 H20 Au Cl4 O2 P -","- C176 H160 Au8 Cl32 O16 P8 -","8","1","","León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier","Catechol/<i>o</i>-benzoquinone exchange at gold(iii).","Chemical science","2024","15","40","16651","16659","10.1039/d4sc04374j","","x-ray","1.54178","CuKα","","0.0247","0.0219","","","0.052","0.0534","","","","","","1.12","","","","has coordinates","296427","2024-12-06","16:55:54",""
"1572666","17.6667","0.0015","23.566","0.002","34.121","0.003","90","","90","","90","","14206","2","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H69 Cu F2 N2 O3 -","- C90 H69 Cu F2 N2 O3 -","- C720 H552 Cu8 F16 N16 O24 -","8","1","","Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone","Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.","Chemical science","2024","15","42","17481","17489","10.1039/d4sc02982h","","","0.71073","MoKα","","0.0644","0.046","","","0.1031","0.1129","","","","","","1.134","","","","has coordinates,has disorder","296386","2024-12-06","16:37:43",""
"1572674","17.9682","0.0003","9.4647","0.0001","23.1812","0.0005","90","","90","","90","","3942.28","0.12","130","2","130","0.02","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cu N8 O6 -","- C18 H16 Cu N8 O6 -","- C144 H128 Cu8 N64 O48 -","8","1","","Zabierowski, Piotr W.; Děkanovský, Lukáš; Mazánek, Vlastimil; Hodorowicz, Maciej; Sofer, Zdeněk","Functionalisation of graphite and thermally reduced graphene oxide with bis-hydrazone copper(I) nitrate salt.","Nanoscale","2024","16","40","18805","18810","10.1039/d4nr03456b","","x-ray","0.71073","MoKα","","0.0536","0.0402","","","0.0866","0.0934","","","","","","1.079","","","","has coordinates,has disorder","296623","2024-12-06","20:08:17",""
"1572685","12.0324","0.001","15.188","0.0013","16.2973","0.0014","90","","90","","90","","2978.3","0.4","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl2 N3 O Pd -","- C13 H15 Cl2 N3 O Pd -","- C104 H120 Cl16 N24 O8 Pd8 -","8","1","","Ionova, Violetta A.; Dmitrieva, Alena V.; Abel, Anton S.; Sergeev, Aleksandr D.; Evko, Grigory S.; Yakushev, Alexei A.; Gontcharenko, Victoria E.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Averin, Alexei D.; Magdesieva, Tatiana V.; Beletskaya, Irina P.","Di(pyridin-2-yl)amino-substituted 1,10-phenanthrolines and their Ru(II)-Pd(II) dinuclear complexes: synthesis, characterization and application in Cu-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2024","53","41","17021","17035","10.1039/d4dt02067g","","","0.71073","MoKα","","0.052","0.0429","","","0.107","0.1159","","","","","","1.041","","","","has coordinates","296510","2024-12-06","18:20:57",""
"1572701","8.589","0.0005","13.184","0.0008","39.0756","0.0017","90","","90","","90","","4424.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","DPDA","","- C25 H18 N3 O7 -","- C25 H18 N3 O7 -","- C200 H144 N24 O56 -","8","1","","Sun, Hui-Li; Zhang, Qiang-Sheng; Wang, Zhong-Hao; Huang, Yan-Ting; Pan, Mei","Long-persistent luminescence by host-guest Förster resonance energy transfer.","Chemical science","2024","15","42","17600","17607","10.1039/d4sc04746j","","x-ray","1.54184","CuKα","","0.0702","0.0489","","","0.1236","0.1362","","","","","","1.042","","","","has coordinates","296391","2024-12-06","16:39:18",""
"1572735","14.4403","0.0004","25.7841","0.0009","32.0022","0.0011","90","","90","","90","","11915.4","0.7","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H64 B4 N4 Se4.85 -","- C62 H64 B4 N4 Se4.8501 -","- C496 H512 B32 N32 Se38.8008 -","8","1","","Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko","Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.","Chemical science","2024","15","43","17912","17917","10.1039/d4sc05928j","","x-ray","0.71073","MoKα","","0.0941","0.0575","","","0.1209","0.1327","","","","","","1.071","","","","has coordinates,has disorder","296383","2024-12-06","16:36:17",""
"1572760","18.1198","0.0016","16.7592","0.0014","20.9767","0.0019","90","","90","","90","","6370.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H35 Cl2 N9 O8 Zn -","- C24 H35 Cl2 N9 O8 Zn -","- C192 H280 Cl16 N72 O64 Zn8 -","8","1","","Anju, Balakrishnan S.; Nair, Neeraja R.; Rajput, Janavi; Bertke, Jeffery A.; Mondal, Bhaskar; Kundu, Subrata","Role of ancillary ligands in <i>S</i>-nitrosothiol and NO generation from nitrite-thiol interactions at mononuclear zinc(ii) sites.","Chemical science","2024","15","43","18000","18007","10.1039/d4sc04853a","","","0.71073","MoKα","","0.1002","0.0695","","","0.1398","0.1539","","","","","","1.145","","","","has coordinates,has disorder","296381","2024-12-06","16:35:07",""
"1572771","12.0999","0.001","13.3302","0.001","25.993","0.002","90","","90","","90","","4192.5","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Cl N -","- C23 H35 B Cl N -","- C184 H280 B8 Cl8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0355","0.0327","","","0.0897","0.0924","","","","","","1.058","","","","has coordinates","296370","2024-12-06","16:30:15",""
"1572772","12.1571","0.0005","13.5618","0.0007","25.839","0.0013","90","","90","","90","","4260.1","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 B Br N -","- C23 H35 B Br N -","- C184 H280 B8 Br8 N8 -","8","1","","Zhang, Chonghe; Gilliard, Jr, Robert J; Cummins, Christopher C.","Arene extrusion as an approach to reductive elimination at boron: implication of carbene-ligated haloborylene as a transient reactive intermediate.","Chemical science","2024","15","43","17873","17880","10.1039/d4sc05524a","","","0.71073","MoKα","","0.0435","0.0421","","","0.1","0.1006","","","","","","1.093","","","","has coordinates,has disorder","296370","2024-12-06","16:30:15",""
"1572821","10.0967","0.0004","23.8308","0.001","24.3101","0.0011","90","","90","","90","","5849.3","0.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H27 B12 Br2 F3 N2 S -","- C18 H27 B12 Br2 F3 N2 S -","- C144 H216 B96 Br16 F24 N16 S8 -","8","1","","Zhong, Minling; Zhang, Jie; Xie, Zuowei","N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.","Chemical science","2024","15","43","18048","18051","10.1039/d4sc04980b","","","0.71073","MoKα","","0.0854","0.0553","","","0.119","0.1332","","","","","","1.058","","","","has coordinates","296371","2024-12-06","16:30:44",""
"1572842","12.151","0.0004","11.9324","0.0005","18.7244","0.0008","90","","90","","90","","2714.86","0.19","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H21 N5 -","- C13 H21 N5 -","- C104 H168 N40 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.0627","0.0474","","","0.1138","0.1207","","","","","","1.056","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572849","11.4307","0.0012","11.4548","0.0013","28.925","0.003","90","","90","","90","","3787.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H30 N4 O2 -","- C17 H30 N4 O2 -","- C136 H240 N32 O16 -","8","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C[double bond, length as m-dash]C bond formation, and access to N-heterocyclic methylenehydrazine.","Chemical science","2024","15","44","18387","18394","10.1039/d4sc05740f","","","0.71073","MoKα","","0.104","0.0608","","","0.1184","0.1396","","","","","","1.103","","","","has coordinates","296352","2024-12-06","16:20:42",""
"1572920","20.9037","0.0014","14.1564","0.0009","21.8058","0.0015","90","","90","","90","","6452.8","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H21 N2 P S2 -","- C38 H21 N2 P S2 -","- C304 H168 N16 P8 S16 -","8","1","","Li, Can; Zhou, Wei; Liu, Zhaoxin; Gao, Rong; Mi, Qixi; Ning, Zhijun; Ren, Yi","Non-innocent P-centers in nonbenzenoid polycyclic aromatic molecules with tunable structures and properties.","Chemical science","2024","15","44","18608","18616","10.1039/d4sc05857g","","","1.54178","CuKα","","0.0636","0.0628","","","0.1739","0.1754","","","","","","1.064","","","","has coordinates","296357","2024-12-06","16:22:15",""
"1572934","18.0631","0.0008","7.556","0.0003","22.9236","0.0011","90","","90","","90","","3128.7","0.2","281","2","281","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H11 B S3 -","- C20 H11 B S3 -","- C160 H88 B8 S24 -","8","1","","Du, Baoyun; Wu, Yuliang; Wang, Xingdong; Tian, Hongkun; Shao, Shiyang; Wang, Lixiang","Multi-resonance emitters with room-temperature phosphorescence in amorphous state and excited by visible light.","Chemical science","2024","15","46","19432","19442","10.1039/d4sc05383d","","","0.71073","MoKα","","0.0371","0.0305","","","0.0832","0.0893","","","","","","1.007","","","","has coordinates","296413","2024-12-06","16:50:19",""
"1573012","8.1524","0.0002","8.4349","0.0002","40.5242","0.0011","90","","90","","90","","2786.63","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H24 B2 F2 -","- C42 H24 B2 F2 -","- C168 H96 B8 F8 -","4","0.5","","Anitha, Mandala; Chin, To-Jen; Liu, Guan-Cheng; Hsieh, Chi-Tien; Wang, Kuan-Hua; Li, Shu-Li; Cheng, Mu-Jeng; Farrell, Jeffrey M.","Metal-free alkyne annulation enabling π-extension of boron-doped polycyclic aromatic hydrocarbons.","Chemical science","2024","15","39","16210","16215","10.1039/d4sc03781b","","","1.54178","CuKα","","0.0587","0.0524","","","0.1507","0.155","","","","","","1.106","","","","has coordinates","295754","2024-11-04","11:17:46",""
"1573029","21.3491","0.0003","9.9395","0.0001","22.8671","0.0003","90","","90","","90","","4852.38","0.11","150","0.2","150","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Br N2 O2 -","- C29 H27 Br N2 O2 -","- C232 H216 Br8 N16 O16 -","8","1","","Roper, Natalie J.; Campbell, Aaron D. G.; Waddell, Paul G.; Brown, Alistair K.; Ermanis, Kristaps; Armstrong, Roly J.","A stereodivergent multicomponent approach for the synthesis of C-N atropisomeric peptide analogues.","Chemical science","2024","15","40","16743","16751","10.1039/d4sc04700a","","x-ray","1.54184","CuKα","","0.0426","0.0378","","","0.0912","0.093","","","","","","1.193","","","","has coordinates","295758","2024-11-04","11:27:08",""
"1573032","4.8827","0.0002","10.6999","0.0004","29.5508","0.0011","90","","90","","90","","1543.86","0.1","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","0.5","","Pinson, Dana M.; Eckstrom, Francesca D.; Ostrom, Gregory S.; Randall McClain, K.; Baldwin, Lawrence C.; Harvey, Benjamin G.","[Ru]-Catalyzed olefin metathesis and ethenolysis for the synthesis and recycling of bio-based polycarbonates and polycyanurates","Polymer Chemistry","2025","16","2","133","148","10.1039/D4PY00940A","","","1.54178","CuKα","","0.0318","0.0307","","","0.0805","0.0824","","","","","","1.095","","","","has coordinates","299152","2025-04-05","04:25:08",""
"1573040","14.241","0.003","13.816","0.002","22.522","0.004","90","","90","","90","","4431.3","1.4","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H40 N2 O5 Os -","- C19 H40 N2 O5 Os -","- C152 H320 N16 O40 Os8 -","8","1","","Summersgill, Matthew D.; Gahan, Lawrence R.; Chow, Sharon; Pierens, Gregory K.; Bernhardt, Paul V.; Krenske, Elizabeth H.; Williams, Craig M.","Hyperstable alkenes: are they remarkably unreactive?","Chemical science","2024","15","46","19299","19306","10.1039/d4sc06697a","","x-ray","1.54178","CuKα","","0.0536","0.0474","","","0.1317","0.1382","","","","","","1.057","","","","has coordinates,has disorder","296414","2024-12-06","16:50:37",""
"1573051","20.836","0.013","18.713","0.009","29.74","0.014","90","","90","","90","","11596","11","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H34 Al F36 N O5 P2 -","- C48 H34 Al F36 N O5 P2 -","- C384 H272 Al8 F288 N8 O40 P16 -","8","1","","You, Lijun; Roth, Daniel; Greb, Lutz","Structural constraint at a P-P bond: phosphinophosphination of alkenes, alkynes, and carbonyls by a concerted mechanism.","Chemical science","2025","16","4","1716","1721","10.1039/d4sc06581f","","x-ray","0.71073","MoKα","","0.0659","0.0445","","","0.1137","0.1326","","","","","","1.018","","","","has coordinates,has disorder","298114","2025-03-04","19:12:34",""
"1573070","21.7767","0.0002","10.9167","0.0001","36.1028","0.0004","90","","90","","90","","8582.71","0.15","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H58 N4 Zn2 -","- C46 H58 N4 Zn2 -","- C368 H464 N32 Zn16 -","8","1","","Griffin, Liam P.; Aldridge, Simon","Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.","Chemical science","2024","15","46","19577","19582","10.1039/d4sc06389a","","x-ray","1.54184","CuKα","","0.0918","0.0803","","","0.1783","0.1829","","","","","","1.162","","","","has coordinates","296411","2024-12-06","16:49:23",""
"1573175","7.8436","0.0003","13.8612","0.0004","25.8433","0.0007","90","","90","","90","","2809.73","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-Dichloro-6-{<i>N</i>-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","","- C14 H8 Cl2 F3 N O -","- C14 H8 Cl2 F3 N O -","- C112 H64 Cl16 F24 N8 O8 -","8","1","PK4045","Xantini, Zizipho; Muller, Alfred; Lammertsma, Koop","2,4-Dichloro-6-{N-[2-(trifluoromethyl)phenyl]carboximidoyl}phenol","IUCrData","2024","9","11","","","10.1107/S2414314624010745","","","0.71073","MoKα","","0.0467","0.0362","","","0.1024","0.1112","","","","","","1.06","","","","has coordinates","295932","2024-11-15","02:57:30",""
"1573208","9.4438","0.0004","7.9296","0.0003","18.6153","0.0008","90","","90","","90","","1394.02","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]","","- C14 H10 N2 S2 Sn -","- C14 H10 N2 S2 Sn -","- C56 H40 N8 S8 Sn4 -","4","0.5","TK4112","Pancratz, Ann-Kathrin; Kamrowski, Anne; Reuter, Hans","catena-Poly[[diphenyltin(IV)]-di-μ-isothiocyanato]: an unprecedented layered coordination polymer resulting from bridging κ2 N:S thiocyanato ligands","IUCrData","2024","9","11","","","10.1107/S2414314624010939","","","0.71073","MoKα","","0.0252","0.0208","","","0.0516","0.0553","","","","","","1.08","","","","has coordinates","296007","2024-11-20","02:53:07",""
"1573239","21.868","0.003","22.557","0.003","22.892","0.003","90","","90","","90","","11292","3","273.15","","273.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Ag6 F9 N5 O7 S3 -","- C36 H45 Ag6 F9 N4 O6 S3 -","- C288 H360 Ag48 F72 N32 O48 S24 -","8","1","","Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi","Designed construction of two new atom-precise three-dimensional and two-dimensional Ag<sub>12</sub> cluster-assembled materials.","Nanoscale","2025","17","2","813","822","10.1039/d4nr03992k","","","0.71073","MoKα","","0.1018","0.0531","","","0.099","0.1173","","","","","","0.964","","","","has coordinates","298972","2025-04-05","03:31:43",""
"1573247","17.3865","0.00012","18.59091","0.00014","22.10176","0.00013","90","","90","","90","","7143.97","0.08","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H36 O6 P2 Ru -","- C41 H36 O6 P2 Ru -","- C328 H288 O48 P16 Ru8 -","8","1","","Saib, Asad; Goy, Roman; Medlock, Jonathan; Wüstenberg, Bettina; Kociok-Köhn, Gabriele; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich","Catalyst speciation and deactivation in the ruthenium-mediated transformation of ethynyl-β-ionol to α,β-unsaturated esters for vitamin A synthesis","Catalysis Science & Technology","2025","15","2","355","375","10.1039/D4CY01032A","","x-ray","1.54184","CuKα","","0.0393","0.0358","","","0.0863","0.0887","","","","","","1.106","","","","has coordinates","297980","2025-03-04","18:04:32",""
"1573305","7.7519","0.001","17.548","0.002","26.884","0.004","90","","90","","90","","3657","0.8","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H22 F N3 O3 S -","- C17 H22 F N3 O3 S -","- C136 H176 F8 N24 O24 S8 -","8","1","","Potla, Krishna Murthy; Asiri, Yahya I.; Rani, Nannapaneni Usha; Osório, Francisco A P; Valverde, Clodoaldo; Raja, Murugesan; Armaković, Sanja J; Armaković, Stevan","Investigation of the linear and nonlinear optical properties in the crystalline phase of a pyrimidine derivative-a potential nonlinear optical material: analysis of its structure, reactivity, and docking studies.","RSC advances","2024","14","51","37709","37724","10.1039/d4ra05681g","","","0.71073","MoKα","","0.1112","0.0536","","","0.133","0.1673","","","","","","1.021","","","","has coordinates","296719","2024-12-06","20:55:02",""
"1573307","15.9161","0.0004","17.8282","0.0004","18.1544","0.0005","90","","90","","90","","5151.4","0.2","170","0.1","170","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 -","- C36 H30 N2 -","- C288 H240 N16 -","8","1","","Wei, Xuyang; Li, Dong; Liu, Xitong; Zhang, Weifeng; Li, Hao; Yang, Shuai; Luo, Hao; Yu, Gui","Magnetoresistance effect of pyridine-capped <i>s</i>-indacene-based conjugated radicals.","Materials horizons","2025","12","5","1524","1531","10.1039/d4mh01114g","","x-ray","0.71073","MoKα","","0.0566","0.0456","","","0.1235","0.1298","","","","","","1.046","","","","has coordinates","299157","2025-04-05","04:26:38",""
"1573316","16.772","0.0004","12.6914","0.0002","18.7308","0.0004","90","","90","","90","","3987.04","0.14","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Co2 N2 O8 -","- C20 H22 Co2 N2 O8 -","- C160 H176 Co16 N16 O64 -","8","1","","Gong, Yi; Sharp, Simon J.; Elsegood, Mark R. J.; Redshaw, Carl","Metal-organic frameworks of <i>p</i>-hydroxybenzoic acid: synthesis, structure and ring opening polymerization capability.","RSC advances","2024","14","51","37895","37901","10.1039/d4ra06361a","","","0.71073","MoKα","","0.0816","0.0706","","","0.172","0.1792","","","","","","1.099","","","","has coordinates,has disorder","296720","2024-12-06","20:55:13",""
"1573317","16.6962","0.0005","13.0537","0.0004","19.1273","0.0009","90","","90","","90","","4168.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Mn2 N2 O8 -","- C20 H22 Mn2 N2 O8 -","- C160 H176 Mn16 N16 O64 -","8","1","","Gong, Yi; Sharp, Simon J.; Elsegood, Mark R. J.; Redshaw, Carl","Metal-organic frameworks of <i>p</i>-hydroxybenzoic acid: synthesis, structure and ring opening polymerization capability.","RSC advances","2024","14","51","37895","37901","10.1039/d4ra06361a","","","1.54178","CuKα","","0.0785","0.0581","","","0.1567","0.1718","","","","","","1.043","","","","has coordinates,has disorder","296720","2024-12-06","20:55:13",""
"1573384","10.6759","0.0002","17.5313","0.0003","40.2687","0.0008","90","","90","","90","","7536.8","0.2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H56 Al Cl O3 -","- C40 H56 Al Cl O3 -","- C320 H448 Al8 Cl8 O24 -","8","1","","Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying","Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","511","532","10.1039/d4dt02923b","","x-ray","0.71073","MoKα","","0.0673","0.0599","","","0.1542","0.1584","","","","","","1.072","","","","has coordinates","298881","2025-04-05","02:54:27",""
"1573385","14.5245","0.0003","19.871","0.0003","25.5065","0.0004","90","","90","","90","","7361.6","0.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H56 Al N O7 -","- C39 H56 Al N O7 -","- C312 H448 Al8 N8 O56 -","8","1","","Ganta, Prasanna Kumar; Huang, Fei; Halima, Taoufik Ben; Kamaraj, Rajiv; Chu, Yu-Ting; Tseng, Hsi-Ching; Ding, Shangwu; Wu, Kuo-Hui; Chen, Hsuan-Ying","Evolution of aluminum aminophenolate complexes in the ring-opening polymerization of ε-caprolactone: electronic and amino-chelating effects.","Dalton transactions (Cambridge, England : 2003)","2025","54","2","511","532","10.1039/d4dt02923b","","x-ray","0.71073","MoKα","","0.0598","0.0456","","","0.1144","0.1217","","","","","","1.038","","","","has coordinates","298881","2025-04-05","02:54:27",""
"1573395","9.1158","0.001","9.8374","0.0013","25.365","0.003","90","","90","","90","","2274.6","0.5","149.99","0.1","149.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Qin, Chang-Qing; Liu, Xin-Ni; Gu, Man-Zhen; Xu, Yi-Bing; Chen, Guo-Shu; Liu, Yun-Lin","DBU-mediated synthesis of amides from carbodiimides and unstrained 1,3-diketones","New Journal of Chemistry","2025","49","2","366","370","10.1039/D4NJ04537H","","x-ray","1.54184","CuKα","","0.1071","0.0771","","","0.209","0.2623","","","","","","1.111","","","","has coordinates","299012","2025-04-05","03:43:51",""
"1573396","9.9581","0.0003","9.1704","0.0003","27.6575","0.0007","90","","90","","90","","2525.68","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A.","Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials.","Polymer chemistry","2025","16","3","290","300","10.1039/d4py01296h","","","0.71073","MoKα","","0.0683","0.0453","","","0.1023","0.113","","","","","","1.062","","","","has coordinates","299154","2025-04-05","04:25:44",""
"1573398","10.6143","0.0004","13.2575","0.0005","19.9774","0.0007","90","","90","","90","","2811.2","0.18","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C136 H112 N8 O24 -","4","0.5","","Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu","Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.","Chemical science","2025","16","2","910","919","10.1039/d4sc06067a","","","1.54178","CuKα","","0.0389","0.0377","","","0.1001","0.1008","","","","","","1.181","","","","has coordinates","298122","2025-03-04","19:17:00",""
"1573452","15.5814","0.0007","16.4046","0.0008","17.843","0.0008","90","","90","","90","","4560.8","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Co2 Mo8 N14 O34 -","- C18 H30 Co2 Mo8 N14 O34 -","- C72 H120 Co8 Mo32 N56 O136 -","4","0.5","","Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang","A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","903","907","10.1039/d4dt02945c","","","0.71073","MoKα","","0.0193","0.0183","","","0.0458","0.0462","","","","","","1.191","","","","has coordinates","298944","2025-04-05","03:23:18",""
"1573453","15.5823","0.0006","16.4405","0.0007","17.8841","0.0007","90","","90","","90","","4581.6","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Mo8 N14 O34 Zn2 -","- C18 H30 Mo8 N14 O34 Zn2 -","- C72 H120 Mo32 N56 O136 Zn8 -","4","0.5","","Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang","A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","903","907","10.1039/d4dt02945c","","","0.71073","MoKα","","0.0319","0.0225","","","0.0453","0.048","","","","","","1.046","","","","has coordinates","298944","2025-04-05","03:23:18",""
"1573454","15.7082","0.0012","16.2936","0.0012","17.7195","0.0013","90","","90","","90","","4535.2","0.6","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Mo8 N14 Ni2 O34 -","- C18 H30 Mo8 N14 Ni2 O34 -","- C72 H120 Mo32 N56 Ni8 O136 -","4","0.5","","Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang","A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2025","54","3","903","907","10.1039/d4dt02945c","","","0.71073","MoKα","","0.0179","0.017","","","0.0419","0.0422","","","","","","1.238","","","","has coordinates","298944","2025-04-05","03:23:18",""
"1573561","18.1193","0.0011","35.666","0.002","36.498","0.003","90","","90","","90","","23587","3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H92 Gd2 N4 -","- C64 H92 Gd2 N4 -","- C1024 H1472 Gd32 N64 -","16","2","","Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen","Rare earth benzene tetraanion-bridged amidinate complexes.","Chemical science","2025","16","4","1907","1924","10.1039/d4sc05982d","","","0.71073","MoKα","","0.0361","0.0261","","","0.0554","0.0604","","","","","","1.039","","","","has coordinates","298113","2025-03-04","19:10:34",""
"1573582","8.31031","0.00008","20.0084","0.0002","44.3627","0.0005","90","","90","","90","","7376.45","0.13","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Cl2 N2 O Ru S2 -","- C41 H40 Cl2 N2 O Ru S2 -","- C328 H320 Cl16 N16 O8 Ru8 S16 -","8","1","","Matveeva, Maria; Trzaskowski, Bartosz; Kajetanowicz, Anna","Modifications of substituents on the chelating oxygen atom in stereoretentive Hoveyda–Grubbs-type complexes and their influence on catalytic properties","Catalysis Science & Technology","2025","15","3","783","793","10.1039/D4CY01357C","","x-ray","1.54184","CuKα","","0.0437","0.0343","","","0.0833","0.0899","","","","","","1.025","","","","has coordinates","297982","2025-03-04","18:05:58",""
"1573597","15.283","0.003","14.723","0.003","30.471","0.006","90","","90","","90","","6856","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H36 N4 O3 -","- C44 H36 N4 O3 -","- C352 H288 N32 O24 -","8","1","","Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan","Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.","Chemical science","2025","16","8","3459","3469","10.1039/d4sc07655a","","","0.7","synchrotron","","0.0922","0.0564","","","0.1427","0.1562","","","","","","1.02","","","","has coordinates","298104","2025-03-04","19:06:29",""
"1573625","16.5751","0.0003","9.7432","0.0002","16.0297","0.0003","90","","90","","90","","2588.71","0.09","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0397","0.0321","","","0.0946","0.101","","","","","","1.093","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573626","16.8809","0.0004","9.84471","0.00012","16.2781","0.0008","90","","90","","90","","2705.22","0.15","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0367","0.0309","","","0.087","0.09","","","","","","1.103","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573627","16.758","0.002","9.8015","0.0002","16.1729","0.0003","90","","90","","90","","2656.5","0.3","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0923","0.0718","","","0.1814","0.1944","","","","","","1.065","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573633","16.3373","0.0007","11.3081","0.0005","17.9484","0.0008","90","","90","","90","","3315.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.13","0.0464","","","0.0761","0.1036","","","","","","1.017","","","","has coordinates,has disorder","298255","2025-03-04","20:12:51",""
"1573638","16.7535","0.0005","9.80417","0.00016","16.1656","0.0003","90","","90","","90","","2655.27","0.1","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.045","0.0313","","","0.0825","0.0896","","","","","","0.922","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573639","16.883","0.0003","9.85238","0.00017","16.2916","0.0004","90","","90","","90","","2709.91","0.09","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.052","0.0419","","","0.1153","0.1217","","","","","","1.067","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573640","16.7442","0.0003","9.80349","0.0001","16.1545","0.0006","90","","90","","90","","2651.79","0.11","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.054","0.0466","","","0.1193","0.1256","","","","","","1.13","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573641","16.7395","0.0003","9.79915","0.00017","16.1723","0.0003","90","","90","","90","","2652.79","0.08","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0495","0.042","","","0.134","0.1417","","","","","","1.043","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573642","16.8614","0.0015","9.8359","0.0004","16.3043","0.0009","90","","90","","90","","2704","0.3","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.1884","0.1214","","","0.3105","0.3593","","","","","","1.045","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573643","16.7395","0.0003","9.79915","0.00017","16.1723","0.0003","90","","90","","90","","2652.79","0.08","293","2","293","2","","","2660000","","","Pressurized to 2.66 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0606","0.0509","","","0.1082","0.1135","","","","","","1.255","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573644","16.5856","0.0007","9.7494","0.0002","16.0285","0.0004","90","","90","","90","","2591.8","0.14","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0566","0.0406","","","0.0955","0.1039","","","","","","1.191","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573645","16.5789","0.0003","9.75229","0.00009","16.0089","0.0005","90","","90","","90","","2588.35","0.1","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0264","0.0234","","","0.0627","0.0645","","","","","","1.101","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573646","16.883","0.0003","9.85238","0.00017","16.2916","0.0004","90","","90","","90","","2709.91","0.09","293","2","293","2","","","2160000","","","Pressurized to 2.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0597","0.0508","","","0.1241","0.1308","","","","","","1.243","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573647","16.5856","0.0007","9.7494","0.0002","16.0285","0.0004","90","","90","","90","","2591.8","0.14","293","2","293","2","","","3300000","","","Pressurized to 3.30 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.41","synchrotron","","0.0638","0.0363","","","0.0784","0.0862","","","","","","0.826","","","","has coordinates","298255","2025-03-04","20:12:51",""
"1573654","16.0628","0.0009","11.0945","0.0004","17.707","0.0006","90","","90","","90","","3155.5","0.2","295.5","0.3","295.5","0.3","","","330000","","","Pressurized to 0.33 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1092","0.0522","","","0.1311","0.1734","","","","","","1.04","","","","has coordinates,has disorder","298255","2025-03-04","20:12:51",""
"1573657","16.527","0.003","11.2886","0.0014","17.901","0.013","90","","90","","90","","3340","3","295.1","0.4","295.1","0.4","","","160000","","","Pressurized to 0.16 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1751","0.044","","","0.0712","0.1075","","","","","","0.954","","","","has coordinates,has disorder","298255","2025-03-04","20:12:51",""
"1573658","16.178","0.0006","11.1922","0.0003","17.8018","0.0008","90","","90","","90","","3223.3","0.2","295.3","1","295.3","1","","","260000","","","Pressurized to 0.26 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.0915","0.0328","","","0.0452","0.0572","","","","","","1.026","","","","has coordinates,has disorder","298255","2025-03-04","20:12:52",""
"1573660","16.168","0.002","10.9575","0.0012","17.526","0.004","90","","90","","90","","3104.9","0.9","295.3","0.4","295.3","0.4","","","450000","","","Pressurized to 0.45 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.2449","0.0537","","","0.0892","0.1402","","","","","","0.923","","","","has coordinates,has disorder","298255","2025-03-04","20:12:52",""
"1573662","16.9137","0.0006","9.8518","0.0005","16.3267","0.0011","90","","90","","90","","2720.5","0.2","293","2","293","2","","","2310000","","","Pressurized to 2.31 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1346","0.083","","","0.164","0.1808","","","","","","1.175","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573663","16.7686","0.0006","9.8173","0.0002","16.1828","0.0017","90","","90","","90","","2664.1","0.3","293","2","293","2","","","2590000","","","Pressurized to 2.59 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1155","0.0464","","","0.0601","0.0747","","","","","","1.034","","","","has coordinates","298255","2025-03-04","20:12:52",""
"1573666","16.215","0.003","11.0942","0.0012","17.732","0.004","90","","90","","90","","3189.9","1","295.4","0.16","295.4","0.16","","","320000","","","Pressurized to 0.32 GPa and left to stabilize over ? hours.","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 Au O P -","- C15 H22 Au O P -","- C120 H176 Au8 O8 P8 -","8","1","","Dziewiątkowska, Róża; Krzeszczakowska, Joanna; Głodek, Marta; Łomzik, Michał; Plażuk, Damian; Makal, Anna","Pressure-induced phase transitions in a new luminescent gold(I)-arylacetylide.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3362","3374","10.1039/d4dt03036b","","x-ray","0.56087","AgKα","","0.1764","0.0525","","","0.0657","0.0953","","","","","","0.923","","","","has coordinates,has disorder","298255","2025-03-04","20:12:52",""
"1573674","11.1107","0.0011","11.3129","0.0011","26.083","0.002","90","","90","","90","","3278.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H21 B10 N S -","- C10 H21 B10 N S -","- C80 H168 B80 N8 S8 -","8","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.0745","0.0554","","","0.1403","0.1561","","","","","","1.03","","","","has coordinates,has disorder","298913","2025-04-05","03:12:08",""
"1573675","12.0591","0.0009","10.8146","0.0009","45.473","0.003","90","","90","","90","","5930.3","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B20 N2 S2 -","- C18 H32 B20 N2 S2 -","- C144 H256 B160 N16 S16 -","8","1","","Crujeiras, Pablo; Vázquez-Carballo, Irene; Sousa-Pedrares, Antonio","Application of the aza-Wittig reaction for the synthesis of carboranyl Schiff bases, benzothiazoles and benzoselenazolines.","Dalton transactions (Cambridge, England : 2003)","2025","54","7","2819","2832","10.1039/d4dt03378g","","","0.71073","MoKα","","0.1227","0.0695","","","0.1413","0.1673","","","","","","1.034","","","","has coordinates","298913","2025-04-05","03:12:10",""
"1573773","17.6926","0.0003","7.5803","0.0001","31.0434","0.0005","90","","90","","90","","4163.39","0.11","226","","226","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 B10 -","- C21 H24 B10 -","- C168 H192 B80 -","8","1","","Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei","Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.","Chemical science","2025","16","8","3705","3712","10.1039/d4sc08496a","","","1.34139","GaKα","","0.0518","0.0414","","","0.1065","0.1137","","","","","","1.051","","","","has coordinates","298105","2025-03-04","19:07:09",""
"1573782","10.758","0.0004","7.7718","0.0003","38.4713","0.0017","90","","90","","90","","3216.5","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O S2 -","- C17 H15 N3 O S2 -","- C136 H120 N24 O8 S16 -","8","1","","Erchinger, Johannes E.; Lenz, Madina; Mukherjee, Poulami; Li, Yan-Bo; Suresh, Adhya; Daniliuc, Constantin G.; Gutierrez, Osvaldo; Glorius, Frank","Mechanistic insights into the regiodivergent insertion of bicyclo[1.1.0]butanes towards carbocycle-tethered N-heteroarenes.","Chemical science","2025","16","9","4006","4013","10.1039/d4sc08637f","","x-ray","0.71073","MoKα","","0.0506","0.0373","","","0.097","0.1041","","","","","","1.062","","","","has coordinates","298155","2025-03-04","19:28:59",""
"1573796","9.3805","0.0001","17.9125","0.0003","20.6371","0.0003","90","","90","","90","","3467.61","0.09","149.98","0.1","149.98","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","1","","Hu, Yue-Hong; Chen, Yu-Ting; He, Zhi-Juan; Gan, Zhang-Yan; Zhang, Ling-Hui; Xi, Wen-Jie; Li, Baosheng; Zhang, Fu-Min","One-pot Nazarov cyclization/oxidative 1,2-carbon rearrangement/Ritter reaction to access 5-quaternary-4-amidocyclopent-2-enones and 2-quaternary-3-amidoindanones.","Chemical communications (Cambridge, England)","2025","61","18","3720","3723","10.1039/d4cc06597b","","x-ray","1.54184","CuKα","","0.0464","0.0393","","","0.0998","0.1042","","","","","","1.032","","","","has coordinates","298065","2025-03-04","18:45:29",""
"1573847","6.81856","0.00004","18.79523","0.00011","32.85532","0.00019","90","","90","","90","","4210.62","0.04","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 B3 N2 O3 -","- C23 H21 B3 N2 O3 -","- C184 H168 B24 N16 O24 -","8","1","","Procter, Richard J.; Alamillo-Ferrer, Carla; Shabbir, Usman; Britton, Phyllida; Bučar, Dejan-Krešimir; Dumon, Alexandre S.; Rzepa, Henry S.; Burés, Jordi; Whiting, Andrew; Sheppard, Tom D.","Borate-catalysed direct amidation reactions of coordinating substrates.","Chemical science","2025","16","11","4718","4724","10.1039/d4sc07744j","","x-ray","1.54184","CuKα","","0.0333","0.0306","","","0.0804","0.0824","","","","","","1.036","","","","has coordinates","298811","2025-04-05","02:25:49",""
"1573897","10.778","0.0002","9.3346","0.0001","30.4546","0.0004","90","","90","","90","","3063.99","0.08","100.02","0.1","100.02","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C136 H160 N16 S8 -","8","1","","Yu, Yongjiang; Chen, Wang; Hu, Rongrong; Tang, Ben Zhong","The base-free multicomponent polymerization of elemental sulfur, difluoromethylene phosphobetaine and amines toward electron-deficient aromatic polythioureas","Polymer Chemistry","2025","16","13","1509","1518","10.1039/D4PY01387E","","x-ray","1.54184","CuKα","","0.0387","0.0353","","","0.0953","0.098","","","","","","1.072","","","","has coordinates","299153","2025-04-05","04:25:29",""
"1573918","16.5203","0.0001","11.144","0.0001","23.4626","0.0002","90","","90","","90","","4319.52","0.06","290","9","290.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl N3 O3 S -","- C23 H20 Cl N3 O3 S -","- C184 H160 Cl8 N24 O24 S8 -","8","1","","Datta, Paramita; Maji, Subir; Biswas, Prativa; Jain, Divya; Dey, Partha Protim; Mandal, Swadhin K.","An organophotocatalytic redox-neutral strategy for late-stage drug functionalization with SO<sub>2</sub> gas.","Chemical science","2025","16","12","5064","5075","10.1039/d4sc08380f","","","1.54184","CuKα","","0.0361","0.0328","","","0.0957","0.0989","","","","","","1.059","","","","has coordinates","298821","2025-04-05","02:29:20",""
"1573930","11.8872","0.0005","10.1609","0.0005","28.5346","0.0012","90","","90","","90","","3446.5","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cl O -","- C22 H19 Cl O -","- C176 H152 Cl8 O8 -","8","1","","Wang, Yue; Miao, Junhao; Dong, Honglin; Zhang, Dongliang; Chen, Bei; Guan, Meihui; Zhang, Ge; Zhang, Qian","A photo- and cobalt-catalyzed highly selective and divergent hydrofunctionalization of 1,3-dienes with phenols.","Chemical science","2025","16","13","5640","5650","10.1039/d5sc00438a","","","1.54178","CuKα","","0.0642","0.0608","","","0.1615","0.1663","","","","","","1.075","","","","has coordinates","298799","2025-04-05","02:22:43",""
"1573932","7.2275","0.0002","29.8407","0.0008","30.6964","0.0009","90","","90","","90","","6620.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H20 Au N9 -","- C46 H20 Au N9 -","- C368 H160 Au8 N72 -","8","1","","Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu","Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.","Chemical science","2025","16","12","4998","5006","10.1039/d4sc07576e","","","0.812","Synchrotron","","0.058","0.0495","","","0.1313","0.1388","","","","","","1.004","","","","has coordinates","298818","2025-04-05","02:28:01",""
"1574108","9.7393","0.0002","24.5507","0.0005","30.8103","0.0007","90","","90","","90","","7366.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1MeCz-BO","","- C52 H34 B N O2 -","- C52 H34 B N O2 -","- C416 H272 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing Electroluminescence Performance of Ultra-Deep-Blue Through-Space Charge Transfer Emitters with CIEy ≈ 0.05 Via Methyl-modification","Chemical Science","2025","","","","","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0759","0.0572","","","0.1425","0.1528","","","","","","1.072","","","","has coordinates","298359","2025-03-10","23:17:54",""
"1574109","8.8277","0.0003","27.8654","0.0009","31.786","0.0012","90","","90","","90","","7819","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3MeCz-BO","","- C54 H38 B N O2 -","- C54 H38 B N O2 -","- C432 H304 B8 N8 O16 -","8","1","","Li, Quanwei; Zhao, Haisong; Zhao, Jinyang; Cao, Zhongxu; Yu, Chao; Yan, Shouke; Ren, Zhongjie","Enhancing Electroluminescence Performance of Ultra-Deep-Blue Through-Space Charge Transfer Emitters with CIEy ≈ 0.05 Via Methyl-modification","Chemical Science","2025","","","","","10.1039/D4SC08094G","","x-ray","1.54184","CuKα","","0.0888","0.0559","","","0.147","0.1672","","","","","","1.039","","","","has coordinates","298359","2025-03-10","23:17:55",""
"1574214","17.438","0.003","16.527","0.003","33.683","0.01","90","","90","","90","","9707","4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","KT-284","","- C40 H72 Mo O3 Si5 -","- C40 H72 Mo O3 Si5 -","- C320 H576 Mo8 O24 Si40 -","8","1","","Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander","Metal−Silicon Triple Bonds: Reactivity of the Silylidyne Complexes [Cp*(CO)2M≡Si−Tbb] (M = Cr – W)","Chemical Science","2025","","","","","10.1039/D5SC01063B","","","0.71073","MoKα","","0.1427","0.0894","","","0.1756","0.1954","","","","","","1.046","","","","has coordinates,has disorder","298566","2025-03-24","23:12:03",""
"2000009","10.154","0.001","18.393","0.002","15.773","0.002","90","","90","","90","","2945.8","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C3 H14 F2 Ga3 N2 O13 P3 -","- C3 H14 F2 Ga3 N2 O13 P3 -","- C24 H112 F16 Ga24 N16 O104 P24 -","8","1","","Loiseau, Thierry; Retoux, Richard; Lacorre, Philippe; Férey, Gérard","Oxyfluorinated Microporous Compounds","Journal of Solid State Chemistry","1994","111","","427","436","10.1006/jssc.1994.1249","","","","","","","0.024","","","0.024","","","","","","","","","","","has coordinates","199798","2020-10-21","18:00:00",""
"2000041","25.043","0.008","21.253","0.007","13.188","0.006","90","","90","","90","","7019.17","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl32 Mo6 N6 O2 Sb4 -","- C28 Cl40 Mo12 N12 O2 Sb4 -","- C112 Cl160 Mo48 N48 O8 Sb16 -","4","0.5","","Ehrlich, Grant M.; Warren, Christopher J.; Haushalter, Robert C.; DiSalvo, Francis J.","Preparation and Structure of [Mo~6~Cl~8~(CH~3~CN)~6~](SbCl~6~)~4~ · 2EtOH","Inorganic Chemistry","1995","34","16","4284","4286","10.1021/ic00120a042","","","","","","","0.066","","","0.066","","","","","","","","","","","has coordinates","199666","2020-10-21","18:00:00",""
"2000109","17.863","0.015","15.317","0.013","13.109","0.01","90","","90","","90","","3586.72","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","strontium ethylenediammonium cyclo-tetraphosphate hydrate","","- C2 H20 N2 O17 P4 Sr -","- C2 H20 N2 O17 P4 Sr -","- C16 H160 N16 O136 P32 Sr8 -","8","1","","M. Bagieu-Beucher; A. Durif; J. C. Guitel","Structure of a strontium ethylenediammonium cyclo-tetraphosphate hydrate","Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.","1988","44","","2063","2065","10.1107/S0108270188008479","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000122","17","","7.323","","6.168","","90","","90","","90","","767.86","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 D4 I2 -","- C12 D8 I4 -","- C48 D32 I16 -","4","0.5","","Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi","Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations","Journal of Solid State Chemistry","1994","110","1","20","27","10.1006/jssc.1994.1129","","neutron","","","","","0.121","","","0.121","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000132","14.226","0.002","15.117","0.002","17.557","0.002","90","","90","","90","","3775.71","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H98 Al24 N8 O129 P32 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","- C32 Al64 N8 O200 P64 Zn8 -","1","0.125","","Marler, Bernd; Patarin, Joel; Sierra, Ligia","Crystal structure of a novel porous MeAPO phase: ZAPO-M1, {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~]","Microporous Materials","1995","5","3","151","159","10.1016/0927-6513(95)00056-F","","","","","","","0.069","","","0.069","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2000167","11.4064","0.0007","13.098","0.002","20.848","0.002","90","","90","","90","","3114.7","0.6","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","1","ST0501","Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","Methyl 2-(2,6-dimethoxyphenyl)benzofuran-4-carboxylate","Acta Crystallographica Section C","1991","47","12","2731","2733","10.1107/S0108270191004195","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000193","22.46","0.009","17.52","0.008","9.04","0.01","90","","90","","90","","3557","4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C36 H56 N4 O6 -","- C36 H56 N4 O6 -","- C144 H224 N16 O24 -","4","0.5","LI0069","Cheetham, G. M. T.; Harding, M. M.","<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-Bis(<i>m</i>-xylyl)bis(4,13-diaza-1,7,10-trioxacyclopentadecane): a multidentate macrocyclic complexing agent containing two 15-crown-5 rings","Acta Crystallographica Section C","1991","47","11","2478","2479","10.1107/S010827019100598X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000195","9.665","0.002","7.981","0.001","19.071","0.002","90","","90","","90","","1471.1","0.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","AL0471","Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.","Structure of <i>N</i>-methyl benzaldehyde nitrone","Acta Crystallographica Section C","1991","47","11","2484","2485","10.1107/S0108270191007199","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000217","22.525","0.002","11.73","0.002","7.568","0.002","90","","90","","90","","1999.6","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","ST0506","Gleason, W. B.; Brostrom, M.; Etter, M. C.; Johnson, R. B.","Structure of 4-cyano-4'-fluorobiphenyl","Acta Crystallographica Section C","1991","47","10","2131","2134","10.1107/S0108270191003451","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000228","8.783","0.002","9.304","0.003","26.993","0.005","90","","90","","90","","2205.8","1","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C10 H8 Cl Cu N O4 -","- C10 H8 Cl Cu N O4 -","- C80 H64 Cl8 Cu8 N8 O32 -","8","1","AB0196","Wang, J.-L.; Tian, G.-H.; Miao, F. M.; Liu, H.-Q.; Chen, R.-T.","Structure of the complex [<i>N</i>-(<i>p</i>-chlorophenyl)iminodiacetato]copper(II)","Acta Crystallographica Section C","1991","47","10","2205","2207","10.1107/S010827019100389X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000272","15.239","0.002","16.376","0.003","28.964","0.004","90","","90","","90","","7228.1","1.9","","","","","","","","","","","","7","P b c a","","","","","","- C19 H46 Cl2 Fe2 Mo3 N6 O13 -","- C19 H46 Cl2 Fe2 Mo3 N6 O13 -","- C152 H368 Cl16 Fe16 Mo24 N48 O104 -","8","1","ST0478","Lettko, K.; Liu, S.; Zubieta, J.","Structure of [<i>L</i>Fe(μ-MoO~4~)~3~Fe<i>L</i>].CH~2~Cl~2~.H~2~O (<i>L</i> = 1,4,7-trimethyl-1,4,7-triazacyclononane)","Acta Crystallographica Section C","1991","47","8","1723","1725","10.1107/S0108270191002111","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2000302","15.415","0.006","16.422","0.005","15.535","0.004","90","","90","","90","","3933","2","","","","","","","","","","","","5","P b c a","","","","","","- C14 H16 N10 Ni S2 -","- C14 H16 N10 Ni S2 -","- C112 H128 N80 Ni8 S16 -","8","1","MU0213","Koman, M.; Jóna, E.; Mašlejová, A.","Structural investigations of nickel(II) complexes. IX. Structure of tetrakis(imidazole)bis(isothiocyanato)nickel(II)","Acta Crystallographica Section C","1991","47","6","1206","1208","10.1107/S0108270190013920","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000311","5.9496","0.001","11.483","0.003","40.262","0.007","90","","90","","90","","2750.7","1","","","","","","","","","","","","4","P b c a","","","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C120 H128 O32 S8 -","8","1","ST0484","Lynch, V. M.; Daniel, D.; Martin, S. F.; Davis, B. E.","Structure of (±)-3-benzyloxy-2,3,3a,7a-tetrahydrobenzo[<i>b</i>]thiophen-5(4<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section C","1991","47","6","1340","1342","10.1107/S0108270190013142","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000334","6.694","0.001","17.498","0.001","34.959","0.005","90","","90","","90","","4094.8","0.9","","","","","","","","","","","","2","P b c a","","","","","","- C28 H24 -","- C28 H24 -","- C224 H192 -","8","1","ST0461","Abboud, K. A.; Simonsen, S. H.; Prasad, R. S.; Roberts, R. M.","Structure of <i>cis</i>-9,10-dibenzyl-9,10-dihydroanthracene at 193 K","Acta Crystallographica Section C","1991","47","4","880","882","10.1107/S0108270190010605","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000363","7.137","0.001","14.438","0.003","16.11","0.003","90","","90","","90","","1660","0.5","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C9 H9 N O3 -","- C9 H12 N O3 -","- C72 H96 N8 O24 -","8","1","AB0273","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of <i>p</i>-acetylbenzoic acid oxime","Acta Crystallographica Section C","1992","48","12","2163","2165","10.1107/S0108270192003159","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2000373","13.331","0.003","13.797","0.005","28.179","0.006","90","","90","","90","","5183","2","298","","298","","","","","","","","","5","P b c a","","","","","","- C25 H35 I N2 O4 -","- C25 H35 I N2 O4 -","- C200 H280 I8 N16 O32 -","8","1","NA0017","Dapporto, P.; Paoli, P.; Sega, A.","{2-[<i>p</i>-(<i>o</i>-Butoxybenzamido)benzoyloxy]ethyl}diethylmethylammonium iodide","Acta Crystallographica Section C","1992","48","12","2189","2192","10.1107/S010827019200413X","","","0.71069","Mo-Kalpha","","","0.065","","","0.07","","","","","3.05","3.05","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000385","17.488","0.003","22.287","0.004","22.811","0.003","90","","90","","90","","8891","2","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C36 H46 Cd Cl2 N4 O9 S4 -","- C36 H46 Cd Cl2 N4 O9 S4 -","- C288 H368 Cd8 Cl16 N32 O72 S32 -","8","1","BX0581","Castiñeiras, A.; Gómez, M. C.; Hiller, W.","Structure of tetrakis(<i>N</i>,<i>N</i>-dimethylbenzenecarbothioamide-<i>S</i>)cadmium(II) diperchlorate monohydrate","Acta Crystallographica Section C","1992","48","12","2215","2218","10.1107/S0108270192004359","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","194525","2020-10-21","18:00:00",""
"2000427","12.947","0.001","9.401","0.003","20.005","0.003","90","","90","","90","","2434.9","0.9","","","","","","","","","","","","5","P b c a","","","","","","- C26 H24 Cu N2 O8 -","- C26 H24 Cu N2 O8 -","- C104 H96 Cu4 N8 O32 -","4","0.5","AL0524","Hoang, N. N.; Valach, F.; Macášková, L.; Melník, M.","Structure of copper(II) salicylates: bis(3-pyridylmethanol)bis(salicylato)copper(II)","Acta Crystallographica Section C","1992","48","11","1933","1936","10.1107/S0108270192003263","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000475","13.343","0.007","21.991","0.005","10.462","0.003","90","","90","","90","","3070","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H0 F4 N2 -","- C8 F4 N2 -","- C128 F64 N32 -","16","2","CR0414","Britton, D.","Structure of tetrafluoroisophthalonitrile","Acta Crystallographica Section C","1992","48","11","2040","2042","10.1107/S0108270192002567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000484","11.336","0.002","10.134","0.003","20.275","0.003","90","","90","","90","","2329.2","0.9","","","","","","","","","","","","4","P b c a","","","","","","- C12 H5 N3 O6 -","- C12 H5 N3 O6 -","- C96 H40 N24 O48 -","8","1","AL0528","Du, M.-H.; Hitchcock, P. B.","1,3-Dinitropyrrolo[1,2-<i>b</i>]isoquinoline-5,10-dione","Acta Crystallographica Section C","1992","48","11","2058","2060","10.1107/S0108270192002774","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000512","19.759","0.003","17.016","0.003","13.661","0.003","90","","90","","90","","4593.1","1.5","","","","","","","","","","","","6","P b c a","","","","","","- C16 H32 Cl2 N4 Ni O8 -","- C16 H32 Cl2 N4 Ni O8 -","- C128 H256 Cl16 N32 Ni8 O64 -","8","1","CR0408","Szalda, D. J.; Fujita, E.","Structures of <i>racemic</i> and <i>meso</i> (5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)nickel(II) perchlorate","Acta Crystallographica Section C","1992","48","10","1767","1771","10.1107/S0108270192002397","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000532","7.9333","0.0007","25.947","0.002","11.855","0.001","90","","90","","90","","2440.3","0.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","NA1001","Maurin, J. K.; Paul, I. C.; Curtin, D. Y.","Structure of 3-benzoylbenzamide oxime","Acta Crystallographica Section C","1992","48","10","1821","1823","10.1107/S010827019200458X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000595","14.23","0.004","19.283","0.004","14.628","0.004","90","","90","","90","","4013.9","1.8","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H26 F3 O3 S Ta -","- C18 H26 F3 O3 S Ta -","- C144 H208 F24 O24 S8 Ta8 -","8","1","HH0590","Schaefer, W. P.; Quan, R. W.; Bercaw, J. E.","Cp,Cp*-dimethyltantalum triflate","Acta Crystallographica Section C","1992","48","9","1610","1612","10.1107/S0108270192001628","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190975","2020-10-21","18:00:00",""
"2000626","16.8","0.002","20.071","0.002","9.429","0.001","90","","90","","90","","3179.4","0.6","","","","","","","","","","","","3","P b c a","","","","","","- C18 H20 O5 -","- C18 H20 O5 -","- C144 H160 O40 -","8","1","BR0013","Sicheri, F. V.; Derry, W. B.; Gupta, R. S.; Yang, D. S.-C.","Structure of 5-(2-hydroxyethoxy)-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole","Acta Crystallographica Section C","1992","48","9","1687","1689","10.1107/S0108270192001197","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000648","29.018","0.003","8.53","0.001","11.762","0.001","90","","90","","90","","2911.4","0.5","293","2","293","2","","","","","","","","4","P b c a","","","","1-Indanone-2-spiro-4'-N-phenylpiperidine","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","1","KA1005","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Forconi, H.; Caubère, P.","Structure and conformation of 1'-phenylindan-2-spiro-4'-piperidin-1-one","Acta Crystallographica Section C","1992","48","9","1727","1730","10.1107/S0108270192005328","","","1.54178","X-rayCuK-αmean","","","0.0395","","","0.0566","","","","","0.8064","0.8064","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000670","32.017","0.009","23.557","0.007","7.933","0.003","90","","90","","90","","5983","3","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H34 N3 Nd O17 S3 -","- C18 H33 N3 Nd O17 S3 -","- C144 H264 N24 Nd8 O136 S24 -","8","1","MU0260","Starynowicz, P.","Structure of bis(4-aminobenzenesulfonato-<i>O</i>)heptaaquaneodymium 4-aminobenzenesulfonate hydrate","Acta Crystallographica Section C","1992","48","8","1414","1416","10.1107/S0108270192000593","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","191087","2020-10-21","18:00:00",""
"2000687","15.809","0.004","12.207","0.002","19.772","0.005","90","","90","","90","","3815.6","1.5","","","","","","","","","","","","6","P b c a","","","","","","- C21 H18 Cl N3 O S -","- C21 H18 Cl N3 O S -","- C168 H144 Cl8 N24 O8 S8 -","8","1","HU0407","Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M.","Mesoionic compounds. 3. Structure of the hydrochloride of 5(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazolium-2-phenylaminide","Acta Crystallographica Section C","1992","48","8","1471","1474","10.1107/S0108270192000283","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","190730","2020-10-21","18:00:00",""
"2000696","10.764","0.001","12.557","0.004","19.626","0.002","90","","90","","90","","2652.7","0.9","","","","","","","","","","","","6","P b c a","","","","","","- C12 H17 Cl N2 O Pd -","- C12 H17 Cl N2 O Pd -","- C96 H136 Cl8 N16 O8 Pd8 -","8","1","AS0592","Cho, I.; Yeo, H.; Whang, D.; Kim, K.","Structure of chloro[<i>N</i>-(3-dimethylamino-1-propyl)salicylideneaminato]palladium(II)","Acta Crystallographica Section C","1992","48","8","1488","1489","10.1107/S0108270192002543","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000714","6.552","0.002","25.794","0.006","19.412","0.005","90","","90","","90","","3280.7","1.5","","","","","","","","","","","","4","P b c a","","","","","","- C11 H18 N8 O8 -","- C11 H18 N8 O8 -","- C88 H144 N64 O64 -","8","1","HH0579","Flippen-Anderson, J. L.; George, C.; Gilardi, R.","Structure of 2,4,6-trinitro-8,10-dipropionyl-2,4,6,8,10-pentaazabicyclo[5.3.0]decane","Acta Crystallographica Section C","1992","48","8","1530","1531","10.1107/S0108270191015123","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000742","5.379","0.004","11.074","0.009","19.582","0.017","90","","90","","90","","1166.4","1.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H18 N2 O6 V2 -","- C6 H18 N2 O6 V2 -","- C24 H72 N8 O24 V8 -","4","0.5","AB0238","Tyršelová, J.; Pavelčík, F.","Structure of 1,6-hexanediammonium metavanadate","Acta Crystallographica Section C","1992","48","7","1207","1209","10.1107/S0108270191014269","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000758","16.454","0.003","17.353","0.003","17.674","0.001","90","","90","","90","","5046.4","1.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C25 H27 N5 Si -","- C25 H27 N5 Si -","- C200 H216 N40 Si8 -","8","1","HA0095","Whitby, R. J.; Webster, M.; Dennehy, R. D.","Structure of 6-(<i>tert</i>-butylimino)-4,4,5,5-tetracyano-3-(1-phenylethylidene)-1-(trimethylsilyl)cyclohex-1-ene","Acta Crystallographica Section C","1992","48","7","1252","1253","10.1107/S0108270191014464","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000775","8.604","0.002","14.29","0.004","24.924","0.004","90","","90","","90","","3064.4","1.2","","","","","","","","","","","","6","P b c a","","","","","","- C14 H10 F3 N3 O2 S -","- C14 H10 F3 N3 O2 S -","- C112 H80 F24 N24 O16 S8 -","8","1","CR0380","Wang, X.; Deng, R.; Wu, J.; Chen, Z.","Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone","Acta Crystallographica Section C","1992","48","7","1295","1297","10.1107/S0108270191014762","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000793","9.203","0.003","9.81","0.03","12.705","0.006","90","","90","","90","","1147","4","","","","","","","","","","","","3","P b c a","","","","","","- C10 H2 F12 -","- C10 H2 F12 -","- C40 H8 F48 -","4","0.5","ST0561","Lynch, V. M.; Kampa, J. J.; Lagow, R. J.; Davis, B. E.","Structure of 1,2,4,5-tetrakis(trifluoromethyl)benzene","Acta Crystallographica Section C","1992","48","7","1339","1341","10.1107/S0108270191013963","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000794","20.301","0.005","8.952","0.002","14.707","0.006","90","","90","","90","","2672.8","1.4","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C12 H16 O5 S -","- C12 H16 O5 S -","- C96 H128 O40 S8 -","8","1","AB0261","Frydenvang, K.; Jensen, B.","Structure of <i>cis</i>-2-methyl-4-tosyloxymethyl-1,3-dioxolane","Acta Crystallographica Section C","1992","48","7","1341","1343","10.1107/S0108270191014622","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000818","14.332","0.003","16.592","0.003","17.42","0.003","90","","90","","90","","4142.4","1.3","","","","","","","","","","","","6","P b c a","","","","","","- C10 H30 Cl2 O3 P4 Pd -","- C10 H30 Cl2 O3 P4 Pd -","- C80 H240 Cl16 O24 P32 Pd8 -","8","1","CR0282","Davies, J. A.; Pinkerton, A. A.; Vilmer, M.","<i>cis</i>-Di[bis(dimethylphosphino)methane <i>P</i>-oxide-<i>P</i>']dichloropalladium(II) monohydrate","Acta Crystallographica Section C","1992","48","6","1027","1029","10.1107/S0108270191013859","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","189069","2020-10-21","18:00:00",""
"2000827","7.311","0.001","5.565","0.001","88.01","0.01","90","","90","","90","","3580.7","0.9","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H34 O2 -","- C18 H34 O2 -","- C144 H272 O16 -","8","1","AS0516","Kaneko, F.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Sato, K.; Suzuki, M.","Structure of the low-melting phase of petroselinic acid","Acta Crystallographica Section C","1992","48","6","1054","1057","10.1107/S0108270191012921","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000831","29.056","0.009","13.127","0.003","10.068","0.002","90","","90","","90","","3840.1","1.7","","","","","","","","","","","","3","P b c a","","","","","","- C20 H36 O4 -","- C20 H36 O4 -","- C160 H288 O32 -","8","1","AS0535","Yasui, M.; Tsuchiya, T.; Iwasaki, F.; Nakayama, J.","Structure of 2,3,-di-<i>tert</i>-butyl-5,6,7,8-<i>endo</i>-tetrakis(hydroxymethyl)bicyclo[2.2.2]oct-2-ene","Acta Crystallographica Section C","1992","48","6","1065","1068","10.1107/S010827019101301X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000898","10.249","0.002","8.853","0.002","29.687","0.004","90","","90","","90","","2693.6","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H21 F O3 S -","- C11 H21 F O3 S -","- C88 H168 F8 O24 S8 -","8","1","HA0061","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structure of the methanesulfonate ester of <i>trans</i>,<i>trans</i>-5-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","864","866","10.1107/S010827019101226X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000990","8.588","0.001","24.28","0.003","13.992","0.002","90","","90","","90","","2917.6","0.6","","","","","","","","","","","","4","P b c a","","","","","","- C16 H11 I Te -","- C16 H11 I Te -","- C128 H88 I8 Te8 -","8","1","LI0110","Zukerman-Schpector, J.; Dabdoub, M. J.; Dabdoub, V. B.; Pereira, M. A.","Structure of 3-iodo-2,5-diphenyltellurophene, C~16~H~11~ITe","Acta Crystallographica Section C","1992","48","4","767","768","10.1107/S0108270191011484","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001048","9.29","0.003","11.16","0.004","31.529","0.009","90","","90","","90","","3268.8","1.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C13 H23 N2 O5 P -","- C13 H23 N2 O5 P -","- C104 H184 N16 O40 P8 -","8","1","MU0248","Weichsel, A.; Lis, T.","Structure of triethylammonium phenylcarbamoyl phosphate","Acta Crystallographica Section C","1992","48","2","303","305","10.1107/S0108270191008636","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001103","10.773","0.001","25.953","0.001","10.818","0.001","90","","90","","90","","3024.6","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C128 H144 O40 -","8","1","AN0328","Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.","Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols","Acta Crystallographica Section C","1992","48","1","70","73","10.1107/S0108270191004456","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001105","13.32","0.004","31.654","0.015","6.991","0.003","90","","90","","90","","2948","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","AS0499","Mori, Y.; Hayakawa, A.; Maeda, K.","Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones","Acta Crystallographica Section C","1992","48","1","123","126","10.1107/S0108270191007904","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001245","7.5137","0.0009","19.178","0.002","27.731","0.006","90","","90","","90","","3996","1.1","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H30 Br N3 O4 -","- C16 H30 Br N3 O4 -","- C128 H240 Br8 N24 O32 -","8","1","AL1042","Elding-Pontén, M.","Structure of tetraethylammonium bromide‒succinimide (1/2)","Acta Crystallographica Section C","1993","49","11","1994","1996","10.1107/S010827019300455X","","","0.71069","MoKα","","","0.036","","","0.041","","","","","1.08","1.08","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001273","8.775","0.002","18.848","0.009","25.185","0.008","90","","90","","90","","4165","3","295","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C20 H18 N4 Ni O2 S2 -","- C20 H18 N4 Ni O2 S2 -","- C160 H144 N32 Ni8 O16 S16 -","8","1","HH1041","Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.","A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers","Acta Crystallographica Section C","1993","49","10","1706","1713","10.1107/S0108270193004597","","","0.71069","MoKα","","","0.065","","","0.083","","","","","1.25","1.25","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001300","11.8271","0.0004","11.9869","0.0004","13.0821","0.0005","90","","90","","90","","1854.65","0.11","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H12 Cl2 Pd -","- C8 H12 Cl2 Pd -","- C64 H96 Cl16 Pd8 -","8","1","HH1058","Kumar, R.; Maverick, A. W.; Fronczek, F. R.; Doyle, J. R.; Baenziger, N. C.; Howells, M. A. M.","The <i>Pbca</i> polymorph of dichloro(η^4^-1,5-cyclooctadiene)palladium(II)","Acta Crystallographica Section C","1993","49","10","1766","1767","10.1107/S0108270193003889","","","0.71073","MoKα","","","0.022","","","0.029","","","","","1.455","1.455","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001303","13.784","0.004","22.51","0.004","13.409","0.003","90","","90","","90","","4160.5","1.7","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-N,N-di-p-toluenesulphonamidoquinoline","","- C23 H20 N2 O4 S2 -","- C23 H20 N2 O4 S2 -","- C184 H160 N16 O32 S16 -","8","1","AS1053","Lincoln, S. F.; Mahadevan, I. B.; Tiekink, E. R. T.; Ward, A. D.","8-(<i>N</i>,<i>N</i>-Di-<i>p</i>-toluenesulfonylamino)quinoline","Acta Crystallographica Section C","1993","49","10","1775","1777","10.1107/S0108270193002689","","","0.7107","MoKα","","","0.055","","","0.056","","","","","3.02","3.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001320","13.25","0.001","10.054","0.001","19.496","0.001","90","","90","","90","","2597.2","0.4","298","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","OH1027","Kawata, T.; Ohba, S.; Umehara, M.; Honnami, H.","Three isomers of tricyclo[10.3.0.0^4,9^]pentadecane-2,10-dione, (I), (II) and (III), and <i>cis</i>-<i>cisoid</i>-<i>cis</i>-9-hydroxy-9-methyltricyclo[9.3.0.0^3,7^]tetradecan-2-one, (IV)","Acta Crystallographica Section C","1993","49","10","1854","1857","10.1107/S0108270193003750","","","0.71073","MoKα","","","0.046","","","0.043","","","","","3.85","3.85","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001324","13.155","0.009","33.433","0.005","14.634","0.005","90","","90","","90","","6436","5","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C29 H38 I O9 P -","- C29 H36 I O9 P -","- C232 H288 I8 O72 P8 -","8","1","HA1047","Chaloner, P. A.; Harrison, R. M.; Hitchcock, P. B.","Structure of methyltris(2,4,6-trimethoxyphenyl)phosphonium iodide ethanol solvate","Acta Crystallographica Section C","1993","49","10","1852","1854","10.1107/S0108270193004317","","","0.71069","MoKα","","","0.059","","","0.081","","","","","2.3","2.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001335","12.4588","0.0011","7.8993","0.0005","13.222","0.002","90","","90","","90","","1301.3","0.2","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","BR1031","Davis, D. S.; Fronczek, F. R.; Gandour, R. D.","Ethynylenebis(2-methoxybenzene)","Acta Crystallographica Section C","1993","49","10","1833","1834","10.1107/S0108270193002732","","","1.54184","CuKα","","","0.039","","","0.063","","","","","4.054","4.054","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001375","18.98","0.03","13.24","0.02","30.18","0.05","90","","90","","90","","7584","2","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C26 H56 Cl6 O5 Ti2 -","- C26 H56 Cl6 O5 Ti2 -","- C208 H448 Cl48 O40 Ti16 -","8","1","AB1051","Iiskola, E.; Pelkonen, A.; Kakkonen, H. J.; Ahlgrén, M.; Pakkanen, T. A.; Pursiainen, J.","Structure of μ-oxo-bis[trichloro(2,2-diisobutyl-1,3-dimethoxypropane-<i>O</i>,<i>O</i>')titanium(IV)]","Acta Crystallographica Section C","1993","49","9","1607","1609","10.1107/S0108270193002148","","","0.71073","MoKα","","","0.049","","","0.052","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001398","12.337","0.004","12.888","0.006","9.677","0.007","90","","90","","90","","1538.6","1.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Amino-1-Propylammonium Perchlorate","","- C3 H11 Cl N2 O4 -","- C3 H12 Cl N2 O4 -","- C24 H96 Cl8 N16 O32 -","8","1","LI1052","Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.","3-Amino-1-propylammonium perchlorate: an extensively hydrogen-bonded system","Acta Crystallographica Section C","1993","49","9","1656","1657","10.1107/S010827019300277X","","","0.71069","MoKα","","","0.039","","","0.0523","","","","","2.077","2.077","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001413","29.817","0.012","17.001","0.007","7.279","0.005","90","","90","","90","","3690","3","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C168 H200 N8 O32 -","8","1","KA1026","Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Simonov, Y. A.; Kravtsov, V. Kh.","Structure of (±)-tetrahydropalmatine","Acta Crystallographica Section C","1993","49","9","1691","1693","10.1107/S0108270193002410","","","1.54178","CuKα","","","0.061","","","0.07","","","","","3.85","3.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001433","15.945","0.004","9.845","0.003","8.912","0.003","90","","90","","90","","1399","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H18 N2 Na2 O10 -","- C10 H18 N2 Na2 O10 -","- C40 H72 N8 Na8 O40 -","4","0.5","AL1024","Font-Bardia, M.; Solans, X.; Font-Altaba, M.","Sodium ion complexes with ethylenediaminetetraacetic acid","Acta Crystallographica Section C","1993","49","8","1452","1456","10.1107/S0108270193001350","","","0.71069","MoKα","","","0.063","","","0.066","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2001518","16.662","0.002","12.99","0.002","12.226","0.002","90","","90","","90","","2646.2","0.7","297","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 O4 P2 Pt -","- C8 H18 O4 P2 Pt -","- C64 H144 O32 P16 Pt8 -","8","1","AS1038","Suzuki, Y.; Miyamoto, T. K.; Ichida, H.","(Oxalato-<i>O</i>,<i>O</i>')bis(trimethylphosphine)platinum(II)","Acta Crystallographica Section C","1993","49","7","1317","1318","10.1107/S0108270192013490","","","0.71069","MoKα","","","0.04","","","0.044","","","","","1.68","1.68","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001562","8.1213","0.0007","17.514","0.003","18.903","0.003","90","0.01","90","0.009","90","0.01","2688.7","0.7","287","","287","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(α-hydroxybenzyl)-methyl-8-azabicyclo[3.2.1]octan-3-one","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","CD1010","Li, J.; Quail, J. W.; Zheng, G. Z.; Majewski, M.","Structure of 2-(α-hydroxybenzyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section C","1993","49","7","1410","1412","10.1107/S0108270192013581","","","1.5418","CuKα","","0.072","0.048","","0.062","0.059","","","","2.219","2.619","2.619","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001601","17.615","0.001","15.4","0.002","13.786","0.002","90","","90","","90","","3739.7","0.8","","","","","","","","","","","","5","P b c a","","","","","","- C20 H25 Cl N2 O3 -","- C20 H25 Cl N2 O3 -","- C160 H200 Cl8 N16 O24 -","8","1","AS0505","Okamoto, K.; Fujii, S.; Tomita, K.","1-[3-(3,4-Methylenedioxyphenoxy)propyl]-4-phenylpiperazine monohydrochloride","Acta Crystallographica Section C","1993","49","6","1125","1127","10.1107/S0108270193001763","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","190731","2020-10-21","18:00:00",""
"2001628","8.029","0.001","23.091","0.005","20.11","0.005","90","","90","","90","","3728.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H18 N6 O S3 -","- C14 H18 N6 O S3 -","- C112 H144 N48 O8 S24 -","8","1","OH1007","Hu, N.-H.; Zhang, S.-L.","Interactions of thiamine with anions. Structure of thiamine dithiocyanate","Acta Crystallographica Section C","1993","49","6","1178","1180","10.1107/S0108270192012630","","","0.71069","MoKα","","","0.052","","","0.047","","","","","1.91","1.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001676","12.2783","0.0008","21.5387","0.0006","41.9626","0.0002","90","","90","","90","","11097.4","0.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C58 H58 Cl4 P4 W2 -","- C58 H52 Cl4 P4 W2 -","- C464 H416 Cl32 P32 W16 -","8","1","HH1033","Cotton, F. A.; Eglin, J. L.; James, C. A.","Structural characterization of W^4^—WCl~4~(PMePh~2~)~4~","Acta Crystallographica Section C","1993","49","5","893","896","10.1107/S0108270193000666","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001799","6.962","0.004","13.754","0.007","22.974","0.012","90","","90","","90","","2200","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C88 H96 N32 O16 -","8","1","GR1000","De Bondt, H. L.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.","Structure of 5-benzylamino-1-methyl-4-nitroimidazole","Acta Crystallographica Section C","1993","49","4","763","765","10.1107/S0108270192009570","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001860","21.493","0.007","11.721","0.004","8.345","0.001","90","","90","","90","","2102.3","1","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C18 H22 N4 O2 P2 S2 -","- C18 H22 N4 O2 P2 S2 -","- C72 H88 N16 O8 P8 S8 -","4","0.5","SE1011","Engelhardt, U.; Stromburg, B.","2,8-Diphenoxy-2,8-dithioxo-1,3,7,9-tetraaza-2λ^5^,8λ^5^-diphosphatricyclo[7.3.0.0^3,7^]dodekan","Acta Crystallographica Section C","1993","49","3","489","491","10.1107/S0108270192008679","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001895","23.01","0.04","13.91","0.01","7.58","0.04","90","","90","","90","","2426","14","","","","","","","","","","","","4","P b c a","","","","","","- C9 H9 Cl3 O4 -","- C9 H9 Cl3 O4 -","- C72 H72 Cl24 O32 -","8","1","AB0277","Durruthy, O.; Pomés, R.; Fajardo, F.; Dago, A.","Structure of ethyl 5-(2,2,2-trichloro-1-hydroxyethyl)furan-2-carboxylate","Acta Crystallographica Section C","1993","49","3","559","560","10.1107/S0108270192006991","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001951","7.288","0.001","12.432","0.003","24.392","0.002","90","","90","","90","","2210","0.6","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","HH1006","Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Patton, A.; Sharp, T. R.","A twisted pentacyclic ketone derivative","Acta Crystallographica Section C","1993","49","2","261","263","10.1107/S010827019200684X","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001966","12.036","0.003","28.753","0.003","8.451","0.003","90","","90","","90","","2924.6","1.3","","","","","","","","","","","","3","P b c a","","","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C144 H160 O24 -","8","1","CD0067","Alex, G.; Srinivasan, S.; Bakthavatchalam, R.; Ramadas, S. R.; Varghese, B.","Structures of derivatives of the Diels‒Alder adduct 1,4,4a,5,8,8a,9a,10a-octahydro-1,4:5,8-dimethano-9,10-anthraquinone","Acta Crystallographica Section C","1993","49","2","303","307","10.1107/S0108270192007996","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001991","29.085","0.015","9.149","0.004","11.266","0.005","90","","90","","90","","2998","2","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C18 H15 O P -","- C18 H15 O P -","- C144 H120 O8 P8 -","8","1","MU1009","Thomas, J. A.; Hamor, T. A.","Structure of orthorhombic triphenylphosphine oxide: a redetermination at room temperature","Acta Crystallographica Section C","1993","49","2","355","357","10.1107/S0108270192006176","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002044","23.073","0.001","17.34","0.003","7.299","0.001","90","","90","","90","","2920.2","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C136 H144 O24 S8 -","8","1","AS0338","Thinapong, P.; Pohmakotr, M.; Skelton, B.; White, A. H.","Structures of two diastereomers of 1-(α-hydroxy-<i>m</i>-methoxybenzyl)-1-(phenylsulfinyl)cyclopropane","Acta Crystallographica Section C","1993","49","1","54","57","10.1107/S0108270192004529","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002072","36.276","0.007","10.469","0.003","8.229","0.003","90","","90","","90","","3125.2","1.6","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C17 H18 N2 O S -","- C17 H18 N2 O S -","- C136 H144 N16 O8 S8 -","8","1","CD0069","Eswaramoorthy, S.; Raju, K. S.; Ponnuswamy, M. N.","Structure of 2-[<i>N</i>-(2-hydroxyethyl)]aminomethyl-3-phenylthioindole","Acta Crystallographica Section C","1993","49","1","107","109","10.1107/S0108270192003469","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002101","22.669","0.006","15.663","0.006","12.995","0.004","90","","90","","90","","4614","3","294","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C176 H256 O64 -","8","1","ST1014","Erickson, M. S.; Schilling, P. J.; Fronczek, F. R.; Watkins, S. F.","Structure of a cyclotetradecadiene","Acta Crystallographica Section C","1993","49","1","165","167","10.1107/S0108270192008813","","","1.54184","CuKα","","","0.08","","","0.073","","","","","2.225","2.225","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002108","13.856","0.002","18.783","0.004","15.209","0.002","90","","90","","90","","3958.3","1.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5","","- C18 H25 Cl O8 -","- C18 H25 Cl O8 -","- C144 H200 Cl8 O64 -","8","1","BR1013","Ferguson, G.; Kaitner, B.; McKervey, M. A.; Owens, M.","5-Chloro-2-hydroxycarbonylmethoxy-1,3-xylyl-18-crown-5 and 5-chloro-2-ethoxycarbonylmethoxy-1,3-xylyl-18-crown-5","Acta Crystallographica Section C","1993","49","1","179","182","10.1107/S0108270192009971","","","0.7093","MolybdenumKα","","0.112","0.036","","0.059","0.048","","","","","1.24","1.24","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002581","10.16","0.001","9.701","0.005","14.527","0.006","90","","90","","90","","1431.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) yttrium bis(molybdate)","","- Cu Mo2 O8 Y -","- Cu Mo2 O8 Y -","- Cu8 Mo16 O64 Y8 -","8","1","","Krueger, T F; Mueller-Buschbaum, Hk","Synthese und Struktur einer neuen Form von Cu Y Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","609","","55","58","10.1002/zaac.19926090310","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002592","10.302","0.003","9.796","0.005","14.697","0.006","90","","90","","90","","1483.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) samarium bis(molybdate)","","- Cu Mo2 O8 Sm -","- Cu Mo2 O8 Sm -","- Cu8 Mo16 O64 Sm8 -","8","1","","Krueger, T F; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallstruktur von Cu Sm Mo2 O8 und Cu Gd Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","79","83","10.1002/zaac.19926170112","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002593","10.2","0.007","9.779","0.007","14.646","0.045","90","","90","","90","","1460.9","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) gadolinium bis(molybdate)","","- Cu Gd Mo2 O8 -","- Cu Gd Mo2 O8 -","- Cu8 Gd8 Mo16 O64 -","8","1","","Krueger, T F; Mueller-Buschbaum, Hk","Ein Beitrag zur Kristallstruktur von Cu Sm Mo2 O8 und Cu Gd Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","617","","79","83","10.1002/zaac.19926170112","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002619","11.2022","0.0025","5.4283","0.0015","15.5605","0.0019","90","","90","","90","","946.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Calcium bismuth vanadate","","- Bi Ca O5 V -","- Bi Ca O5 V -","- Bi8 Ca8 O40 V8 -","8","1","","Boje, J; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von Ca Bi V O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","521","524","10.1002/zaac.19936190315","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002700","10.4114","0.0022","9.8917","0.0083","14.8287","0.0026","90","","90","","90","","1527.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper praseodymium molybdenum oxide (1/1/2/8)","","- Cu Mo2 O8 Pr -","- Cu Mo2 O8 Pr -","- Cu8 Mo16 O64 Pr8 -","8","1","","Mueller-Buschbaum, Hk; Sedello, O","Ein Beitrag ueber Cu Pr Mo2 O8 und Cu Tb Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","647","650","10.1002/zaac.19946200411","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002701","10.2243","0.0026","9.7385","0.0035","14.6","0.0015","90","","90","","90","","1453.7","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper terbium molybdenum oxide (1/1/2/8)","","- Cu Mo2 O8 Tb -","- Cu Mo2 O8 Tb -","- Cu8 Mo16 O64 Tb8 -","8","1","","Mueller-Buschbaum, Hk; Sedello, O","Ein Beitrag ueber Cu Pr Mo2 O8 und Cu Tb Mo2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","647","650","10.1002/zaac.19946200411","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002704","10.2857","0.0014","9.777","0.0077","14.6697","0.005","90","","90","","90","","1475.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) europium bis(molybdate)","","- Cu Eu Mo2 O8 -","- Cu Eu Mo2 O8 -","- Cu8 Eu8 Mo16 O64 -","8","1","","Mueller-Buschbaum, Hk; Szillat, H","Synthese und Kristallstruktur von Cu Eu Mo2 O8 und Cu Ho Mo2 O8","Journal of Alloys Compd.","1994","204","","231","235","10.1016/0925-8388(94)90096-5","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002705","10.1677","0.0013","9.6958","0.0031","14.5468","0.0026","90","","90","","90","","1434.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) holmium bis(molybdate)","","- Cu Ho Mo2 O8 -","- Cu Ho Mo2 O8 -","- Cu8 Ho8 Mo16 O64 -","8","1","","Mueller-Buschbaum, Hk; Szillat, H","Synthese und Kristallstruktur von Cu Eu Mo2 O8 und Cu Ho Mo2 O8","Journal of Alloys Compd.","1994","204","","231","235","10.1016/0925-8388(94)90096-5","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002707","10.359","0.0029","9.8432","0.0032","14.7602","0.0008","90","","90","","90","","1505","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) neodymium dimolybdate","","- Cu Mo2 Nd O8 -","- Cu Mo2 Nd O8 -","- Cu8 Mo16 Nd8 O64 -","8","1","","Müller-Buschbaum, Hk.; Sedello, O.","Die Kristallstrukturen von α-CuGdW~2~O~8~ und CuNdMo~2~O~8~","Journal of Alloys and Compounds","1994","204","1-2","237","241","10.1016/0925-8388(94)90097-3","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","200131","2020-10-21","18:00:00",""
"2002746","10.1951","0.0013","9.721","0.0015","14.563","0.003","90","","90","","90","","1443.3","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) dysprosium bis(molybdate)","","- Cu Dy Mo2 O8 -","- Cu Dy Mo2 O8 -","- Cu8 Dy8 Mo16 O64 -","8","1","","Mueller-Buschbaum, Hk; Gallinat, S","Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","240","244","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002747","10.094","0.003","9.629","0.006","14.467","0.009","90","","90","","90","","1406.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Copper(I) ytterbium bis(molybdate)","","- Cu Mo2 O8 Yb -","- Cu Mo2 O8 Yb -","- Cu8 Mo16 O64 Yb8 -","8","1","","Mueller-Buschbaum, Hk; Gallinat, S","Zur Kristallchemie von Cu Dy Mo2 O8 und Cu Yb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","240","244","","","","","","","0.0629","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002792","7.242","0.004","12.433","0.003","9.932","0.003","90","","90","","90","","894.3","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dibarium diniobotellurate","","- Ba2 Nb2 O10 Te -","- Ba2 Nb2 O10 Te -","- Ba8 Nb8 O40 Te4 -","4","0.5","","Mueller-Buschbaum, Hk; Wedel, B","Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2 Nb2 Te O10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1407","1410","","","","","","","0.0527","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002836","9.0661","0.001","9.0117","0.001","17.51288","0.001","90","","90","","90","","1430.8","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Strontium zinc oxovanadium bis(phosphate(V))","","- O9 P2 Sr V Zn -","- O9 P2 Sr V Zn -","- O72 P16 Sr8 V8 Zn8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S; Mertens, B","Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate: Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","985","988","","","","","","","0.1031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002837","8.838","0.004","8.915","0.004","19.37398","0.009","90","","90","","90","","1526.5","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium cadmium oxovanadium bis(phosphate(V))","","- Ba Cd O9 P2 V -","- Ba Cd O9 P2 V -","- Ba8 Cd8 O72 P16 V8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S; Mertens, B","Zum Ba Zn (V O) (P O4)2-Typ verwandte, jedoch isotype Vanadylphosphate: Sr Zn (V O) (P O4)2 und Ba Cd (V O) (P O4)2.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","985","988","","","","","","","0.1081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002839","8.8137","0.001","9.039","0.001","18.53809","0.001","90","","90","","90","","1476.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Barium zinc oxovanadium(IV) bis(phosphate(V))","","- Ba O9 P2 V Zn -","- Ba O9 P2 V Zn -","- Ba8 O72 P16 V8 Zn8 -","8","1","","Mueller-Buschbaum, Hk; Meyer, S","Synthese und Kristallstruktur eines Barium-Zink-Vanadylphosphats Ba Zn (V O) (P O4)2 mit ((V O) (P O4))-Schichten","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","367","371","","","","","","","0.0683","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002893","10.416","0.003","14.25","0.003","5.2038","0.0009","90","","90","","90","","772.4","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Al1.75 Na1.75 O4 Si0.25 -","- Al0.07 Na0.372 O0.184 Si0.07 -","- Al0.56 Na2.976 O1.472 Si0.56 -","8","1","AB0390","Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.","Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures","Acta Crystallographica Section B","1998","54","5","531","546","10.1107/S0108768197019927","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002895","10.385","0.001","14.198","0.003","5.1925","0.0006","90","","90","","90","","765.6","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Al1.55 Na1.55 O4 Si0.45 -","- Al0.116 Na0.456 O0.26 Si0.116 -","- Al0.928 Na3.648 O2.08 Si0.928 -","8","1","AB0390","Thompson, John G; Withers, Ray L.; Melnitchenko, Alexandra; Palethorpe, Stephen R.","Cristobalite-Related Phases in the NaAlO~2~‒NaAlSiO~4~ System. I. Two Tetragonal and Two Orthorhombic Structures","Acta Crystallographica Section B","1998","54","5","531","546","10.1107/S0108768197019927","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002928","7.4544","0.0004","6.0826","0.0006","20.0946","0.0012","90","","90","","90","","911.13","0.12","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","BK0054","Kaduk, J.A.; Golab, J.T.","Structures of 2,6-disubstituted naphthalenes","Acta Crystallographica Section B","1999","55","1","85","94","10.1107/S0108768198008945","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002940","10.76","0.001","7.74","0.001","27.145","0.003","90","","90","","90","","2260.7","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium 3-benzoylthiophene-2-carboxylate","","- C12 H7 K O3 S -","- C12 H7 K O3 S -","- C96 H56 K8 O24 S8 -","8","1","BK0064","Craven, B. M.; Ballas, F. L.","Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate","Acta Crystallographica Section B","1999","55","3","375","379","10.1107/S0108768198012907","","","1.5418","CuKα","","0.034","0.032","","0.037","0.036","","","","2.486","2.561","2.561","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002969","21.937","0.008","15.327","0.003","6.924","0.001","90","","90","","90","","2328","2","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Jerry P. Jasinski; Richard C. Woudenberg","7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms","Acta Crystallographica Section C","1995","51","","107","109","","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002980","22.811","0.003","22.029","0.003","10.7965","0.001","90","","90","","90","","5425.3","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1,1-Tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)","","- C33 H30 N2 O4 -","- C33 H30 N2 O4 -","- C264 H240 N16 O32 -","8","1","CF0005","Ferguson, George; Glidewell, Christopher; Lavender, Emma S.","Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1)","Acta Crystallographica Section B","1999","55","4","591","600","10.1107/S0108768199002657","","","0.7107","MolybdenumKα","","0.1305","0.0388","","","","0.1075","","","","","","0.874","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003029","16.387","0.001","20.022","0.001","13.758","0.006","90","","90","","90","","4514","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Tetrakis(benzyl)Zirconium","","","- C28 H28 Zr -","- C28 H28 Zr -","- C224 H224 Zr8 -","8","1","NA0084","Tedesco, C.; Immirzi, A.; Proto, A.","Structures of Homoleptic Benzyl Derviatives of Zirconium","Acta Crystallographica Section B","1998","54","4","431","437","10.1107/S0108768197017771","","","0.71069","MoKα","","0.1634","0.0362","","0.2267","0.0969","","","","1.001","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003058","20.0097","0.0013","15.249","0.002","10.4168","0.0018","90","","90","","90","","3178.5","0.7","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","F-TEMPO","4-(4-fluorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H22 F N2 O -","- C16 H22 F N2 O -","- C128 H176 F8 N16 O8 -","8","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.103","0.0425","","","","0.1397","","","","","","0.989","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003061","14.035","0.003","22.964","0.003","10.71","0.002","90","","90","","90","","3451.8","1.1","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-diCl-TEMPO","4-(3,5-dichlorophenyl)methyleneamino-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C16 H21 Cl2 N2 O -","- C16 H21 Cl2 N2 O -","- C128 H168 Cl16 N16 O8 -","8","1","OA0019","Iwasaki, Fujiko; Yoshikawa, Joseph H.; Yamamoto, Hajime; Kan-nari, Eiji; Takada, Kiwamu; Yasui, Masanori; Ishida, Takayuki; Nogami, Takashi","TEMPO radicals showing magnetic interactions. I. 4-(4-Halobenzylideneamino)TEMPO and related compounds","Acta Crystallographica, Section B: Structural Science","1999","55","2","231","245","10.1107/S0108768198012786","","","0.71073","MoKα","","0.1287","0.0491","","","","0.1233","","","","","","0.996","","","","has coordinates,has Fobs","208977","2020-10-21","18:00:00",""
"2003078","12.934","0.003","14.748","0.003","15.858","0.003","90","","90","","90","","3024.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium iodide","","- C19 H9 I O3 -","- C19 H9 I O3 -","- C152 H72 I8 O24 -","8","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0496","0.0438","","","","0.1104","","","","","","1.196","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003079","12.817","0.003","15.196","0.003","15.396","0.003","90","","90","","90","","2998.6","1.1","120","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium tetrafluoroborate","","- C19 H9 B F4 O3 -","- C19 H9 B F4 O3 -","- C152 H72 B8 F32 O24 -","8","1","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.059","0.0437","","","","0.1239","","","","","","1.031","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003080","13.55","0.003","15.807","0.003","32.201","0.006","90","","90","","90","","6897","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium hexafluoroarsenate","","- C19 H9 As F6 O3 -","- C19 H9 As F6 O3 -","- C304 H144 As16 F96 O48 -","16","2","OS0007","Krebs, Frederik C.; Laursen, Bo W.; Johannsen, Ib; Faldt, André; Bechgaard, Klaus; Jacobsen, Claus S.; Thorup, Niels; Boubekeur, Kamal","The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions","Acta Crystallographica, Section B: Structural Science","1999","55","3","410","423","10.1107/S0108768198016140","","","0.71073","MoKα","","0.0967","0.0572","","","","0.1779","","","","","","1.068","","","","has coordinates","208975","2020-10-21","18:00:00",""
"2003176","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","98","103","10.1107/S0108270194007742","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003193","26.377","0.004","8.297","0.002","9.994","0.002","90","","90","","90","","2187.2","0.8","298","","","","","","","","","","","4","P b c a","","","","","","- C9 H15 O5 P -","- C9 H15 O5 P -","- C72 H120 O40 P8 -","8","1","","Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W.","cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","251","253","10.1107/S0108270194008607","","","0.71069","MoKα","","","0.034","","","0.055","","","","","2.55","2.55","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003204","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","234","235","10.1107/S0108270194007249","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2003227","21.023","0.001","14.907","0.001","8.2059","0.0007","90","","90","","90","","2571.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methoxy-5-oxo-11-azabenzo[b]fluorene-11-oxide","","- C17 H11 N O3 -","- C17 H11 N O3 -","- C136 H88 N8 O24 -","8","1","AB1206","Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.","4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base","Acta Crystallographica Section C","1995","51","3","462","465","10.1107/S0108270194010528","","","1.54178","CuKα","","0.0387","0.038","","0.0859","0.0825","","","","1.087","1.087","1.087","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003239","14.3565","0.0007","14.8021","0.0008","25.612","0.002","90","","90","","90","","5442.7","0.6","295","","","","","","","","","","slow cooling of p-xylene solution","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl8 O6 -","- C22 H24 Cl8 O6 -","- C176 H192 Cl64 O48 -","8","1","BK1038","Garcia, J. G.; Fronczek, F. R.","The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels‒Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene","Acta Crystallographica Section C","1995","51","3","468","471","10.1107/S0108270194008681","","","0.71073","MoKα","","","0.035","","","0.037","","","","","1.468","1.468","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003267","8.411","0.002","7.094","0.001","19.349","0.004","90","","90","","90","","1154.5","0.4","293","","","","","","","","","","recrystallized from water","4","P b c a","-P 2ac 2ab","61","","","","- C2 H7 N5 S -","- C2 H7 N5 S -","- C16 H56 N40 S8 -","8","1","KA1069","Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A.","Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone","Acta Crystallographica Section C","1995","51","3","442","445","10.1107/S0108270194005494","","","0.71073","MoKα","","","0.0333","","","0.0804","","","","","1.004","1.004","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003277","7.95","0.001","8.88","0.001","17.525","0.003","90","","90","","90","","1237.2","0.3","295","","","","","","","","","","Dissolving glutaric acid/lithium carbonate (1mol:0.5mol) in water yields crystals on standing","4","P b c a","-P 2ac 2ab","","","","","- C5 H7 Li O4 -","- C5 H7 Li O4 -","- C40 H56 Li8 O32 -","8","1","MU1051","Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.","Lithium and Caesium Hydrogen Glutarate","Acta Crystallographica Section C","1995","51","3","404","406","10.1107/S0108270194005524","","","1.5418","CuKα","","","0.037","","","0.051","","","","","2.74","2.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003303","10.716","0.001","17.431","0.004","35.029","0.007","90","","90","","90","","6543","2","295","","295","","","","","","","","The title compound was prepared by the interaction of cis-[PtCl~2~(PMe~2~Ph)~2~] with triphenylsilane in boiling benzene--triethylamine solution (Chatt, Earborn, Ibekwe & Kapoor, 1967). Single crystals were formed on cooling to room temperature.","6","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Cl P2 Pt Si -","- C34 H34 Cl P2 Pt Si -","- C272 H272 Cl8 P16 Pt8 Si8 -","8","1","AB1204","Kapoor, P.; Lövqvist, K.; Oskarsson, Å.","The <i>trans</i> Influence of the Silyl Ligand. Structure of <i>trans</i>-[PtCl(SiPh~3~)(PMe~2~Ph)~2~]","Acta Crystallographica Section C","1995","51","4","611","613","10.1107/S0108270194011170","","","0.7107","MoKα","","","0.0299","","","0.0336","","","","","1.302","1.302","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003321","13.778","0.002","13.2816","0.0013","26.188","0.003","90","","90","","90","","4792.2","1","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","azidotetrakis(trimethylphosphine)nickel(II) tetrafluoroborate","","- C12 H36 B F4 N3 Ni P4 -","- C12 H36 B F4 N3 Ni P4 -","- C96 H288 B8 F32 N24 Ni8 P32 -","8","1","BK1077","Carson, C. C.; Pike, R. D.; Carpenter, G. B.","Azidotetrakis(trimethylphosphine)nickel(II) Tetrafluoroborate","Acta Crystallographica Section C","1995","51","4","595","598","10.1107/S0108270194010553","","","0.71073","MoKα","","0.1242","0.0577","","0.1529","0.1337","","","","0.852","1.106","1.106","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003364","10.648","0.002","12.589","0.003","18.594","0.004","90","","90","","90","","2492.5","0.9","233","","233","","","","","","","","synthesized at UMIST","5","P b c a","-P 2ac 2ab","61","","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1H,4H-indeno[1,2-c]pyrazole","","- C13 H8 F6 N2 O -","- C13 H8 F6 N2 O -","- C104 H64 F48 N16 O8 -","8","1","LI1130","Abdul-Ghani, M.; Pritchard, R. G.; Tipping, A. E.","1-Trifluoroacetyl-3-trifluoromethyl-3a,8b-dihydro-1<i>H</i>,4<i>H</i>-indeno[1,2-<i>c</i>]pyrazole","Acta Crystallographica Section C","1995","51","4","770","772","10.1107/S0108270194011881","","","0.71069","MoKα","","","0.0387","","","0.0458","","","","","1.15","1.15","","","","","has coordinates,has disorder","200173","2020-10-21","18:00:00",""
"2003368","12.835","0.003","17.596","0.003","16.015","0.003","90","","90","","90","","3616.9","1.2","298","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C26 H44 Cl4 O2 P2 Pt2 S2 -","- C104 H176 Cl16 O8 P8 Pt8 S8 -","4","0.5","MU1113","Francisco, R. H. P.; Gambardella, M. T. P.; Rodrigues, A. M. G. D.; de Souza, G. F.; Filgueiras, C. A. L.","The Dimer [PtCl~2~{P(C~2~H~5~)~3~}{(C~6~H~5~)SOCH~2~}]~2~","Acta Crystallographica Section C","1995","51","4","604","606","10.1107/S0108270194009108","","","0.71069","MoKα","","","0.0383","","","0.0428","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003396","18.548","0.009","11.886","0.005","9.393","0.003","90","","90","","90","","2070.8","1.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O -","- C14 H10 O -","- C112 H80 O8 -","8","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.048","","","0.028","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003416","15.438","0.002","15.343","0.002","12.685","0.001","90","","90","","90","","3004.6","0.6","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-diisopropyl(p-methylphenyl)glyoxylamide","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C120 H168 N8 O16 -","8","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.081","","","0.074","","","","","6.3","6.3","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003497","14.29","0.003","13.571","0.002","27.314","0.008","90","","90","","90","","5297","2","296","","","","","","","","","","from acetone","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Nb O5 P2 W -","- C25 H27 Nb O5 P2 W -","- C200 H216 Nb8 O40 P16 W8 -","8","1","PA1107","Oudet, P.; Kubicki, M. M.; Moise, C.","Pentacarbonyl-1κ<i>C</i>,2κ^4^<i>C</i>-bis[1,1(η^5^)-cyclopentadienyl](dimethylphenylphosphine-2κ<i>P</i>)-μ-dimethylphosphanido-niobiumtungsten","Acta Crystallographica Section C","1995","51","5","811","813","10.1107/S0108270194007262","","","0.71073","MoKα","","","0.043","","","0.051","","","","","2.22","2.22","","","","","has coordinates","190987","2020-10-21","18:00:00",""
"2003559","9.477","0.001","7.463","0.001","26.727","0.003","90","","90","","90","","1890.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 K O5 -","- C8 H6 K O5 -","- C64 H48 K8 O40 -","8","1","HU1120","Kariuki, B. M.; Jones, W.","Potassium Hydrogen Phthalate Hemiperhydrate","Acta Crystallographica Section C","1995","51","6","1128","1130","10.1107/S0108270194012497","","","0.71069","MoKα","","0.1379","0.0449","","0.106","0.0859","","","","0.93","1.262","1.262","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003590","11.746","0.001","16.535","0.001","24.139","0.001","90","","90","","90","","4688.3","0.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N8 Ni O6 -","- C20 H24 N8 Ni O6 -","- C160 H192 N64 Ni8 O48 -","8","1","NA1132","Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C.","[<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate","Acta Crystallographica Section C","1995","51","6","1107","1109","10.1107/S010827019401406X","","","0.71073","MoKα","","","0.034","","","0.065","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003632","13.945","0.009","15.406","0.008","13.83","0.008","90","","90","","90","","2971","3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 Br2 O4 -","- C13 H16 Br2 O4 -","- C104 H128 Br16 O32 -","8","1","AS1147","Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.","Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate","Acta Crystallographica Section C","1995","51","7","1397","1399","10.1107/S0108270195001235","","","0.71073","MoKα","","","0.047","","","0.03","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003633","11.528","0.003","9.166","0.001","14.655","0.002","90","","90","","90","","1548.5","0.5","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","1","AS1148","Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.","Phenyl Carbamidonitrile","Acta Crystallographica Section C","1995","51","7","1412","1414","10.1107/S0108270194014290","","","0.71073","MoKα","","","0.0436","","","0.0455","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003664","26.6","0.01","12.219","0.002","7.822","0.002","90","","90","","90","","2542.3","1.2","293","2","293","2","","","","","","","chemical synthesis (see Comment)","6","P b c a","-P 2ac 2ab","61","","4-[2-(methylamino)ethyl]-1,2-benzenediol 1-(dihydrogenphospate) hydrochloride","","- C9 H15 Cl N O5 P -","- C9 H15 Cl N O5 P -","- C72 H120 Cl8 N8 O40 P8 -","8","1","HA1141","Ianelli, S.; Nardelli, M.; Doggi, F.; Norcini, G.; Santangelo, F.","Hydrogen-Bonding Stabilization of <i>N</i>-Methyldopamine 4-<i>O</i>-Dihydrogenphosphate in HCl Acidic Solution: Synthesis of Z2055, a New Dopaminergic Prodrug","Acta Crystallographica Section C","1995","51","7","1338","1341","10.1107/S0108270194014721","","","1.54178","CuKα","","0.1368","0.1077","","0.2299","0.2085","","","","1.27","1.325","1.325","","","","","has coordinates","288349","2023-12-15","17:38:15",""
"2003688","14.788","0.004","7.47","0.002","24.188","0.004","90","","90","","90","","2672","1.1","293","2","293","2","","","","","","","recrystallized from benzene at room temperature","3","P b c a","-P 2ac 2ab","61","α-naphthoflavone","","","- C19 H12 O2 -","- C19 H12 O2 -","- C152 H96 O16 -","8","1","KA1111","Panneerselvam, K.; Soriano-García, M.","α-Naphthoflavone","Acta Crystallographica Section C","1995","51","7","1418","1420","10.1107/S0108270195000680","","","1.54178","CuKα","","0.05","0.0399","","0.1034","0.096","","","","1.112","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003708","8.653","0.001","11.418","0.005","18.018","0.002","90","","90","","90","","1780.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3aRS,9aSR,9bSR)-Octahydro-1H-furo[3',4':4,5]isoxazolo[2,3-a] pyridin-1-one.","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0702","0.0378","","0.1182","0.0968","","","","1.075","1.073","1.073","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003714","30.328","0.003","15.279","0.002","12.499","0.004","90","","90","","90","","5792","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-butyl-2-methyl-3-[[3-(methoxycarbonyl)thien-2-yl]methyl]- -5-[[2'-(1H-tetrazol-5-yl)]][1,1'-biphenyl)-4-yl]methyl]pyrimidin-4(3H)-one","","- C30 H30 N6 O3 S -","- C30 H30 N6 O3 S -","- C240 H240 N48 O24 S8 -","8","1","NA1145","Destro, R.; Soave, R.","A New Non-Peptide Angiotensin II Receptor Antagonist","Acta Crystallographica Section C","1995","51","7","1383","1385","10.1107/S0108270195000722","","","0.71073","MoKα","","0.2153","0.0777","","0.153","0.1281","","","","0.903","1.279","1.279","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2003716","9.891","0.002","6.492","0.001","14.84","0.002","90","","90","","90","","952.9","0.3","293","","","","","","","","","","produit Aldrich, recristallis\'e en refroidissant \`a 253 K","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N3 O2 -","- C3 H5 N3 O2 -","- C24 H40 N24 O16 -","8","1","PA1153","Tenon, J. A.; Carles, M.; Aycard, J.-P.","4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole)","Acta Crystallographica Section C","1995","51","7","1440","1442","10.1107/S0108270195000199","","","0.71073","MoKα","","","0.051","","","0.051","","","","","1.01","1.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003725","18.959","0.003","13.339","0.003","19.684","0.002","90","","90","","90","","4978","1.5","297","","","","","","","","","","Acetone","3","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C256 H160 O48 -","16","2","TA1003","Yoon, M.; Kim, Y. H.; Cho, D. W.; Suh, I.-H.; Lee, J.-H.; Ryu, B.-Y.; Park, J.-R.","2,3-Diphenylmaleic Anhydride, an Analogue of <i>cis</i>-Stilbene","Acta Crystallographica Section C","1995","51","7","1374","1377","10.1107/S0108270194013892","","","0.71069","MoKα","","","0.0657","","","0.0657","","","","","3.0897","3.0897","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003774","9.2037","0.0006","11.114","0.002","30.012","0.005","90","","90","","90","","3069.9","0.8","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Mo8 O14 Pr -","- Mo8 O14 Pr -","- Mo96 O168 Pr12 -","12","1.5","DU1118","Kerihuel, G.; Gougeon, P.","PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm)","Acta Crystallographica Section C","1995","51","8","1475","1478","10.1107/S0108270195002423","","","0.71073","MoKα","","","0.042","","","0.044","","","","","1.649","1.649","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003777","14.383","0.004","9.579","0.002","20.122","0.005","90","","90","","90","","2772.3","1.2","293","2","293","2","","","","","","","moved to publ/section/exptl/prep","3","P b c a","-P 2ac 2ab","61","","(+)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydro-anthraquinone","","- C16 H14 O5 -","- C16 H14 O5 -","- C128 H112 O40 -","8","1","FG1057","Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M.","(±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone","Acta Crystallographica Section C","1995","51","8","1641","1643","10.1107/S0108270195001107","","","1.54178","CuKα","","0.0545","0.0478","","0.1427","0.1344","","","","1.081","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003794","20.32","0.003","18.618","0.004","5.095","0.002","90","","90","","90","","1927.5","0.9","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","JZ1016","Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th.","5-Amino-8-methyl-2-quinolone Monohydrate","Acta Crystallographica Section C","1995","51","8","1689","1691","10.1107/S0108270195001867","","","1.54184","CuKα","","","0.054","","","0.062","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003806","13.188","0.002","7.722","0.001","21.178","0.003","90","","90","","90","","2156.7","0.5","298","","","","","","","","","","prepared in the laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C104 H72 N8 O8 S8 -","8","1","LI1128","Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K.","2-(4-Hydroxyphenyl)benzothiazole","Acta Crystallographica Section C","1995","51","8","1629","1630","10.1107/S0108270195002071","","","0.71069","MoKα","","","0.0371","","","0.0573","","","","","1.34","1.34","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003820","13.029","0.002","25.722","0.009","13.791","0.006","90","","90","","90","","4622","3","293","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Cl2 Cr F6 N4 P -","- C17 H24 Cl2 Cr F6 N4 P -","- C136 H192 Cl16 Cr8 F48 N32 P8 -","8","1","MU1171","Wong, W.-T.; Leung, W.-H.","<i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate","Acta Crystallographica Section C","1995","51","8","1494","1495","10.1107/S0108270195002241","","","0.71073","MoKα","","","0.074","","","0.088","","","","","3.061","3.061","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003826","7.9463","0.0015","9.549","0.005","26.364","0.006","90","","90","","90","","2000.5","1.2","293","2","293","2","","","","","","","slow evaporation of aqueous solution at 293K","4","P b c a","-P 2ac 2ab","61","","Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate","","- C8 H11 K O5 -","- C8 H11 K O5 -","- C64 H88 K8 O40 -","8","1","NA1143","Kim, S. A.","Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate","Acta Crystallographica Section C","1995","51","8","1486","1488","10.1107/S0108270195001673","","","0.71069","MoKα","","0.0674","0.0434","","0.1286","0.1121","","","","1.026","1.081","1.081","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003827","6.988","0.002","14.11","0.003","30.133","0.006","90","","90","","90","","2971.1","1.2","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","5","P b c a","-P 2ac 2ab","61","","3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C144 H96 F24 N8 O8 -","8","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0588","0.0554","","0.1543","0.1497","","","","1.181","1.212","1.212","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003853","18.278","0.012","13.866","0.007","13.52","0.005","90","","90","","90","","3427","3","193","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H27 B10 P -","- C9 H27 B10 P -","- C72 H216 B80 P8 -","8","1","AB1246","Kivekäs, R.; Sillanpää, R.; Teixidor, F.; Viñas, C.; Nuñez, R.; Abad, M.","1-Diisopropylphosphino-2-methyl-1,2-dicarba-<i>closo</i>-dodecaborane(12), (1), and 1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane(12), (2), at 193 K","Acta Crystallographica Section C","1995","51","9","1864","1868","10.1107/S0108270195002629","","","0.71073","MoKα","","","0.095","","","0.082","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003885","8.641","0.001","8.76","0.001","24.335","0.003","90","","90","","90","","1842","0.4","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Cr0.4 Li1.14 Nb0.93 O12 P3 Sc0.67 -","- Cr0.394 Li1.5 Nb0.932 O12 P3 Sc0.674 -","- Cr3.152 Li12 Nb7.456 O96 P24 Sc5.392 -","8","1","DU1115","Rivier, S.; Angenault, J.; Couturier, J.-C.; Robert, F.; Quarton, M.","Li~1.14~Nb~0.93~Sc~0.67~Cr~0.40~(PO~4~)~3~","Acta Crystallographica Section C","1995","51","9","1735","1737","10.1107/S0108270195003088","","","0.71069","MoKα","","","0.03","","","0.033","","","","","2.54","2.54","","","","","has coordinates","176342","2020-10-21","18:00:00",""
"2003922","9.0574","0.0009","11.658","0.004","25.697","0.004","90","0.013","90","0.02","90","0.02","2713.4","1.1","130","1","130","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1) endo 2-Norborneol 2,4-Dinitrobenzoate","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C112 H112 N16 O48 -","8","1","KH1023","White, J. M.; Green, A. J.","<i>endo</i>-2-Norborneol 2,4-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","9","1905","1906","10.1107/S0108270195002393","","","0.71069","MoKα","","0.0635","0.0437","","0.1366","0.1163","","","","1.152","1.132","1.132","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003930","14.301","0.006","13.037","0.005","20.981","0.014","90","","90","","90","","3912","3","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H29 N4 O12 V3 -","- C8 H29 N4 O12 V3 -","- C64 H232 N32 O96 V24 -","8","1","NA1147","Tyrselová, J.; Kuchta, L.; Pavelcík, F.","Piperazine Metavanadate Trihydrate","Acta Crystallographica Section C","1995","51","9","1752","1754","10.1107/S0108270195002022","","","0.71069","MoKα","","","0.0568","","","0.1261","","","","","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004005","5.274","0.001","12.087","0.001","20.053","0.002","90","","90","","90","","1278.3","0.3","296","2","296","2","","","","","","","SIGMA Chemical Co.","4","P b c a","-P 2ac 2ab","61","DL- PROLINE MONOHYDRATE","DL- PROLINE MONOHYDRATE","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C40 H88 N8 O24 -","8","1","HU1113","Padmanabhan, S.; Suresh, S.; Vijayan, M.","<small>DL</small>-Proline Monohydrate","Acta Crystallographica Section C","1995","51","10","2098","2100","10.1107/S0108270195003465","","","0.71068","MoKα","","0.0475","0.0391","","0.1107","0.1066","","","","1.049","1.098","1.098","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004034","10.668","0.001","14.687","0.002","18.82","0.002","90","","90","","90","","2948.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-phenyl-6,7,8,9-tetrahydro-[1,2,4]triazolo-[4,3-a]thieno[3,2-e]pyrimidin- 5(4H)-one.","","- C17 H14 N4 O S -","- C17 H13.4 N4 O S -","- C136 H107.2 N32 O8 S8 -","8","1","MU1178","Velavan, R.; Sivakumar, K.; Pathak, U. S.; Jain, K. S.; Singh, S.; Fun, H.-K.","4-Phenyl-6,7,8,9-tetrahydro-[1]benzothieno[3,2-<i>e</i>][1,2,4]triazolo[4,3-<i>a</i>]pyrimidin-5(4<i>H</i>)-one","Acta Crystallographica Section C","1995","51","10","2092","2094","10.1107/S0108270195005129","","","0.71073","MoKα","","0.0459","0.0341","","0.0996","0.0938","","","","1.037","1.112","1.112","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004146","14.928","0.003","14.999","0.002","18.952","0.002","90","","90","","90","","4243.4","1.1","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N4 O2 S -","- C22 H26 N4 O2 S -","- C176 H208 N32 O16 S8 -","8","1","KA1128","Sudha, L.; Senthil Selvan, J.; Subramanian, K.; Steiner, Th.; Koellner, G.; Srinivasan, N.; Ramdas, K.","1-(Morpholinothiocarbonyl)-3,3-(oxydiethyl)-1,2-diphenylguanidine","Acta Crystallographica Section C","1995","51","11","2323","2325","10.1107/S0108270195007165","","","1.54184","CuKα","","","0.068","","","0.073","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004182","11.742","0.003","9.1","0.002","15.705","0.003","90","","90","","90","","1678.1","0.7","297","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H12 O3 -","- C8 H11 O3 -","- C64 H88 O24 -","8","1","PT1006","Coté, M. L.; Lalancette, R. A.; Thompson, H. W.","(±)-2-Oxocyclohexaneacetic Acid: Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid","Acta Crystallographica Section C","1995","51","11","2305","2307","10.1107/S0108270195006640","","","0.71073","MoKα","","","0.0446","","","0.0529","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004214","8.854","0.004","9.832","0.004","27.11","0.008","90","","90","","90","","2360","1.6","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","BM1013","Judas, N.; Kaitner, B.; Mestrovic, E.","1,3-Diphenylpropan-1-one","Acta Crystallographica Section C","1995","51","12","2656","2658","10.1107/S0108270195008730","","","0.71073","MoKα","","","0.037","","","0.061","","","","","1.21","1.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004221","18.479","0.004","14.511","0.005","14.389","0.004","90","","90","","90","","3858.4","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonylbis(3-aminopropyl)phenylphosphinemolybdenum(0)","","- C16 H21 Mo N2 O4 P -","- C16 H21 Mo N2 O4 P -","- C128 H168 Mo8 N16 O32 P8 -","8","1","CF1007","Hursthouse, M. B.; Malik, K. M. A.; Beckett, M. A.","[Bis(3-aminopropyl)phenylphosphine-<i>N</i>,<i>P</i>]tetracarbonylmolybdenum(0)","Acta Crystallographica Section C","1995","51","12","2480","2482","10.1107/S0108270195007426","","","0.71069","MoKα","","0.0886","0.0362","","0.1275","0.0858","","","","0.653","0.617","0.617","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004242","6.531","0.006","11.659","0.002","32.198","0.007","90","","90","","90","","2452","2","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","η-Cyclopentadienyl-oxoperoxo(trimethylsilylmethyl)tungsten","","- C9 H16 O3 Si W -","- C9 H16 O3 Si W -","- C72 H128 O24 Si8 W8 -","8","1","FG1059","Legzdins, P.; Phillips, E. C.; Trotter, J.; Yee, V. C.","(η^5^-Cyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten and the Related (η^5^-Pentamethylcyclopentadienyl)oxo(peroxo-<i>O</i>,<i>O</i>')(trimethylsilylmethyl)tungsten-Tetracyanoethylene (2/1) Complex","Acta Crystallographica Section C","1995","51","12","2498","2501","10.1107/S0108270195004951","","","0.7093","MolybdenumKα~1~","","","0.084","","","0.114","","","","","4.1","4.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004259","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H23 N2 Ni O2 -","- C184 H184 N16 Ni8 O16 -","8","1","JZ1023","Elmali, A.; Atakol, O.; Svoboda, I.; Fuess, H.","{1-[(2-Hydroxybenzylidene)aminomethyl]-naphthalen-2-olato(2‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1995","51","12","2520","2522","10.1107/S0108270195007025","","","0.71093","MoKα","","0.1333","0.0377","","0.1202","0.0886","","","","0.998","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004284","33.131","0.003","7.792","0.001","7.256","0.001","90","","90","","90","","1873.2","0.4","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4-nitroanilinium)tetrachlorocadmate","","- C12 H14 Cd Cl4 N4 O4 -","- C12 H14 Cd Cl4 N4 O4 -","- C48 H56 Cd4 Cl16 N16 O16 -","4","0.5","KH1041","Azumi, R.; Honda, K.; Goto, M.; Akimoto, J.; Oosawa, Y.; Tachibana, H.; Nakamura, T.; Tanaka, M.; Matsumoto, M.","Bis(4-nitroanilinium) Tetrachlorocadmate","Acta Crystallographica Section C","1995","51","12","2534","2537","10.1107/S0108270195007384","","","0.7107","MoKα","","","0.028","","","0.034","","","","","2.17","2.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004335","10.48","0.003","8.926","0.003","19.503","0.006","90","","90","","90","","1824.4","1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N S2 -","- C9 H9 N S2 -","- C72 H72 N8 S16 -","8","1","AB1284","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","5-<i>tert</i>-Butylthiazolidine-2-thione and 5-Phenylthiazolidine-2-thione","Acta Crystallographica Section C","1996","52","1","215","218","10.1107/S0108270195010699","","","0.71073","MoKα","","","0.038","","","0.04","","","","","1.223","1.223","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004382","20.275","0.006","17.006","0.004","11.038","0.004","90","","90","","90","","3806","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(dl)-Pheniramine hydrogen maleate","","","- C20 H2 N O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","FG1077","Parvez, M.; Rusiewicz, M.","<small>DL</small>-Pheniramine Hydrogen Maleate","Acta Crystallographica Section C","1996","52","1","83","85","10.1107/S010827019501047X","","","0.71069","MoKα","","","0.069","","","0.069","","","","","2.64","2.64","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004386","8.446","0.003","23.76","0.08","10.454","0.002","90","","90","","90","","2098","7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","1","HA1147","Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C.","<i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact","Acta Crystallographica Section C","1996","52","1","136","139","10.1107/S0108270195011577","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004391","7.5415","0.001","18.3253","0.0024","13.382","0.003","90","","90","","90","","1849.4","0.5","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Ge O8 -","- C16 H24 Ge O8 -","- C64 H96 Ge4 O32 -","4","0.5","HU1094","Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.","Bis(1,2-benzenediolato)dimethanolgermanium(IV)","Acta Crystallographica Section C","1996","52","1","31","33","10.1107/S0108270195007463","","","0.7107","MoKα","","","0.035","","","0.039","","","","","2.36","2.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004413","10.888","0.001","9.381","0.001","26.597","0.003","90","","90","","90","","2716.6","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-dibenzylthiourea.","","- C15 H16 N2 S -","- C15 H16 N2 S -","- C120 H128 N16 S8 -","8","1","MU1200","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea","Acta Crystallographica Section C","1996","52","1","139","142","10.1107/S0108270195009875","","","0.71073","MoKα","","0.0537","0.0395","","0.114","0.1064","","","","1.032","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004455","9.708","0.002","14.039","0.001","26.302","0.002","90","","90","","90","","3584.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Oxymetazoline hydrochloride monohydrate","3-[(4,5-dihydro-1H-imidazole-2-yl)methyl]-6-(1,1-dimethylethyl) -2,4-dimethylphenol Hydrochloride monohydrate.","","- C16 H27 Cl N2 O2 -","- C16 H27 Cl N2 O2 -","- C128 H216 Cl8 N16 O16 -","8","1","VJ1028","Sengupta, R.; Dattagupta, J. K.","An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate","Acta Crystallographica Section C","1996","52","1","164","166","10.1107/S0108270195011401","","","1.54178","CuKα","","0.0828","0.0793","","0.223","0.2193","","","","1.105","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004464","11.2","0.01","7.627","0.007","17.56","0.01","90","","90","","90","","1500","2","298","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","0.5","AS1191","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl","Acta Crystallographica Section C","1996","52","2","397","400","10.1107/S0108270195011929","","","0.71073","MoKα","","","0.0354","","","0.0437","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004525","20.66","0.002","7.706","0.001","29.217","0.004","90","","90","","90","","4651.5","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","","- C24 H32 O7 -","- C24 H32 O7 -","- C192 H256 O56 -","8","1","MU1215","Fun, H.-K.; Sivakumar, K.; Yip, B.-C.; Othman, A. H.; Said, I. M.","αββα-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran","Acta Crystallographica Section C","1996","52","2","414","416","10.1107/S0108270195012054","","","0.71073","MoKα","","0.0824","0.047","","0.2237","0.1343","","","","0.935","1.037","1.037","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004539","10.181","0.004","28.9","0.01","10.071","0.002","90","","90","","90","","2963.2","1.7","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Isoxazolidines","(3α,3aα,6aα)-(hexahydro-2-phenylfuro[3,2-d]isoxazol-3-yl)phenylmethanone","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","1","SX1007","Niwayama, S.; You, Y.; Houk, K. N.; Khan, S. I.","Two Isoxazolidines","Acta Crystallographica Section C","1996","52","2","486","489","10.1107/S0108270195013692","","","1.5418","CuKα","","0.162","0.048","","0.111","0.059","","","","1.779","1.337","1.337","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2004572","13.9887","0.0009","23.444","0.001","7.8082","0.0006","90","","90","","90","","2560.7","0.3","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","AS1210","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","Coumarin 343, C~16~H~15~NO~4~","Acta Crystallographica Section C","1996","52","3","679","681","10.1107/S0108270195012820","","","1.54184","CuKα","","","0.044","","","0.058","","","","","2.56","2.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004628","9.248","0.001","10.942","0.001","11.199","0.001","90","","90","","90","","1133.24","0.19","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","hydrazinium pentafluoroaquagallate","","- F5 Ga H8 N2 O -","- F5 Ga H8 N2 O -","- F40 Ga8 H64 N16 O8 -","8","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.037","0.026","","0.024","0.019","","","","1.162","1.026","1.026","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004660","14.63","0.004","12.616","0.003","11.709","0.003","90","","90","","90","","2161.2","1","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cl O Ti -","- C11 H13 Cl O Ti -","- C88 H104 Cl8 O8 Ti8 -","8","1","SX1010","Gibson, D. H.; Ding, Y.; Mashuta, M. S.; Richardson, J. F.","Chlorobis(η^5^-cyclopentadienyl)methoxytitanium","Acta Crystallographica Section C","1996","52","3","559","560","10.1107/S0108270195012297","","","0.71073","MoKα","","","0.039","","","0.04","","","","","2.13","2.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004665","17.578","0.003","9.909","0.004","22.945","0.004","90","","90","","90","","3996.6","1.9","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl Ni P -","- C23 H20 Cl Ni P -","- C184 H160 Cl8 Ni8 P8 -","8","1","TA1050","Hockless, D. C. R.; Whittall, I. R.; Humphrey, M. G.","Chloro(η^5^-cyclopentadienyl)(triphenylphosphine)nickel(II)","Acta Crystallographica Section C","1996","52","3","535","537","10.1107/S0108270195011103","","","0.7107","MoKα","","","0.0323","","","0.021","","","","","1.728","1.728","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004707","8.104","0.001","9.975","0.001","9.986","0.002","90","","90","","90","","807.2","0.2","195","3","195","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromo-1,4-disilabutane","","- C2 H8 Br2 Si2 -","- C2 H8 Br2 Si2 -","- C8 H32 Br8 Si8 -","4","0.5","CF1041","Mitzel, N. W.; Riede, J.; Schmidbaur, H.","1,4-Dibromo-1,4-disilabutane","Acta Crystallographica Section C","1996","52","4","980","982","10.1107/S010827019501451X","","","0.71069","MoKα","","0.0485","0.0315","","0.0779","0.0676","","","","1.168","1.243","1.243","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004714","11.873","0.002","14.322","0.004","17.541","0.006","90","","90","","90","","2982.8","1.4","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","1","DE1005","Ghosh, K.; Pramanik, A.","(1<i>RS</i>,4a<i>SR</i>,12a<i>SR</i>)-1-Methyl-1,2,3,4,4a,5,6,7,12,12a-decahydrodibenzo[<i>a</i>,<i>d</i>]cyclooctene-1,4a-carbolactone","Acta Crystallographica Section C","1996","52","4","1029","1030","10.1107/S0108270195013199","","","0.71073","MoKα","","","0.0708","","","0.0705","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004730","15.442","0.003","14.865","0.004","30.383","0.007","90","","90","","90","","6974","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H32 Cu2 I2 N6 O2 -","- C32 H32 Cu2 I2 N6 O2 -","- C256 H256 Cu16 I16 N48 O16 -","8","1","FG1121","Bhaduri, S.; Rugmini, V.; Sapre, N. Y.; Jones, P. G.","Dimeric Iodo[1,1-di(2-pyridyl)-3-butenolato]copper(II) Bis(acetonitrile) Solvate, [Cu~2~(C~14~H~13~N~2~O)~2~I~2~].2CH~3~CN","Acta Crystallographica Section C","1996","52","4","804","806","10.1107/S0108270195013953","","","0.71073","MoKα","","0.0639","0.0344","","0.0973","0.0766","","","","1.072","1.016","1.016","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2004742","7.573","0.002","21.152","0.005","11.756","0.002","90","","90","","90","","1883.1","0.7","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H7 N O4 -","- C10 H7 N O4 -","- C80 H56 N8 O32 -","8","1","HU1020","Feeder, N.; Jones, W.","Structures of Five ω-Phthalimidoaliphatic Carboxylic Acids","Acta Crystallographica Section C","1996","52","4","913","919","10.1107/S010827019501626X","","","0.71069","Mo","","","0.066","","","0.066","","","","","1.949","1.949","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004777","20.738","0.007","9.791","0.003","30.251","0.01","90","","90","","90","","6142","3","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]- 5-phenyl-6-dimethoxymethyl-1H-imidazopyridine","","- C33 H33 N7 O2 -","- C33 H33 N7 O2 -","- C264 H264 N56 O16 -","8","1","KH1056","Shin, W.; Yoon, T.-S.; Yoo, S. E.","A Non-Peptide Angiotensin II Receptor Antagonist: 2-Butyl-6-dimethoxymethyl-5-phenyl-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine","Acta Crystallographica Section C","1996","52","4","1019","1022","10.1107/S0108270195011978","","","1.5418","CuKα","","0.2565","0.1066","","0.3363","0.2575","","","","1.327","1.824","1.824","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004835","8.2","0.008","13.326","0.009","32.093","0.006","90","","90","","90","","3507","4","294","","","","","","","","","","","5","P b c a","","","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C144 H136 N8 O40 S8 -","8","1","BK1150","Kumaradhas, P.; Nirmala, K. A.","<i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide","Acta Crystallographica Section C","1996","52","5","1259","1261","10.1107/S0108270195015411","","","0.7093","MoKα","","","0.0455","","","0.1374","","","","","1.205","1.205","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004836","8.752","0.002","27.084","0.005","17.973","0.002","90","","90","","90","","4260.3","1.3","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C16 H38 Cl N O4 -","- C16 H38 Cl N O4 -","- C128 H304 Cl8 N8 O32 -","8","1","BK1156","Miguel, O. G.; Pizzolatti, M. G.; Yunes, R. A.; Vencato, I.; Calixto, J. B.; Santos, A. R. S.; Contin, A.; Moreira, E. A.","<i>cis</i>-8,10-Di-<i>n</i>-propyllobelidiol Hydrochloride Dihydrate","Acta Crystallographica Section C","1996","52","5","1223","1225","10.1107/S0108270195014636","","","0.7093","MoKα","","","0.0609","","","0.067","","","","","4.45","4.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004848","14.815","0.002","14.264","0.002","10.55","0.002","90","","90","","90","","2229.4","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1SR,2SR,6RS,7RS) 2-acetoxy-10-oxatricyclo[5.3.1.0^2,6^]undecan-11-one","","- C12 H16 O4 -","- C12 H16 O4 -","- C96 H128 O32 -","8","1","BM1024","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate","Acta Crystallographica Section C","1996","52","5","1243","1248","10.1107/S0108270195014417","","","1.54178","CuKα","","0.059","0.0493","","0.1309","0.1076","","","","1.123","1.119","1.119","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004900","6.374","0.001","9.917","0.002","26.743","0.003","90","","90","","90","","1690.5","0.5","293","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H12 O5 -","- C7 H12 O5 -","- C56 H96 O40 -","8","1","LI1141","Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U.","Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate","Acta Crystallographica Section C","1996","52","5","1298","1299","10.1107/S0108270195015812","","","0.71073","MoKα","","0.0711","0.0472","","0.3476","0.1185","","","","1.082","1.068","1.068","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2004927","11.792","0.002","8.563","0.002","13.061","0.004","90","","90","","90","","1318.8","0.6","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl2 N4 Ru -","- C8 H12 Cl2 N4 Ru -","- C32 H48 Cl8 N16 Ru4 -","4","0.5","TA1049","Bown, M.; Hockless, D. C. R.","<i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~]","Acta Crystallographica Section C","1996","52","5","1105","1106","10.1107/S0108270195015320","","","0.7107","MoKα","","","0.0208","","","0.0165","","","","","1.577","1.577","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004970","7.63","0.001","35.156","0.005","8.505","0.001","90","","90","","90","","2281.4","0.5","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","1","DE1008","Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.; Agarwal, S. G.","7-Methoxyvasicinone Hydrate","Acta Crystallographica Section C","1996","52","6","1491","1493","10.1107/S0108270195010870","","","0.71073","MoKα","","","0.049","","","0.149","","","","","0.703","0.703","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004971","10.683","0.002","16.996","0.005","18.77","0.003","90","","90","","90","","3408","1.3","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","DE1018","Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M.","<i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~","Acta Crystallographica Section C","1996","52","6","1563","1565","10.1107/S0108270195015149","","","1.54184","CuKα","","","0.045","","","0.053","","","","","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005094","9.391","0.002","11.14","0.002","20.373","0.004","90","","90","","90","","2131.3","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2,3,4-tetrahydro-1,4-disulfinylphenanthrene","","- C12 H10 O2 S2 -","- C12 H10 O2 S2 -","- C96 H80 O16 S16 -","8","1","BM1051","Martinez-Alcazar, M. P.; Fonseca, I.; Cano, F. H.","2,3-Dihydro-1,4-dithiaphenanthrene 1,4-Dioxide","Acta Crystallographica Section C","1996","52","7","1787","1789","10.1107/S0108270196001771","","","1.5418","CuKα","","0.0818","0.0435","","0.1058","0.0917","","","","0.883","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005109","16.949","0.002","17.907","0.002","19.662","0.003","90","","90","","90","","5967.5","1.3","294","1","294","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(α-Ferrocenylphenacyl)triphenylphosphonium iodide","","- C36 H30 Fe I O P -","- C36 H30 Fe I O P -","- C288 H240 Fe8 I8 O8 P8 -","8","1","CF1086","Ahmed, S. Z.; Glidewell, C.; Ferguson, G.","Racemic (α-Ferrocenylphenacyl)triphenylphosphonium Iodide","Acta Crystallographica Section C","1996","52","7","1634","1636","10.1107/S0108270196003538","","","0.7107","MolybdenumKα","","0.1953","0.0552","","0.1132","0.0911","","","","0.802","1.151","1.151","","","","","has coordinates","192293","2020-10-21","18:00:00",""
"2005129","11.804","0.003","11.392","0.003","16.256","0.004","90","","90","","90","","2186","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","JZ1093","Wouters, J.; Häming, L.; Sheldrick, G.","HEPES","Acta Crystallographica Section C","1996","52","7","1687","1688","10.1107/S0108270196001187","","","1.54178","CuKα","","0.0501","0.0487","","0.1362","0.1334","","","","1.103","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005174","22.934","0.005","21.728","0.004","11.217","0.002","90","","90","","90","","5589.5","1.9","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,9-Di(hydroxymethyl)-3',4,11-trimethoxy-5'-[2''-hydroxy-5''- hydroxymethyl-3''-methoxyphenyl]dibenzo[d,f][1,3]dioxepin-2-spiro- 4'-cyclohexa-2',5'-dienone","","- C31 H30 O11 -","- C31 H30 O11 -","- C248 H240 O88 -","8","1","PA1229","Pajunen, A.; Karhunen, P.; Brunow, G.","5'-(2-Hydroxy-5-hydroxymethyl-3-methoxyphenyl)-6,9-bis(hydroxymethyl)-3',4,11-trimethoxydibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine-2-spiro-4'-cyclohexa-2',5'-dienone","Acta Crystallographica Section C","1996","52","7","1815","1817","10.1107/S0108270196003654","","","0.71073","MoKα","","0.0927","0.0547","","0.1379","0.1259","","","","0.861","1.138","1.138","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005180","9.808","0.001","11.591","0.002","17.86","0.001","90","","90","","90","","2030.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-biphenol monohydrate","","- C12 H12 O3 -","- C12 H12 O3 -","- C96 H96 O24 -","8","1","SK1012","Chen, X.-M.; Luo, G.-B.; Tong, M.-L.; Zhou, Z.-Y.","2,2'-Biphenol Monohydrate","Acta Crystallographica Section C","1996","52","7","1727","1729","10.1107/S0108270196002065","","","0.71073","MoKα","","0.0772","0.0474","","0.1422","0.1211","","","","1.022","1.084","1.084","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005184","9.937","0.004","9.192","0.001","14.417","0.003","90","","90","","90","","1316.9","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-chlorobenzimidazole","","","- C7 H5 Cl N2 -","- C7 H5 Cl N2 -","- C56 H40 Cl8 N16 -","8","1","SZ1041","Panneerselvam, K.; Soriano-García, M.","2-Chlorobenzimidazole","Acta Crystallographica Section C","1996","52","7","1799","1801","10.1107/S0108270195017203","","","1.54178","CuKα","","0.0499","0.0482","","0.1736","0.1515","","","","1.231","1.259","1.259","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005199","9.9456","0.0009","21.011","0.001","14.179","0.001","90","","90","","90","","2962.9","0.4","122","1","122","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-cyano-3-phenylazo-2-butenal carbazidoethylester-imin","","- C14 H15 N5 O2 -","- C14 H15 N5 O2 -","- C112 H120 N40 O16 -","8","1","AB1357","Flensburg, C.; Jensen, J.; Larsen, S.; Dehaen, W.","Ethyl 3-(2-Cyano-3-phenylazo-2-butenylidene)carbazoate at 122K","Acta Crystallographica Section C","1996","52","8","2093","2095","10.1107/S0108270196003095","","","1.54184","CuKα","","0.0501","0.035","","0.0829","0.0763","","","","1.014","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005221","11.851","0.006","15.298","0.009","27.35","0.02","90","","90","","90","","4958","5","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","N-p-Tolyl-2-chloro-5-p-tolouylamino-4-p-tolylamino-6-pyrimidinecarboxyamide","","- C27 H24 Cl N5 O2 -","- C27 H24 Cl N5 O2 -","- C216 H192 Cl8 N40 O16 -","8","1","BM1069","Mazurek, J.; Lis, T.; Jasztold-Howorko, R.","Orthorhombic and Triclinic Forms of 2-Chloro-5-<i>p</i>-toluoylamino-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide and 2-Chloro-5-(<i>p</i>-chlorobenzoylamino)-<i>N</i>-<i>p</i>-tolyl-4-<i>p</i>-tolylamino-6-pyrimidinecarboxamide","Acta Crystallographica Section C","1996","52","8","2106","2111","10.1107/S0108270196005616","","","1.5418","CuKα","","0.0425","0.0425","","0.1161","0.1161","","","","1.039","1.039","1.039","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005306","9.932","0.001","35.972","0.006","30.363","0.004","90","","90","","90","","10848","3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H25 N O Se Sn -","- C31 H25 N O Se Sn -","- C496 H400 N16 O16 Se16 Sn16 -","16","2","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","0.71073","MoKα","","0.0779","0.039","","0.0786","0.0625","","","","1.022","1.141","1.141","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005307","9.777","0.002","16.692","0.002","15.82","0.001","90","","90","","90","","2581.8","0.6","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-methylseleno-N-phenylbenzamide","","- C14 H13 N O Se -","- C14 H13 N O Se -","- C112 H104 N8 O8 Se8 -","8","1","TA1069","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","<i>N</i>-Phenyl-2-(triphenylstannylseleno)benzamide and 2-Methylseleno-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1996","52","8","1886","1889","10.1107/S0108270196000790","","","1.5418","CuKα(nickelfiltered)","","0.0392","0.029","","0.0795","0.0731","","","","1.049","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005335","13.4121","0.0001","13.6816","0.0001","13.8558","0.0001","90","","90","","90","","2542.53","0.03","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cd O12 Rb2 Si5 -","- Cd O12 Rb2 Si5 -","- Cd8 O96 Rb16 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.40285","synchrotron","","","0.073","","","0.165","","","","","0.903","0.903","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005336","13.6878","0.0003","13.7931","0.0003","13.7575","0.0003","90","","90","","90","","2597.38","0.1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Mn O12 Si5 -","- Cs2 Mn O12 Si5 -","- Cs16 Mn8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.29969","synchrotron","","","0.126","","","0.14","","","","","1.019","1.019","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005337","13.6487","0.0004","13.712","0.0004","13.6828","0.0004","90","","90","","90","","2560.75","0.13","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Co Cs2 O12 Si5 -","- Co Cs2 O12 Si5 -","- Co8 Cs16 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","1.30138","synchrotron","","","0.059","","","0.128","","","","","0.821","0.821","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005338","13.6147","0.0003","13.6568","0.0005","13.6583","0.0005","90","","90","","90","","2539.53","0.14","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs2 Ni O12 Si5 -","- Cs2 Ni O12 Si5 -","- Cs16 Ni8 O96 Si40 -","8","1","BR1125","Bell, A. M. T.; Henderson, C. M. B.","Rietveld Refinement of the Orthorhombic <i>Pbca</i> Structures of Rb~2~CdSi~5~O~12~, Cs~2~MnSi~5~O~12~, Cs~2~CoSi~5~O~12~ , and Cs~2~NiSi~5~O~12~ Leucites by Synchrotron X-ray Powder Diffraction","Acta Crystallographica Section C","1996","52","9","2132","2139","10.1107/S0108270196003162","","","0.9982","synchrotron","","","0.057","","","0.091","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005356","9.9062","0.001","9.838","0.001","24.061","0.003","90","","90","","90","","2344.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cyclophosphamide","N,N-Bis(2-chloroethyl)-tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide","","- C7 H15 Cl2 N2 O2 P -","- C7 H15 Cl2 N2 O2 P -","- C56 H120 Cl16 N16 O16 P8 -","8","1","FG1178","Jones, P. G.; Thönnessen, H.; Fischer, A.; Neda, I.; Schmutzler, R.; Engel, J.; Kutscher, B.; Niemeyer, U.","The Anhydrous Racemate of the Carcinostatic Agent Cyclophosphamide and the Bicyclic Degradation Product 1-(2-Chloroethyl)tetrahydro-1<i>H</i>,5<i>H</i>-1,3,2-diazaphospholo[2,1-<i>b</i>][1,3,2]oxazaphosphorine 9-Oxide","Acta Crystallographica Section C","1996","52","9","2359","2363","10.1107/S0108270196004866","","","0.71073","MoKα","","0.0513","0.0351","","0.0901","0.0839","","","","0.971","1.069","1.069","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005402","14.654","0.001","14.385","0.001","15.897","0.001","90","","90","","90","","3351.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tris(4-chlorophenyl)phosphine.","","- C18 H12 Cl3 P -","- C18 H12 Cl3 P -","- C144 H96 Cl24 P8 -","8","1","MU1256","bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.","Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine","Acta Crystallographica Section C","1996","52","9","2243","2245","10.1107/S0108270196004337","","","0.71073","MoKα","","0.0784","0.0402","","0.1053","0.0931","","","","0.881","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005406","11.13","0.004","13.028","0.004","24.74","0.02","90","","90","","90","","3587","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2,7,7-Trimethyl-4(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolyl- 3-carboxylate","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","NA1225","Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.","Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone","Acta Crystallographica Section C","1996","52","9","2356","2359","10.1107/S0108270196004611","","","0.71073","MoKα","","0.1638","0.0502","","0.1492","0.1132","","","","1.037","1.167","1.167","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005446","11.8328","0.0016","7.5583","0.0014","12.387","0.003","90","","90","","90","","1107.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 5","4-methylpyridazin-3(2H)-one","","- C5 H6 N2 O -","- C5 H6 N2 O -","- C40 H48 N16 O8 -","8","1","AB1367","Blake, A. J.; McNab, H.","Four Simple Pyridazin-3(2<i>H</i>)-ones","Acta Crystallographica Section C","1996","52","10","2622","2627","10.1107/S0108270196005355","","","0.71073","MoKα","","0.207","0.0566","","0.1738","0.1085","","","","0.933","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005480","13.2001","0.0012","19.4239","0.0015","15.1868","0.0013","90","","90","","90","","3893.9","0.6","297","","297","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[N-2-propylsalicylideneamino]cobalt(II)","","- C20 H24 Co N2 O2 -","- C20 H24 Co N2 O2 -","- C160 H192 Co8 N16 O16 -","8","1","CF1056","Elerman, Y.; Kabak, M.; Tahir, M. N.","Bis(<i>N</i>-2-propylsalicylideneamino-<i>N</i>,<i>O</i>)cobalt(II)","Acta Crystallographica Section C","1996","52","10","2434","2436","10.1107/S0108270196007111","","","0.71073","MoKα","","","0.035","","","0.04","","","","","1.27","1.27","","","","","has coordinates","198529","2020-10-21","18:00:00",""
"2005484","15.7468","0.0004","17.3677","0.0005","11.5306","0.0004","90","","90","","90","","3153.45","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CF1094","Benecke, B.; Bolte, M.","<i>trans</i>- and <i>cis</i>-2,5-Dimethoxy-3,6-diphenyl-3,6-dihydropyrazine","Acta Crystallographica Section C","1996","52","10","2586","2588","10.1107/S0108270196006634","","","1.5418","CuKα","","0.0415","0.0387","","0.1055","0.102","","","","1.079","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005491","9.673","0.001","6.992","0.003","22.867","0.003","90","","90","","90","","1546.6","0.7","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trieuropium Boron Disilicate","","- B Eu3 O10 Si2 -","- B Eu3 O10 Si2 -","- B8 Eu24 O80 Si16 -","8","1","DU1155","Chi, L.; Chen, H.; Deng, S.; Zhuang, H.; Huang, J.","A New Europium Borosilicate, Eu~3~BSi~2~O~10~","Acta Crystallographica Section C","1996","52","10","2385","2387","10.1107/S0108270196005069","","","0.71073","MoKα","","","0.0527","","","0.0608","","","","","0.61","0.61","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005502","8.1325","0.0001","26.5942","0.0003","29.8727","0.0005","90","","90","","90","","6460.79","0.15","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Monospiro(2,3-naphthalenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene","","","- C34 H22 F4 N3 O6 P3 -","- C34 H22 F4 N3 O6 P3 -","- C272 H176 F32 N24 O48 P24 -","8","1","FG1172","Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.","Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups","Acta Crystallographica Section C","1996","52","10","2515","2520","10.1107/S0108270196005859","","","0.71073","MoKα","","0.0777","0.0468","","0.1125","0.0818","","","","1.085","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005561","8.3438","0.0008","14.8912","0.0015","15.5405","0.0013","90","","90","","90","","1930.9","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[N-(1,2,3,4-tetrahydroquinolinyl)]prop-2-enal","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","1","AB1382","Blake, A. J.; McNab, H.; Monahan, L. C.; Parsons, S.; Stevenson, E.","Two C-Unsubstituted Enaminals","Acta Crystallographica Section C","1996","52","11","2814","2818","10.1107/S0108270196007020","","","0.71073","MoKα","","0.0584","0.0345","","0.1229","0.0773","","","","1.034","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005578","8.615","0.001","9.954","0.001","29.684","0.002","90","","90","","90","","2545.5","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Z-(O-Benzoyl)-2-aci-nitro-2-phenylacetonitrile","","- C15 H10 N2 O3 -","- C15 H10 N2 O3 -","- C120 H80 N16 O24 -","8","1","BK1280","Powell, D. R.; Hanson, P. E.; Gellman, S. H.","(<i>Z</i>)-2-(Benzoyl-<i>aci</i>-nitro)-2-phenylacetonitrile","Acta Crystallographica Section C","1996","52","11","2945","2946","10.1107/S0108270196010827","","","1.54178","CuKα","","0.0398","0.037","","0.104","0.102","","","","1.095","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005584","5.974","0.0004","8.2261","0.0007","40.685","0.004","90","","90","","90","","1999.4","0.3","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Phenylindazole","","- C13 H10 N2 -","- C13 H10 N2 -","- C104 H80 N16 -","8","1","BM1080","Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S.","5-Phenylindazole","Acta Crystallographica Section C","1996","52","11","2894","2896","10.1107/S0108270196007068","","","1.5418","CuKα","","0.065","0.038","","0.057","0.044","","","","0.456","0.424","0.424","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005595","9.2943","0.0011","11.6858","0.001","31.698","0.002","90","","90","","90","","3442.8","0.5","296","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Hydroxy-5-methylphenyl)salicylaldiminodiethylaminonickel(II)","","- C18 H22 N2 Ni O2 -","- C18 H22 N2 Ni O2 -","- C144 H176 N16 Ni8 O16 -","8","1","CF1069","Ercan, F.; Sari, M.; Yaǧbasan, R.; Taştekin, M.; Aksu, L.","(Diethylamine-<i>N</i>){4-methyl-2-[(2-oxidobenzylidene)amino]phenolato(2‒)-<i>O</i>,<i>N</i>,<i>O</i>'}nickel(II)","Acta Crystallographica Section C","1996","52","11","2682","2684","10.1107/S010827019600964X","","","0.71073","MoKα","","","0.065","","","0.085","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005597","20.977","0.004","8.943","0.002","25.504","0.005","90","","90","","90","","4784.5","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-thione-3(N)-[9'(2''-methoxy-6''-chloro)acridinyl]-5-[2'-(di ethylamino)ethylthio]]-1,3,4-thiadiazole","","- C22 H23 Cl N4 O S3 -","- C22 H23 Cl N4 O S3 -","- C176 H184 Cl8 N32 O8 S24 -","8","1","CF1083","Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J.","A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties","Acta Crystallographica Section C","1996","52","11","2939","2941","10.1107/S0108270196007135","","","1.54178","CuKα","","0.0978","0.064","","0.209","0.1745","","","","1.043","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005640","14.14","0.005","8.028","0.002","25.133","0.004","90","","90","","90","","2853","1.3","291","","291","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitro-α-methoxy-trans-chalcone","3-(4-Nitro-phenyl)-2-methoxy-1-phenyl-prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","KA1206","Bolte, M.; Schütz, G.; Bader, H. J.","Two Nitro-α-methoxy-<i>trans</i>-chalcones","Acta Crystallographica Section C","1996","52","11","2807","2809","10.1107/S0108270196007913","","","1.5418","CuKα","","0.0758","0.0575","","0.176","0.1601","","","","1.063","1.162","1.162","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005655","18.308","0.002","7.262","0.001","22.805","0.003","90","","90","","90","","3032","0.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cu N3 O4 -","- C14 H17 Cu N3 O4 -","- C112 H136 Cu8 N24 O32 -","8","1","MU1236","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Svajlenová, O.","Aqua(3,5-dimethylpyrazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1996","52","11","2763","2766","10.1107/S0108270196008578","","","0.71073","MoKα","","","0.0472","","","0.1161","","","","","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005679","17.513","0.005","14.897","0.006","19.587","0.008","90","","90","","90","","5110","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C33 H28 O5 -","- C33 H28 O5 -","- C264 H224 O40 -","8","1","PT1008","Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.","Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene","Acta Crystallographica Section C","1996","52","11","2797","2800","10.1107/S0108270196005197","","","0.71073","MoKα","","0.0689","0.0389","","0.1041","0.0975","","","","0.97","1.222","1.222","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005684","7.603","0.001","13.634","0.002","13.405","0.002","90","","90","","90","","1389.6","0.3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-aconitic acid","1-propene-cis(1,2),3-tricarboxylic acid","","- C6 H6 O6 -","- C6 H6 O6 -","- C48 H48 O48 -","8","1","SK1040","Nagel, N.; Endruschat, U.; Bock, H.","<i>cis</i>-Aconitic Acid at 150K","Acta Crystallographica Section C","1996","52","11","2912","2915","10.1107/S0108270196008220","","","0.71073","MoKα","","0.0505","0.0375","","0.0995","0.0917","","","","1.029","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005692","8.856","0.001","24.985","0.002","10.507","0.001","90","","90","","90","","2324.9","0.4","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1H)-one Methanol Solvate","","- C11 H15 N3 O2 -","- C11 H14 N3 O2 -","- C88 H112 N24 O16 -","8","1","TA1096","Collins, D. J.; Hughes, T. C.; Johnson, W. M.; Mackay, M. F.","2-Methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one Methanol Solvate and 4-Methyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1<i>H</i>)-one","Acta Crystallographica Section C","1996","52","11","2865","2868","10.1107/S0108270196008335","","","1.5418","CuKα","","","0.05","","","0.131","","","","","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005694","13.841","0.002","9.308","0.003","26.308","0.006","90","0.02","90","0.02","90","0.02","3389.3","1.4","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 N2 O5 S -","- C16 H22 N2 O5 S -","- C128 H176 N16 O40 S8 -","8","1","TA1098","White, J. M.; Giordano, J.; Green, A. J.","<i>trans</i>-4-<i>tert</i>-Butylcyclohexyl 2,4-Dinitrobenzenesulfenate","Acta Crystallographica Section C","1996","52","11","2783","2785","10.1107/S0108270196008347","","","1.5418","CuKα(Ni-filtered)","","0.0552","0.0384","","0.1001","0.0898","","","","1.028","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005730","7.974","0.002","21.692","0.004","10.038","0.007","90","","90","","90","","1736.3","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 B2 Cu F8 N4 -","- C12 H16 B2 Cu F8 N4 -","- C48 H64 B8 Cu4 F32 N16 -","4","0.5","BM1074","Narayanan, B.; Bhadbhade, M. M.","Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate)","Acta Crystallographica Section C","1996","52","12","3049","3051","10.1107/S0108270196007354","","","0.71073","MoKα","","0.0628","0.0346","","0.1014","0.0925","","","","0.991","1.168","1.168","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005740","12.454","0.007","11.382","0.008","17.841","0.007","90","","90","","90","","2529","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-diphenyl-4-imidazoline-2-thione","","- C15 H12 N2 S -","- C15 H12 N2 S -","- C120 H96 N16 S8 -","8","1","BM1103","Cox, P. J.; Sohal, B.; Skellern, G. G.; Love, S. W.; Shankland, N.","1,3-Diphenyl-4-imidazoline-2-thione","Acta Crystallographica Section C","1996","52","12","3152","3154","10.1107/S0108270196010931","","","0.71073","MoKα","","0.0941","0.0492","","0.1075","0.0971","","","","0.82","1.032","1.032","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005785","17.5555","0.0011","7.3717","0.0007","26.736","0.002","90","","90","","90","","3460","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(Z)-2-acetoxy-3,3',4'-trimethoxystilbene","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","KA1212","Li, S.; Lundquist, K.; Stomberg, R.","(<i>Z</i>)-2-Acetoxy-3,3',4'-trimethoxystilbene","Acta Crystallographica Section C","1996","52","12","3118","3121","10.1107/S0108270196011079","","","0.71069","MoKα","","0.1793","0.0474","","0.1629","0.1035","","","","1","1.081","1.081","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2005789","8.526","0.001","13.857","0.001","18.519","0.001","90","","90","","90","","2187.9","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac. Cyclododeca-2.8-diyne-1.10-diole","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","KH1110","Boss, C.; Stoeckli-Evans, H.; Keese, R.","The First Crystal Structure Analysis of Cyclododeca-2,8-diyne-1,10-diols","Acta Crystallographica Section C","1996","52","12","3069","3073","10.1107/S0108270196009080","","","0.71073","MoKα","","0.1054","0.0444","","0.0929","0.0783","","","","0.882","1.044","1.044","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005795","21.86","0.02","12.48","0.02","11.047","0.008","90","","90","","90","","3014","6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-methyl-4-methylamino-3,5-diphenyl-1,2,4,3,5-triazadiborole","","- C14 H18 B2 N4 -","- C14 H18 B2 N4 -","- C112 H144 B16 N32 -","8","1","MU1263","Engelhardt, U.; Park, S. S.","An Inorganic <i>N</i>-Amino Analogue of Pyrrole: a Five-Membered Ring with Methylhydrazine and Two B Atoms as Building Blocks","Acta Crystallographica Section C","1996","52","12","3248","3250","10.1107/S0108270196010232","","","0.71069","MoKα","","0.035","0.08","","0.197","0.03","","","","1.38","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005799","7.4614","0.0004","16.5571","0.0013","20.6129","0.0014","90","","90","","90","","2546.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-cyanophenol","o-Cyanophenol","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","MU1277","Beswick, C.; Kubicki, M.; Codding, P. W.","<i>o</i>-Cyanophenol","Acta Crystallographica Section C","1996","52","12","3171","3173","10.1107/S0108270196009419","","","1.54178","CuKα","","0.053","0.0401","","0.1033","0.0965","","","","1.059","1.154","1.154","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005810","23.953","0.003","22.097","0.003","11.477","0.004","90","","90","","90","","6075","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl- dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone","","- C26 H52 O3 Si2 -","- C26 H52 O3 Si2 -","- C208 H416 O24 Si16 -","8","1","NA1256","Kocienski, P. J.; Pelotier, B.; Webster, M.","(3<i>R</i>*,4<i>S</i>*)-4-[(<i>S</i>*)-2-Cyclohexyl-2-(<i>tert</i>-butyldimethylsiloxy)ethyl]-3-hexyl-3-(trimethylsilyl)oxetan-2-one","Acta Crystallographica Section C","1996","52","12","3150","3152","10.1107/S0108270196009158","","","0.71069","MoKα","","","0.0591","","","0.051","","","","","2.301","2.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005869","13.366","0.001","7.3869","0.0007","29.892","0.003","90","","90","","90","","2951.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-bromophenyl)-2-fluoroethanone (2,4-dinitrophenyl)hydrazone","","- C14 H10 Br F N4 O4 -","- C14 H10 Br F N4 O4 -","- C112 H80 Br8 F8 N32 O32 -","8","1","HA1178","Borwick, S. J.; Howard, J. A. K.; Lehmann, C. W.; O'Hagan, D.","1-(4-Bromophenyl)-2-fluoroethanone (2,4-Dinitrophenyl)hydrazone Containing a Particularly Short Fluorine‒Hydrogen Bond","Acta Crystallographica Section C","1997","53","1","124","126","10.1107/S0108270196013133","","","0.71073","MoKα","","0.0496","0.0373","","0.0857","0.0771","","","","1.211","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005906","12.356","0.0011","13.624","0.0012","14.705","0.0015","90","","90","","90","","2475.4","0.4","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Mo O4 -","- C12 H14 Mo O4 -","- C96 H112 Mo8 O32 -","8","1","AB1394","Ülkü, D.; Tahir, M. N.; Özkar, S.","Tetracarbonyl(η^2:2^-1,5-cyclooctadiene)molybdenum(0)","Acta Crystallographica Section C","1997","53","2","185","187","10.1107/S0108270196012723","","","0.71073","MoKα","","","0.029","","","0.034","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005952","16.7","0.001","17.781","0.001","19.708","0.001","90","","90","","90","","5852.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetramethylammonium bis(trifluoroacetato)triphenylstannate","","- C26 H27 F6 N O4 Sn -","- C26 H27 F6 N O4 Sn -","- C208 H216 F48 N8 O32 Sn8 -","8","1","SK1049","Ng, S. W.; Kumar Das, V. G.","The First Example of a Discrete Di(carboxylato)triorganostannate: Tetramethylammonium Triphenylbis(trifluoroacetato)stannate","Acta Crystallographica Section C","1997","53","2","212","213","10.1107/S0108270196012292","","","0.71073","MoKα","","0.0853","0.0509","","0.131","0.1168","","","","0.99","1.139","1.139","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005985","13.735","0.003","16.082","0.006","14.255","0.004","90","","90","","90","","3148.7","1.6","296","","","","","","","","","","","7","P b c a","-P 2ac 2ab","","","","","- C8 H17 Cl Cu N6 O4 S -","- C7 H17 Cl Cu N7 O8 S -","- C56 H136 Cl8 Cu8 N56 O64 S8 -","8","1","CF1139","Hu, H.-M.; Sun, H.-S.; Chen, X.-H.; Zhao, Q.; Pan, Y.; Huang, X.-Y.; You, X.-Z.","(Diethylenetriamine)(imidazole)(thiocyanato)copper(II) Perchlorate","Acta Crystallographica Section C","1997","53","3","276","278","10.1107/S0108270196013893","","","0.71073","MoKα","","","0.041","","","0.056","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006005","10.005","0.003","17.535","0.003","16.509","0.002","90","","90","","90","","2896.3","1.1","293","","293","","","","","","","","","3","P b c a","","","","2,2-dimethyl-2,3-dihydro-1H-2-silacyclopent[l]phenanthrene","","- C18 H18 Si -","- C18 H18 Si -","- C144 H144 Si8 -","8","1","MU1274","Wagner, T.; Marx, H.-W.; Moss, S.","2,2-Dimethyl-2,3-dihydro-1<i>H</i>-2-silacyclopenta[<i>l</i>]phenanthrene","Acta Crystallographica Section C","1997","53","3","344","345","10.1107/S0108270196013315","","","1.54184","CuKα","","","0.04","","","0.059","","","","","2.203","2.203","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006024","23.986","0.003","14.076","0.002","10.493","0.002","90","","90","","90","","3542.7","1","295","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","1","AB1419","Tahir, M. N.; Ülkü, D.; Demir, A. S.; Mohammadi, M.; Özgül, E.","13-Phenyl-11,13,15-triazatricyclo[8.5.2.0^11,15^]heptadec-16-ene-12,14-dione","Acta Crystallographica Section C","1997","53","4","496","498","10.1107/S0108270196015284","","","0.71069","MoKα","","","0.052","","","0.056","","","","","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006028","11.799","0.002","25.195","0.004","9.009","0.002","90","0.01","90","0.02","90","0.01","2678.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N,N'-bispentafluorophenylurea","N,N'-bispentafluorophenylurea","","- C13 H2 F10 N2 O -","- C13 H2 F10 N2 O -","- C104 H16 F80 N16 O8 -","8","1","BK1165","Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.","<i>N</i>,<i>N</i>'-Bis(pentafluorophenyl)urea","Acta Crystallographica Section C","1997","53","4","455","457","10.1107/S010827019601428X","","","0.71069","MoKα","","0.087","0.049","","0.107","0.0951","","","","1.021","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006038","14.119","0.005","11.617","0.004","41.81","0.03","90","","90","","90","","6858","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C288 H224 Cl64 -","16","2","BM1102","Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.","<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl","Acta Crystallographica Section C","1997","53","4","499","504","10.1107/S0108270196015090","","","0.71073","MoKα","","0.0849","0.0464","","0.0421","0.0361","","","","1.06","1.65","1.65","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006060","19.67","0.006","15.904","0.003","9.485","0.006","90","","90","","90","","2967","2","295","1","295","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N3 -","- C17 H19 N3 -","- C136 H152 N24 -","8","1","FG1252","Parvez, M.","Antazoline","Acta Crystallographica Section C","1997","53","4","506","508","10.1107/S0108270196015934","","","0.71069","MoKα","","0.198","0.0493","","0.2972","0.1289","","","","1.012","1.136","1.136","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006118","10.839","0.002","13.519","0.003","18.939","0.004","90","","90","","90","","2775.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Styrylsilatrane","E-1-(2-phenylethenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane","","- C14 H19 N O3 Si -","- C14 H19 N O3 Si -","- C112 H152 N8 O24 Si8 -","8","1","FR1023","Stradiotto, Mark; Crowe, Grant; Ruffolo, Ralph; Brook, Michael A.","1-Styrylsilatrane","Acta Crystallographica Section C","1997","53","5","637","639","10.1107/S0108270197000310","","","0.56086","AgKα","","0.2333","0.0554","","0.1305","0.0879","","","","0.761","1.089","1.089","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006120","16.353","0.009","30.264","0.009","8.461","0.008","90","","90","","90","","4187","5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(7,9-Diphenylcyclopenta[a]acenaphtadien-6b-yl)ethylbromide","","- C29 H21 Br -","- C29 H21 Br -","- C232 H168 Br8 -","8","1","HA1185","Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä","2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)ethylbromide","Acta Crystallographica Section C","1997","53","5","644","646","10.1107/S0108270197000632","","","0.71073","MoKα","","0.129","0.0712","","0.2757","0.1871","","","","1.119","1.188","1.188","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006130","10.5774","0.0004","7.0688","0.0003","25.62","0.001","90","","90","","90","","1915.6","0.13","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Sulfobenzoic acid hydrate","Hydronium hydrogen 2-sulfobenzoate","","- C7 H8 O6 S -","- C7 H8 O6 S -","- C56 H64 O48 S8 -","8","1","KH1131","Ng, Seik Weng","Hydronium 2-Carboxybenzenesulfonate","Acta Crystallographica Section C","1997","53","5","633","634","10.1107/S0108270196015326","","","0.71073","MoKα","","0.0488","0.0393","","0.1121","0.1057","","","","1.032","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006147","8.94","0.003","14.259","0.004","25.929","0.007","90","","90","","90","","3305.3","1.7","158","2","158","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-Dimethyl-1,8,11-triaza-5-azoniumcyclotridecane Perchlorate Water.","","- C11 H29 Cl N4 O5 -","- C11 H29 Cl N4 O5 -","- C88 H232 Cl8 N32 O40 -","8","1","SK1026","Gladkikh, Olga P.; Curtis, Neil F.; Turnbull, Mark M.","A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate","Acta Crystallographica Section C","1997","53","5","586","587","10.1107/S0108270196015193","","","0.71073","MoKα","","0.0777","0.0468","","0.1115","0.1039","","","","0.878","1.067","1.067","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006220","5.7618","0.0006","14.4939","0.0018","14.5031","0.0018","90","","90","","90","","1211.2","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Thieno[2,3-c]pyridine","","- C7 H5 N S -","- C7 H5 N S -","- C56 H40 N8 S8 -","8","1","FG1264","Nerenz, Heiko; Grahn, Walter; Jones, Peter G.","Thieno[2,3-<i>c</i>]pyridine, the First Structure of a Thienopyridine","Acta Crystallographica Section C","1997","53","6","787","789","10.1107/S0108270197002084","","","0.71073","MoKα","","0.0329","0.0263","","0.0776","0.0756","","","","1.06","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006264","8.754","0.002","15.055","0.003","26.742","0.005","90","","90","","90","","3524.4","1.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4- dihydroquinoline-3-carboxylic acid","","- C17 H14 B Cl F N O7 -","- C17 H14 B Cl F N O7 -","- C136 H112 B8 Cl8 F8 N8 O56 -","8","1","AB1445","Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin","Boron Complex of a Member of the Quinolone Family","Acta Crystallographica Section C","1997","53","7","942","943","10.1107/S0108270197003491","","","0.71073","MoKα","","0.1014","0.0534","","0.1395","0.1128","","","","1.076","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006266","9.2739","0.0013","16.682","0.002","14.69","0.002","90","","90","","90","","2272.6","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate","","- C7 H13 N5 O6 -","- C7 H13 N5 O6 -","- C56 H104 N40 O48 -","8","1","AB1473","Low, John N.; Ferguson, George; López, Rafael; Arranz, Paloma; Cobo, Justo; Melguizo, Manuel; Nogueras, Manuel; Sánchez, Adolfo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine‒Water (1/2)","Acta Crystallographica Section C","1997","53","7","890","892","10.1107/S0108270197003934","","","0.7107","MolybdenumKα","","0.121","0.0482","","0.1205","0.1043","","","","0.889","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006289","16.1059","0.0004","11.5721","0.0002","17.6135","0.0003","90","","90","","90","","3282.79","0.11","296","","","","","","","","","","","5","P b c a","","","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","CF1145","Jem-Mau Lo; Hsueh-Hua Yao; Fen-Ling Liao; Sue-Lein Wang; Tian-Huey Lu","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-diimino-2-methylpropane]copper(II)","Acta Crystallographica Section C","1997","53","7","848","850","10.1107/S010827019700262X","","","0.71073","MoKα","","","0.0343","","","0.0408","","","","","0.99","0.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006355","8.9952","0.0013","20.46","0.002","9.864","0.002","90","","90","","90","","1815.4","0.5","98","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Tetravinylsilane","Tetraethenylsilane","","- C8 H12 Si -","- C8 H12 Si -","- C64 H96 Si8 -","8","1","AV1004","Bartkowska, Beata; Krüger, Carl","Tetravinylsilane","Acta Crystallographica Section C","1997","53","8","1066","1068","10.1107/S010827019700437X","","","0.71069","MoKα","","0.0463","0.0399","","0.1268","0.1222","","","","1.027","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006375","15.117","0.001","14.4592","0.0006","15.8539","0.0009","90","","90","","90","","3465.3","0.3","297","","","","","","","","","","","4","P b c a","","","","1,8-Diiodo-10-hydroxy-10-(3-methyl-but-3-en-1-ynyl)-10H-anthracen-9-one","","- C19 H12 I2 O2 -","- C19 H12 I2 O2 -","- C152 H96 I16 O16 -","8","1","CF1169","Thalji, Reema K.; Garcia, Gabriel; Asfaw, Bruktawit; Rodriguez, Augusto; Fronczek, Frank R.","A Diiodo-Substituted 9-Anthracenone","Acta Crystallographica Section C","1997","53","8","1138","1139","10.1107/S0108270197004460","","","0.71073","MoKα","","","0.045","","","0.054","","","","","1.88","1.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006393","9.706","0.002","8.9898","0.0009","17.714","0.003","90","","90","","90","","1545.6","0.4","277","2","277","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl (E)-3-(imidazol-2-yl)propenoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","HA1192","Blake, Alexander J.; McNab, Hamish; Thornley, Craig","Four Methyl Azolyl-3-propenoates","Acta Crystallographica Section C","1997","53","8","1093","1097","10.1107/S0108270197004952","","","0.71073","MoKα","","0.1105","0.0438","","0.1366","0.0969","","","","1.108","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006409","10.3733","0.001","14.724","0.003","20.471","0.001","90","","90","","90","","3126.7","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","KH1140","Yao, Hsueh-Hua; Lo, Jem-Mau; Chen, Bor-Hann; Lu, Tian-Huey","[<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,4-diiminobutane]copper(II)","Acta Crystallographica Section C","1997","53","8","1012","1013","10.1107/S0108270197003636","","","0.7093","MolybdenumKα","","0.04","0.04","","0.032","0.032","","","","","2.19","2.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006424","12.015","0.003","9.8464","0.0015","14.912","0.002","90","","90","","90","","1764.2","0.6","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Thia-5,11-dioxatricyclo[6.2.1.0^3.8^]undec-9-en-4,4-dione","","- C8 H10 O4 S -","- C8 H10 O4 S -","- C64 H80 O32 S8 -","8","1","QA0008","Ferguson, George; Schwan, Adrian L.; Kalin, Mark L.; Snelgrove, Jennifer L.","5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8^]undec-9-ene 4,4-Dioxide","Acta Crystallographica Section C","1997","53","8","IUC9700009","","10.1107/S0108270197099472","","","0.7107","MolybdenumKα","","0.1175","0.052","","","0.1128","0.129","","","","","","0.958","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006466","18.033","0.009","14.019","0.009","8.973","0.005","90","","90","","90","","2268","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","α-(4‒Hydroxy phenyl)-N-Phenyl nitrone","N-(p-Hydroxy Benzylidene)phenylamine N-oxide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","DE1054","Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.","<i>N</i>-(<i>p</i>-Hydroxybenzylidene)phenylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1997","53","9","1343","1344","10.1107/S010827019700560X","","","0.7071","MoKα","","0.146","0.035","","0.115","0.079","","","","0.972","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006473","15.266","0.002","16.262","0.003","14.1071","0.0015","90","","90","","90","","3502.2","0.9","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","FG1285","Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James","Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate","Acta Crystallographica Section C","1997","53","9","1262","1263","10.1107/S0108270197005258","","","1.5418","CuKα","","0.0569","0.0406","","","","0.1178","","","","","","2.22","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006479","12.853","0.001","32.252","0.003","7.945","0.001","90","","90","","90","","3293.5","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H26 S -","- C18 H26 S -","- C144 H208 S8 -","8","1","FG1298","Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James","(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane","Acta Crystallographica Section C","1997","53","9","1255","1256","10.1107/S0108270197005283","","","1.5418","CuKα","","0.0641","0.0472","","","","0.1189","","","","","","2.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006545","11.388","0.002","10.171","0.002","11.767","0.005","90","0.03","90","0.03","90","0.01","1362.9","0.7","294","","294","","","","","","","","","4","P b c a","","","","","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C40 H64 N32 O16 -","8","1","AB1467","Piacenza, Guy; Beguet, Christelle; Wimmer, Eric; Gallo, Roger; Giorgi, Michel","2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione","Acta Crystallographica Section C","1997","53","10","1459","1462","10.1107/S0108270197006495","","","0.71073","MoKα","","0.049","0.039","","","0.052","","","","","1.835","1.835","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006595","7.8931","0.0002","11.9354","0.0003","18.0705","0.0004","90","","90","","90","","1702.37","0.07","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Nitro-phenyl]-[1,3]dioxolane","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C72 H72 N8 O32 -","8","1","KA1235","Bolte, Michael; Marx, Raimund; Scholtyssik, Maria","2-(3-Nitrophenyl)-1,3-dioxolane at 150K","Acta Crystallographica Section C","1997","53","10","1464","1466","10.1107/S0108270197007166","","","0.71073","MoKα","","0.0316","0.0286","","0.08","0.0785","","","","1.056","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006611","14.531","0.004","15.867","0.005","13.481","0.004","90","","90","","90","","3108.2","1.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 I N2 O -","- C14 H21 I N2 O -","- C112 H168 I8 N16 O8 -","8","1","OA1026","Mikata, Yuji","Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration","Acta Crystallographica Section C","1997","53","10","1486","1488","10.1107/S0108270197006926","","","0.7107","MoKα","","0.129","0.051","","0.096","0.071","","","","0.988","1","1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006669","5.1928","0.0005","20.405","0.002","29.517","0.003","90","","90","","90","","3127.6","0.5","183","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Dibenzoyl-1,4-benzoquinone","","- C20 H12 O4 -","- C20 H12 O4 -","- C160 H96 O32 -","8","1","FG1318","Kumar Biradha; Michael J. Zaworotko; Ashwini Nangia; Gautam R. Desiraju","2,6-Dibenzoyl-1,4-benzoquinone","Acta Crystallographica Section C","1997","53","11","1653","1655","10.1107/S0108270197007579","","","0.71073","MoKα","","0.1025","0.0517","","0.1448","","0.1448","","","1.04","1.023","1.023","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006689","11.2152","0.0005","9.3864","0.0005","26.2788","0.0009","90","","90","","90","","2766.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Ethylimidazole) (N-salicylideneglycinato)-Copper(II) Polymer","","- C14 H15 Cu N3 O3 -","- C14 H15 Cu N3 O3 -","- C112 H120 Cu8 N24 O24 -","8","1","JZ1215","Warda, Salam A.","The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)","Acta Crystallographica Section C","1997","53","11","1590","1593","10.1107/S0108270197008056","","","1.54178","CuKα","","0.0498","0.0368","","0.1067","0.0996","","","","1.031","1.063","1.063","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006692","34.05","0.005","11.3","0.003","8.347","0.002","90","","90","","90","","3211.6","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-chlorophenyl)-2-(N-acetylthiocarbamato)-ethanoic acid acetonitrile (1:1)","","- C13 H13 Cl N2 O4 S -","- C13 H13 Cl N2 O4 S -","- C104 H104 Cl8 N16 O32 S8 -","8","1","JZ1220","Leban, Ivan; Majcen Le Maréchal, Alenka; Robert, Albert","2-(4-Chlorophenyl)-2-(<i>N</i>-acetylcarbamoylthio)ethanoic Acid‒Acetonitrile (1/1)","Acta Crystallographica Section C","1997","53","11","1677","1679","10.1107/S0108270197008627","","","0.71073","MoKα","","0.0973","0.049","","0.122","0.0976","","","","1.038","1.124","1.124","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006696","8.352","0.001","10.664","0.001","12.65","0.001","90","","90","","90","","1126.68","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O S -","- C5 H5 N O S -","- C40 H40 N8 O8 S8 -","8","1","KA1236","Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa","Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione","Acta Crystallographica Section C","1997","53","11","1631","1634","10.1107/S0108270197008834","","","0.71093","MoKα","","0.0414","0.0294","","0.0744","0.0679","","","","1.083","1.115","1.115","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006707","14.922","0.002","15.157","0.002","23.606","0.003","90","","90","","90","","5339","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl- xanthylium Iodide Monohydrate","","- C28 H33 I N2 O4 -","- C28 H33 I N2 O4 -","- C224 H264 I8 N16 O32 -","8","1","MU1330","Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Cai-Ming Lu; Ren-Gen Xiong; Xiao-zeng You","<i>N</i>-[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]ethylammonium Iodide Monohydrate","Acta Crystallographica Section C","1997","53","11","1619","1620","10.1107/S0108270197009360","","","0.71073","MoKα","","0.1016","0.0596","","0.2024","0.1788","","","","0.984","1.199","1.199","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006710","8.836","0.001","10.065","0.001","19.071","0.005","90","","90","","90","","1696.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetoylphenylhydrazone","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","1","MU1336","Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Hoong-Kun Fun","<i>N</i>-Acetoylphenylhydrazone","Acta Crystallographica Section C","1997","53","11","1621","1622","10.1107/S0108270197009402","","","0.71073","MoKα","","0.0624","0.0477","","0.1409","0.1308","","","","0.987","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006751","10.903","0.002","8.603","0.002","26.175","0.005","90","","90","","90","","2455.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","N^1^, N^2^-Diphenylacetamidine","","","- C14 H14 N2 -","- C14 H14 N2 -","- C112 H112 N16 -","8","1","AB1499","Phillips, Paul R.; Barker, James; Errington, William; Wallbridge, Malcolm G.H.","<i>N</i>^1^,<i>N</i>^2^-Diphenylacetamidine","Acta Crystallographica Section C","1997","53","12","1968","1971","10.1107/S0108270197011347","","","0.71073","MoKα","","0.1382","0.0453","","0.1079","0.0926","","","","0.672","1.117","1.117","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006825","18.012","0.002","18.039","0.002","7.579","0.001","90","","90","","90","","2462.6","0.5","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","1,4-dimethoxynaphthalene-2,5-dicarboxylic acid","","- C14 H12 O6 -","- C14 H12 O6 -","- C112 H96 O48 -","8","1","FR1083","Gerkin, Roger E.","5,8-Dimethoxynaphthalene-1,6-dicarboxylic Acid","Acta Crystallographica Section C","1997","53","12","1987","1989","10.1107/S0108270197011475","","","0.71073","MoKα","","","0.065","","","","0.059","","","","","","1.58","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006834","13.307","0.002","24.15","0.003","14.74","0.002","90","","90","","90","","4736.9","1.1","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexamethylenetetramine‒1,1,1-tris(4-hydroxyphenyl)ethane (1/1).","","- C26 H30 N4 O3 -","- C26 H30 N4 O3 -","- C208 H240 N32 O24 -","8","1","JZ1225","Coupar, Pamela I.; Ferguson, George; Glidewell, Christopher; Meehan, Paul R.","Pairwise-Interwoven <i>R</i>^6^~6~(48) Hexagonal Nets in the Hydrogen-Bonded Structure of Hexamethylenetetramine‒1,1,1-Tris(4-hydroxyphenyl)ethane (1/1)","Acta Crystallographica Section C","1997","53","12","1978","1980","10.1107/S010827019701086X","","","0.7107","MolybdenumKα","","0.1996","0.0601","","0.1292","0.1025","","","","0.819","1.227","1.227","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006874","6.814","0.001","9.497","0.002","16.374","0.002","90","","90","","90","","1059.6","0.3","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium bis(malonato)cuprate(II) dihydrate","","- C6 H8 Cu Na2 O10 -","- C6 H8 Cu Na2 O10 -","- C24 H32 Cu4 Na8 O40 -","4","0.5","QB0022","Barnes, John C.; Weakley, Timothy J.R.","Disodium Bis(malonato)cuprate(II) Dihydrate","Acta Crystallographica Section C","1997","53","12","IUC9700026","","10.1107/S0108270197099307","","","0.71073","MoKα","","0.0747","0.0476","","","","0.1425","","","","","","1.148","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006882","10.703","0.002","10.99","0.001","17.584","0.005","90","","90","","90","","2068.3","0.7","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,12-dione","","- C12 H16 O2 -","- C12 H16 O2 -","- C96 H128 O16 -","8","1","SX1038","Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt","<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione","Acta Crystallographica Section C","1997","53","12","1963","1966","10.1107/S0108270197011694","","","0.71073","MoKα","","","0.059","","","","0.1562","","","","","","0.725","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006905","15.9349","0.0006","8.0535","0.0003","18.6618","0.0009","90","","90","","90","","2394.9","0.17","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","","- C12 H14 O6 -","- C12 H14 O6 -","- C96 H112 O48 -","8","1","BM1189","Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William","3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone","Acta Crystallographica Section C","1998","54","1","123","125","10.1107/S0108270197012894","","","0.71073","MoKα","","0.0693","0.0421","","","","0.1045","","","","","","0.885","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006916","26.345","0.006","24.531","0.007","6.073","0.01","90","","90","","90","","3925","7","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C184 H168 N8 O16 S8 -","8","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","0.7107","MoKα","","","0.046","","","","0.122","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006934","11.356","0.002","13.243","0.002","20.002","0.003","90","","90","","90","","3008.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 3,7-Hypoxanthyldiacetate","","- C13 H16 N4 O5 -","- C13 H16 N4 O5 -","- C104 H128 N32 O40 -","8","1","JZ1236","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","Diethyl 3,7-Hypoxanthyldiacetate","Acta Crystallographica Section C","1998","54","1","114","116","10.1107/S0108270197011906","","","1.54178","CuKα","","0.049","0.042","","0.125","0.118","","","","1.057","1.085","1.085","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006937","13.5174","0.0014","13.919","0.0013","17.0708","0.0015","90","","90","","90","","3211.8","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3', 4'-dimethoxy-N-methyl-4-stilbazolium tetrafluoroborate","4-[2-(3,4-dimethoxyphenyl)ethenyl]-1-methylpyridinium tetrafluoroborate","","- C16 H18 B F4 N O2 -","- C16 H18 B F4 N O2 -","- C128 H144 B8 F32 N8 O16 -","8","1","KA1254","De-Chun Zhang; Tian-Zhu Zhang; Yan-Qiu Zhang; Li-Qin Ge; Kai-Bei Yu","4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate","Acta Crystallographica Section C","1998","54","1","138","140","10.1107/S0108270197012559","","","0.71073","MoKα","","0.071","0.038","","0.103","0.094","","","","0.891","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006988","12.89","0.006","11.187","0.004","29.565","0.013","90","","90","","90","","4263","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C144 H208 N48 O64 -","16","2","BM1120","Shishkin, O. V.; Atroschenko, Yu. M.; Gitis, S. S.; Alifanova, E. N.; Shakhkeldyan, I. V.","3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene","Acta Crystallographica Section C","1998","54","2","271","273","10.1107/S0108270197013279","","","0.71073","MoKα","","0.2209","0.0802","","0.3034","0.1457","","","","1.094","1.365","1.365","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006989","13.803","0.003","10.78","0.016","17.272","0.007","90","","90","","90","","2570","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O5 S -","- C13 H8 N2 O5 S -","- C104 H64 N16 O40 S8 -","8","1","BM1162","Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.","Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)","Acta Crystallographica Section C","1998","54","2","251","253","10.1107/S010827019701353X","","","0.71073","MoKα","","0.0766","0.0392","","","","0.1067","","","","","","1.023","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007033","8.945","0.003","8.664","0.002","47.029","0.009","90","","90","","90","","3644.7","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-3,3,6-tribromo-2-phenyl-4H-1-benzopyran- 4-one","","- C17 H13 Br3 O5 -","- C17 H13 Br3 O5 -","- C136 H104 Br24 O40 -","8","1","QA0028","Kan Chantrapromma; Vatcharee Seechamnanturakit; Chaveng Pakawatchai; Suchada Chantrapromma; Kandasamy Chinnakali; Hoong-Kun Fun","2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4<i>H</i>-1-benzopyran-4-one","Acta Crystallographica Section C","1998","54","2","IUC9800001","","10.1107/S0108270198099843","","","0.71073","MoKα","","0.2065","0.0826","","0.2357","0.1958","","","","0.833","1.235","1.235","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007074","8.597","0.001","15.42","0.002","22.449","0.003","90","","90","0.02","90","","2976","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O5 S -","- C14 H11 N3 O5 S -","- C112 H88 N24 O40 S8 -","8","1","DU1181","Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pepe, Gerard","2-Acétamido-2',4'-dinitrodiphénylsulfure","Acta Crystallographica Section C","1998","54","3","391","392","10.1107/S0108270197013462","","","0.71069","MoKα","","0.0476","0.0438","","0.0897","0.0893","","","","0.968","1.292","1.292","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007115","22.935","0.004","27.125","0.003","8.332","0.001","90","","90","","90","","5183.4","1.2","296","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ambroxol Theophylline-7-Acetate Salt Monohydrate","Cyclohexanol-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-trans -mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6,dioxo-7H-purine-7-acetate) (salt)","","- C22 H30 Br2 N6 O6 -","- C22 H30 Br2 N6 O6 -","- C176 H240 Br16 N48 O48 -","8","1","NA1242","Giuseppetti, Giuseppe; Mazzi, Fiorenzo; Tadini, Carla; Giordano, Ferdinando; Bettinetti, Giampiero; Sorrenti, Milena; Gazzaniga, Andrea","Ambroxol Theophylline-7-acetate Salt Monohydrate","Acta Crystallographica Section C","1998","54","3","407","410","10.1107/S0108270196009328","","","0.7107","MoKα","","0.174","0.086","","0.19","","0.143","","","1.187","","","1.317","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007136","7.424","0.004","14.303","0.003","26.51","0.002","90","","90","","90","","2815","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","AB1510","Elerman, Yalc̨in; Elmali, Ayhan","2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section C","1998","54","4","529","531","10.1107/S0108270197013991","","","0.71069","MoKα","","0.0371","0.0338","","0.0902","0.0876","","","","1.083","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007142","12.004","0.002","19.108","0.002","20.328","0.002","90","","90","","90","","4662.7","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ferrocenylbenzonitrile","3,6-Dimethoxy-2-[α-ferrocenyl-α-(2',5'-dimethoxy- phenyl)]methylbenzonitrile","","- C28 H27 Fe N O4 -","- C28 H27 Fe N O4 -","- C224 H216 Fe8 N8 O32 -","8","1","BK1350","Zhang, Hongming; Lu, Yingchun; Biehl, Ed","2-[(2,5-Dimethoxyphenyl)(ferrocenyl)methyl]-3,6-dimethoxybenzonitrile","Acta Crystallographica Section C","1998","54","4","462","464","10.1107/S010827019701442X","","","0.71073","MoKα","","0.081","0.043","","0.102","0.086","","","","1.02","1.086","1.086","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007168","23.106","0.013","16.445","0.012","7.985","0.007","90","","90","","90","","3034","4","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N S -","- C18 H17 N S -","- C144 H136 N8 S8 -","8","1","FG1388","Fu, Tai Y.; Scheffer, John R.; Trotter, James","3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione","Acta Crystallographica Section C","1998","54","4","496","497","10.1107/S0108270197015904","","","0.7107","MoKα","","","0.063","","","","0.206","","","","","","1.225","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007203","11.188","0.004","13.672","0.009","27.352","0.002","90","","90","","90","","4184","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C224 H160 N16 O8 -","8","1","AB1463","Banumathi, Sankaran; Velmurugan, Devadasan; Raghunathan, Raghavachary; Shanmuga sundaram, Muthian","1',3'-Diphenylspiro[anthracene-9(10i H),5'(4'<i>H</i>)-pyrazol]-10-one","Acta Crystallographica Section C","1998","54","5","629","630","10.1107/S0108270197017411","","","1.5418","CuKα","","0.0714","0.059","","0.1735","0.1634","","","","1.103","1.183","1.183","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007249","17.786","0.002","14.504","0.001","7.437","0.003","90","","90","","90","","1918.5","0.8","295","0.1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis{μ-chloro-[chloro-2-ammoniobenzenethiolato]mercury(II)}","","- C12 H14 Cl4 Hg2 N2 S2 -","- C12 H14 Cl4 Hg2 N2 S2 -","- C48 H56 Cl16 Hg8 N8 S8 -","4","0.5","MU1360","Davidović, Naka; Matković-Čalogović, Dubravka; Popović, Zora; Vedrina-Dragojević, Irena","Di-μ-chloro-bis[(2-ammoniobenzenethiolato-<i>S</i>)chloromercury(II)]","Acta Crystallographica Section C","1998","54","5","574","576","10.1107/S0108270197016788","","","0.71073","MoKα","","0.0778","0.0368","","","","0.0772","","","","","","1.038","","","","has coordinates","207948","2020-10-21","18:00:00",""
"2007250","7.8069","0.0012","15.768","0.004","16.398","0.003","90","","90","","90","","2018.6","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[3-(2-pyridyl)-1H-pyrazole]dichloropalladium(II)","","- C8 H7 Cl2 N3 Pd -","- C8 H7 Cl2 N3 Pd -","- C64 H56 Cl16 N24 Pd8 -","8","1","MU1365","Ward, Michael D.; Fleming, James S.; Psillakis, Elefteria; Jeffery, John C.; McCleverty, Jon A.","[Pd(H<i>L</i>)Cl~2~] and [Pd<i>L</i>~2~], where H<i>L</i> is 2-(3-Pyrazolyl)pyridine","Acta Crystallographica Section C","1998","54","5","609","612","10.1107/S0108270197016399","","","0.71073","MoKα","","0.0284","0.0236","","0.0632","0.0619","","","","1.108","1.169","1.169","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007351","8.514","0.006","19.39","0.012","21.94","0.012","90","","90","","90","","3622","4","301","2","301","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-methyl-r-2,c-3,c-5-triphenylpyrrolidine","","- C23 H23 N -","- C23 H23 N -","- C184 H184 N8 -","8","1","LN1033","Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran","Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine","Acta Crystallographica Section C","1998","54","6","867","870","10.1107/S0108270197018155","","","0.71073","MoKα","","0.1405","0.0458","","0.1325","0.1061","","","","1.026","1.301","1.301","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007368","10.098","0.002","18.902","0.004","16.71","0.003","90","","90","","90","","3189.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2,5-diméthylpyrrolidin-2-yl] phosphonate de diisopropyle","","- C12 H26 N O3 P -","- C12 H26 N O3 P -","- C96 H208 N8 O24 P8 -","8","1","PA1253","Roubaud, Valerie; Siri, Didier; Tordo, Paul; Hdii, Fathia; Reboul, Jean-Pierre","(2,5-Diméthylpyrrolidin-2-yl)phosphonate de Diisopropyle","Acta Crystallographica Section C","1998","54","6","825","827","10.1107/S0108270197008408","","","0.7107","MoKα","","0.05","0.045","","0.09","0.089","","","","1.082","1.426","1.426","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007395","16.964","0.003","18.972","0.004","21.063","0.003","90","","90","","90","","6779","2","298","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","O,O'-trifluoroacetatobis(triphenylphosphine)silver(I)","","- C38 H30 Ag F3 O2 P2 -","- C38 H30 Ag F3 O2 P2 -","- C304 H240 Ag8 F24 O16 P16 -","8","1","TA1203","Ng, Seik Weng","(Trifluoroacetato-<i>O</i>,<i>O</i>')bis(triphenylphosphine-<i>P</i>)silver(I)","Acta Crystallographica Section C","1998","54","6","743","744","10.1107/S0108270198000304","","","0.71073","MoKα","","0.0796","0.066","","0.133","0.1275","","","","1.334","1.38","1.38","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007396","18.4645","0.0009","8.0647","0.0006","21.9392","0.0009","90","","90","","90","","3267","0.3","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Bis(2-pyridyl)-4-p-bromophenyl-1,2,4-triazole","","- C18 H12 Br N5 -","- C18 H12 Br N5 -","- C144 H96 Br8 N40 -","8","1","TA1205","Chen, Wei; Wang, Z. X.; Jian, F. F.; Bai, Z. P.; You, X. Z.","4-(<i>p</i>-Bromophenyl)-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","1998","54","6","851","852","10.1107/S0108270198000316","","","0.71073","MoKα","","0.127","0.059","","0.121","0.103","","","","0.925","1.134","1.134","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007404","16.065","0.003","16.534","0.002","8.632","0.002","90","","90","","90","","2292.8","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-dihydrophenanthrene-4-carboxylic acid","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","BK1359","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Phenanthrene-4-carboxylic Acid and 1,2-Dihydrophenanthrene-4-carboxylic Acid","Acta Crystallographica Section C","1998","54","7","966","969","10.1107/S0108270198000122","","","0.71073","MoKα","","","0.043","","0.104","","0.104","","","1.25","","","1.25","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007420","5.0283","0.0003","8.0427","0.0005","16.03","0.001","90","","90","","90","","648.27","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Lithium Ethylene Glyconate","mono lithium ethylene glyconate","","- C2 H5 Li O2 -","- C2 H5 Li O2 -","- C16 H40 Li8 O16 -","8","1","DA1011","Mamak, Marc; Zavalij, Peter Y.; Whittingham, M. Stanley","Layered Structure of Lithium Ethylene Glycolate, Li(OCH~2~CH~2~OH)","Acta Crystallographica Section C","1998","54","7","937","939","10.1107/S0108270198002121","","","0.71069","MoKα","","","0.036","","","0.055","","","","","1.63","1.63","","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2007435","17.964","0.002","8.716","0.001","8.172","0.001","90","","90","","90","","1279.5","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-3-aminoisobutyric acid monohydrate","","","- C4 H11 N O3 -","- C4 H11 N O3 -","- C32 H88 N8 O24 -","8","1","FR1106","Dobson, Allison J.; Gerkin, Roger E.","<small>DL</small>-3-Aminoisobutyric Acid Monohydrate","Acta Crystallographica Section C","1998","54","7","972","974","10.1107/S0108270198001310","","","0.71073","MoKα","","","0.04","","","","0.056","","","","","","1.87","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007531","9.313","0.001","19.202","0.003","22.33","0.003","90","","90","","90","","3993.2","0.9","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 Ni O2 -","- C23 H24 N2 Ni O2 -","- C184 H192 N16 Ni8 O16 -","8","1","JZ1238","Paulus, Helmut; Svoboda, Ingrid; Fuess, Hartmut","Rerefinement of {1-[(2-Hydroxybenzylidene)aminomethyl]naphthalen-2-olato(2 ‒)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)","Acta Crystallographica Section C","1998","54","8","1075","1076","10.1107/S0108270198005228","","","0.71069","MoKα","","0.133","0.037","","0.113","0.084","","","","1.007","1.082","1.082","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2007583","5.5431","0.0005","8.909","0.0006","45.893","0.004","90","","90","","90","","2266.4","0.3","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyacetophenone anil","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","BM1237","Leardini, Rino; McDougald, Graham; McNab, Hamish; Nanni, Daniele; Parsons, Simon","Methyl-and Phenyl-Substituted Salicylideneanilines","Acta Crystallographica Section C","1998","54","9","1360","1362","10.1107/S0108270198004302","","","1.5418","CuKα","","","0.0603","","","0.0735","","","","","1.0892","1.0892","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007588","16.923","0.002","14.783","0.002","17.6634","0.0013","90","","90","","90","","4418.9","0.9","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra-n-butylammonium trinitromethane","tetra-n-butylammonium trinitromethanide","","- C17 H36 N4 O6 -","- C17 H36 N4 O6 -","- C136 H288 N32 O48 -","8","1","BR1207","Bryan, Jeffrey C.; Burnett, Michael N.; Gakh, Andrei A.","Tetrabutylammonium and Caesium Salts of Trinitromethane","Acta Crystallographica Section C","1998","54","9","1229","1233","10.1107/S0108270198004491","","","0.71073","MoKα","","0.043","0.043","","0.127","","0.127","","","1.03","1.13","1.13","","","","","has coordinates,has disorder","200221","2020-10-21","18:00:00",""
"2007627","8.2983","0.0001","14.6086","0.0002","29.1258","0.0004","90","","90","","90","","3530.82","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-bromo-4-methylphenyl)-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarine- 8,9-aziridine","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C168 H144 Br8 N8 O16 -","8","1","HA1215","Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak","An <i>N</i>-Substituted 6,7-Benzocoumarin-8,9-aziridine Derivative","Acta Crystallographica Section C","1998","54","9","1299","1301","10.1107/S0108270198003874","","","0.71073","MoKα","","0.0863","0.0479","","0.1088","0.0927","","","","1.065","1.144","1.144","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007714","11.4712","0.0008","12.3457","0.0008","20.582","0.002","90","","90","","90","","2914.8","0.4","294","1","294","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2R/2S)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","CF1250","Brady, Fiona; Gallagher, John F.; Kenny, Peter T. M.","O—H···O, C—H···O and C—H···π~arene~ Intermolecular Interactions in (2<i>R</i>/2<i>S</i>)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropanoic Acid","Acta Crystallographica Section C","1998","54","10","1523","1525","10.1107/S0108270198005678","","","0.7107","MoKα","","0.085","0.041","","","","0.098","","","","","","1.013","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007727","19.862","0.001","21.301","0.001","9.758","0.001","90","","90","","90","","4128.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C144 H176 N48 O48 -","16","2","HA1213","Chitra Samanta; Alok Kumar Mukherjee; Monika Mukherjee","3-(<i>o</i>-Carboxyphenyl)-1-ethyltriazene 1-Oxide","Acta Crystallographica Section C","1998","54","10","1544","1546","10.1107/S0108270198003862","","","1.54178","CuKα","","0.0811","0.0489","","0.1342","0.1211","","","","0.948","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007743","15.1362","0.0008","15.8851","0.0007","11.861","0.001","90","","90","","90","","2851.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride","6,7-dihydroxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinolinium chloride","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","NA1324","Olszak, Tomasz A.","X-ray Structure Investigations of Potential β-Blockers. III","Acta Crystallographica Section C","1998","54","10","1456","1459","10.1107/S0108270198005459","","","1.54178","CuKα","","0.051","0.032","","","","0.084","","","","","","0.914","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007762","8.582","0.005","9.609","0.005","31.213","0.005","90","0.005","90","0.005","90","0.005","2574","2","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-phenyl-cis-4,6-dimethyl-1,3-diselenane","","- C12 H16 Se2 -","- C12 H16 Se2 -","- C96 H128 Se16 -","8","1","SK1184","Baudoux, Guy; Norberg, Bernadette; Wouters, Johan; Defrère, Laurent; Krief, Alain; Evrard, Guy","<i>cis</i>-4,6-Dimethyl-2-phenyl-1,3-diselenane","Acta Crystallographica Section C","1998","54","10","1505","1507","10.1107/S0108270198004235","","","1.54178","CuKα","","0.0415","0.0371","","","","0.1025","","","","","","1.077","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007790","8.983","0.002","21.125","0.004","13.196","0.003","90","","90","","90","","2504.2","0.9","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","BS1040","Duque Rodríguez, Julio; Pomés Hernández, Ramón; Gómez González, Ariel; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Mascarenhas, Yvonne","5-Methoxycarbonyl-6-methyl-4-phenyl-3,4-dihydro-2(1<i>H</i>)-pyridone","Acta Crystallographica Section C","1998","54","11","1644","1645","10.1107/S010827019701799X","","","0.71069","MoKα","","0.168","0.0499","","0.1662","0.0996","","","","1.082","1.165","1.165","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007809","9.182","0.002","10.917","0.002","21.955","0.004","90","","90","","90","","2200.8","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","(+/-)-cis-10-Carboxymethyl-2-decalone","(+/-)-cis-4a-carboxymethyloctahydro-2(1H)-napthalenone","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","FG1471","Zewge, Daniel; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","(±)-<i>cis</i>-10-Carboxymethyl-2-decalone: Catemeric Hydrogen Bonding in an ε-Keto Acid","Acta Crystallographica Section C","1998","54","11","1651","1653","10.1107/S0108270198007495","","","0.71073","MoKα","","0.12","0.054","","0.135","0.108","","","","1.001","1.17","1.17","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007886","8.413","0.001","20.534","0.002","11.36","0.001","90","","90","","90","","1962.5","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","phenylethylthioamidinium chloride","","- C8 H11 Cl N2 S -","- C8 H11 Cl N2 S -","- C64 H88 Cl8 N16 S8 -","8","1","BM1211","Barker, James; Powell, Harold R.","<i>S</i>-Benzylisothiouronium Chloride","Acta Crystallographica Section C","1998","54","12","2019","2021","10.1107/S0108270198008166","","","1.5418","CuKα","","","0.0419","","","0.0502","","","","","1.0859","1.0859","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007889","15.177","0.003","22.357","0.004","17.653","0.004","90","","90","","90","","5990","2","178","2","178","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","di(2,4,6-triisopropylphenyl)diselenide","","- C30 H46 Se2 -","- C30 H46 Se2 -","- C240 H368 Se16 -","8","1","BM1242","Jeske, Jörg; Salzen, Andreas Martens-von; du Mont, Wolf-Walther; Jones, Peter G.","Two Organic Diselenides: Dimesityl Diselenide and Bis(2,4,6-triisopropylphenyl) Diselenide","Acta Crystallographica Section C","1998","54","12","1873","1875","10.1107/S0108270198010579","","","0.71073","MoKα","","0.0844","0.0341","","0.1033","0.0817","","","","0.952","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007916","12.0267","0.0002","11.3835","0.0002","14.5357","0.0002","90","","90","","90","","1990.02","0.06","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene","","- C22 H22 O6 S2 -","- C22 H22 O6 S2 -","- C88 H88 O24 S8 -","4","0.5","FG1445","Abboud, Khalil A.; Irvin, David J.; Reynolds, John R.","2,5-Diethoxy-1,4-bis(3,4-ethylenedioxy-2-thienyl)benzene and its Tetrahydrofuran 0.33-Solvate","Acta Crystallographica Section C","1998","54","12","1994","1997","10.1107/S0108270198009536","","","0.71073","MoKα","","0.041","0.035","","","","0.099","","","","","","1.074","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007918","9.481","0.0009","19.836","0.0019","13.178","0.0014","90","","90","","90","","2478.3","0.4","296","","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2-bis(2-pyridylformimidoyl)hydrazine","","- C12 H12 N6 -","- C12 H12 N6 -","- C96 H96 N48 -","8","1","FG1463","Armstrong, Jennifer A.; Barnes, John C.; Weakley, Timothy J.R.","1,2-Bis(2-pyridylformimidoyl)hydrazine","Acta Crystallographica Section C","1998","54","12","1923","1925","10.1107/S0108270198008014","","","0.71073","MoKα","","0.068","0.036","","","","0.135","","","","","","0.951","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007925","13.4327","0.0002","13.1953","0.0006","16.7801","0.0006","90","","90","","90","","2974.25","0.18","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 Co N4 O4 -","- C10 H19 Co N4 O4 -","- C80 H152 Co8 N32 O32 -","8","1","FG1480","Mareque Rivas, Juan C.; Brammer, Lee","N—H···N, N-H···O and N-H···π~CO~ Hydrogen Bonding in [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-)","Acta Crystallographica Section C","1998","54","12","1799","1802","10.1107/S0108270198008956","","","0.71073","MoKα","","0.072","0.042","","0.055","0.05","","","","1.44","1.576","1.576","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007995","8.935","0.002","15.733","0.007","18.372","0.004","90","","90","","90","","2582.6","1.4","223","1","223","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 N2 O10 Pb -","- C6 H14 N2 O10 Pb -","- C48 H112 N16 O80 Pb8 -","8","1","OS1021","Lashgari, Koroush; Kritikos, Mikael; Lashgari, Kianosh; Westin, Gunnar","Pb(NO~3~)~2~(EO3), where EO3 is Triethylene Glycol","Acta Crystallographica Section C","1998","54","12","1794","1797","10.1107/S0108270198008312","","","0.71073","MoKα","","0.075","0.046","","0.111","0.099","","","","1.076","1.132","1.132","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008020","7.792","0.001","10.39","0.001","18.894","0.002","90","","90","","90","","1529.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H4 Ba O4 -","- C8 H4 Ba O4 -","- C64 H32 Ba8 O32 -","8","1","SK1168","Lo, Samuel Man Fung; Chui, Stephen Sin Yin; Williams, Ian D.","Barium Terephthalate, a Three-Dimensional Coordination Polymer with 7:7 Cation‒Anion Connectivity","Acta Crystallographica Section C","1998","54","12","1846","1848","10.1107/S0108270198009512","","","0.71073","MoKα","","0.0388","0.0248","","0.0594","0.0487","","","","1.053","1.088","1.088","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008093","7.532","0.005","13.278","0.002","23.7103","0.001","90","","90","","90","","2371.3","1.6","122","0.5","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-nitrophenyl)-4-phenylbutadiyne","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C128 H72 N8 O16 -","8","1","LN1068","Hanne Skov Bengaard; Sine Larsen; Henning Osholm Sørensen; Kathryn J. Robinson; John D. Wallis","Interaction between an oxygen and an alkynyl-carbon atom in 1-(2-nitrophenyl)-4-phenylbutadiyne","Acta Crystallographica Section C","1999","55","1","106","108","10.1107/S0108270198010853","","","1.5418","CuKα","","0.0385","0.0364","","0.0888","0.0885","","","","3.456","3.572","3.572","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008116","9.202","0.001","18.87","0.003","19.138","0.002","90","","90","","90","","3323.2","0.7","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C144 H152 N8 O16 S16 -","8","1","SK1227","Hökelek, Tuncer; Patır, Süleyman; Uludağ, Nesi̇mi̇","9-Acetonyl-3-ethylidene-1,2,3,4-tetrahydrospiro[carbazole-1,2'-[1,3]dithiolan]-4-one","Acta Crystallographica Section C","1999","55","1","114","116","10.1107/S0108270198011019","","","0.71073","MoKα","","","0.038","","","0.048","","","","","1.22","1.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008131","10.857","0.003","11.2892","0.0009","18.5162","0.0009","90","","90","","90","","2269.5","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-benzyl-2-hydroxycyclohexanone","","- C13 H16 O2 -","- C13 H16 O2 -","- C104 H128 O16 -","8","1","BM1297","McCullough, Kevin J.; Perner, Iris; Rosair, Georgina M.","2-Benzyl-2-hydroxycyclohexanone","Acta Crystallographica Section C","1999","55","2","268","270","10.1107/S0108270198013869","","","0.71073","MoKα","","0.0882","0.0493","","","","0.135","","","","","","1.015","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008197","15.9034","0.0008","10.5054","0.0005","16.1559","0.0008","90","","90","","90","","2699.2","0.2","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-dimethylamino)ethylaminomethyl]-6-methoxyphenol","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C96 H160 N16 O16 -","8","1","SK1230","Lian Ee Khoo; Hong Juan Hu; Alan Hazell","4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol","Acta Crystallographica Section C","1999","55","2","245","248","10.1107/S0108270198012050","","","0.71073","MoKα","","","0.048","","","0.056","","","","","","","1.569","","","","has coordinates,has Fobs","190596","2020-10-21","18:00:00",""
"2008198","14.283","0.002","17.083","0.004","7.723","0.003","90","","90","","90","","1884.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-indolyl)acrylamide","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","1","SX1071","Leopoldo Suescun; Raúl A. Mariezcurrena; Alvaro W. Mombrú; Danilo Davyt; Eduardo Manta","3-(3-Indolyl)acrylamide","Acta Crystallographica Section C","1999","55","2","211","213","10.1107/S0108270198012505","","","0.71069","MoKα","","0.159","0.041","","","","0.132","","","","","","0.98","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008209","25.732","0.003","7.8359","0.0004","13.954","0.001","90","","90","","90","","2813.6","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Trymethylpyridinium ortho-nitro-benzoate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C120 H128 N16 O32 -","8","1","BM1262","Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.","Three 2,4,6-trimethylpyridine‒benzoic acid complexes at 150K","Acta Crystallographica Section C","1999","55","3","377","381","10.1107/S0108270198013766","","","1.5418","CuKα","","0.068","0.059","","0.077","0.07","","","","0.944","0.947","0.947","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2008267","12.225","0.002","13.29","0.003","12.387","0.003","90","","90","","90","","2012.5","0.7","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trimethylphosphonium trichlorogermanate(II)","Trimethylphosphonium trichlorogermanate(II)","","- C3 H10 Cl3 Ge P -","- C3 H10 Cl3 Ge P -","- C24 H80 Cl24 Ge8 P8 -","8","1","JZ1290","Gabriele Kociok-Köhn; Johannes G. Winter; Alexander C. Filippou","Trimethylphosphonium trichlorogermanate(II)","Acta Crystallographica Section C","1999","55","3","351","353","10.1107/S010827019801169X","","","0.71073","MoKα","","0.0365","0.0307","","","","0.0845","","","","","","1.044","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008287","7.5623","0.0002","19.8757","0.0006","21.2828","0.0006","90","","90","","90","","3198.93","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethyl-1-(2-chlorophenyl)-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione- 5-carboxylate","","- C15 H17 Cl N2 O2 S -","- C15 H17 Cl N2 O2 S -","- C120 H136 Cl8 N16 O16 S8 -","8","1","QA0090","Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan","Ethyl 1-(2-chlorophenyl)-4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section C","1999","55","3","IUC9900017","","10.1107/S0108270199099734","","","0.71073","MoKα","","0.071","0.06","","","","0.15","","","","","","1.211","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008297","20.771","0.001","9.1734","0.0006","22.756","0.002","90","","90","","90","","4335.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbomylthioacetate)","","- C19 H34 N2 O3 S2 -","- C19 H34 N2 O3 S2 -","- C152 H272 N16 O24 S16 -","8","1","SK1237","Ng, Seik Weng; Hook, James M.","Bis[(<i>N</i>,<i>N</i>-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)","Acta Crystallographica Section C","1999","55","3","312","316","10.1107/S0108270198013092","","","0.71073","MoKα","","0.107","0.052","","","","0.131","","","","","","1.012","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2008312","10.009","0.0013","15.472","0.002","16.216","0.002","90","","90","","90","","2511.2","0.6","160","3","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Diethylaminomethyl)phenol Nitrate","diethyl(2-hydroxybenzyl)ammonium nitrate","","- C11 H18 N2 O4 -","- C11 H18 N2 O4 -","- C88 H144 N16 O32 -","8","1","BK1426","Bouayad, Abdelouahed; Dartiguenave, Michèle; Lamandé, Lydia; El Ghadraoui, El Houssine; Beauchamp, André L.","Nitrate salt of protonated 2-(diethylaminomethyl)phenol","Acta Crystallographica Section C","1999","55","4","681","683","10.1107/S0108270198014218","","","0.71073","MoKα","","0.06","0.039","","0.087","","0.082","","","1.042","","","1.209","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008325","18.5888","0.0012","8.1378","0.001","28.964","0.002","90","","90","","90","","4381.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 N2 O11 S2 -","- C14 H34 N2 O11 S2 -","- C112 H272 N16 O88 S16 -","8","1","BM1316","Henschel, Dagmar; Wijaya, Karna; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CX. Hydroxylammonium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1) and 2-aminopyridinium di(methanesulfonyl)amidate 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1/1)","Acta Crystallographica Section C","1999","55","4","664","668","10.1107/S0108270199001274","","","0.71073","MoKα","","0.058","0.033","","","","0.074","","","","","","0.883","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008333","10.48","0.002","11.949","0.002","15.005","0.003","90","","90","","90","","1879","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4‒(N‒Methylnitramino)-1‒methylpyridinium bromide","","- C7 H10 Br N3 O2 -","- C7 H10 Br N3 O2 -","- C56 H80 Br8 N24 O16 -","8","1","CF1290","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz","1-Methyl-4-(<i>N</i>-methylnitramino)pyridinium bromide","Acta Crystallographica Section C","1999","55","4","691","693","10.1107/S0108270198014656","","","0.71073","MoKα","","0.0664","0.0293","","","","0.0823","","","","","","1","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008350","13.2974","0.0006","7.9474","0.0004","27.3988","0.0014","90","","90","","90","","2895.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,4-Dihydro-1H-isoquinoline-2-carbamoyl-3-methylimidazolium Iodide","","- C14 H16 I N3 O -","- C14 H16 I N3 O -","- C112 H128 I8 N24 O8 -","8","1","FG1529","Batey, Robert A.; Yoshina-Ishii, Chiaki; Lough, Alan J.","3-Methyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl)imidazolium iodide","Acta Crystallographica Section C","1999","55","4","615","618","10.1107/S0108270198016473","","","0.71073","MoKα","","0.086","0.041","","","","0.091","","","","","","0.981","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008368","13.585","0.002","35.391","0.007","7.067","0.002","90","","90","","90","","3397.7","1.3","296.2","","296.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-aminoethyl)-2,3-diphenylpiperazine hydrochloride","","- C18 H24 Cl N3 -","- C18 H24 Cl N3 -","- C144 H192 Cl8 N24 -","8","1","HA1247","Sarmistha Basu Majumder; Monika Mukherjee; Goutam Kumar Patra; Dipankar Datta; Madeleine Helliwell","2-(2,3-Diphenylpiperazin-1-yl)ethylammonium chloride","Acta Crystallographica Section C","1999","55","4","668","670","10.1107/S0108270198017648","","","1.5418","CuKα","","0.14","0.0561","","0.2646","0.1371","","","","1.056","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008370","31.425","0.005","14.289","0.002","12.375","0.002","90","","90","","90","","5556.8","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Cl N3 O8 Zn -","- C26 H36 Cl N3 O8 Zn -","- C208 H288 Cl8 N24 O64 Zn8 -","8","1","JZ1294","Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Huttner, Gottfried; Rutsch, Peter","[3,3'-Iminobis(<i>N</i>,<i>N</i>-dimethylpropylamine)](4'-methoxyflavonolato)zinc(II) perchlorate, [Zn(4'-MeOfla)(idpaH)]ClO~4~","Acta Crystallographica Section C","1999","55","4","557","558","10.1107/S0108270198016795","","","0.71073","MoKα","","0.097","0.059","","","","0.104","","","","","","1.123","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008378","14.0723","0.0009","7.462","0.002","21.489","0.001","90","","90","","90","","2256.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Dibromobiphenyl","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C96 H64 Br16 -","8","1","LN1062","MacNeil, Dean D.; Decken, Andreas","2,2'-Dibromobiphenyl","Acta Crystallographica Section C","1999","55","4","628","630","10.1107/S0108270198015339","","","1.54178","CuKα","","","0.0326","","","","0.113","","","","","","1.032","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008430","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Fangfang Jian; Lijian Jiang; Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Xiaozeng You","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C","1999","55","","574","576","","","","","","","","","","","","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008444","7.669","0.005","12.402","0.008","27.204","0.007","90","","90","","90","","2587","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","BM1292","K. Rajalakshmi; Niveta Jain; S. Deepthi; H.G. Krishnamurthy; Vasantha Pattabhi","7-Hydroxy-4-(4-methoxyphenyl)-3,4-dihydrocoumarin","Acta Crystallographica Section C","1999","55","5","813","815","10.1107/S0108270198016072","","","1.5418","CuKα","","0.0749","0.0699","","0.2033","0.1918","","","","1.077","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008461","12.148","0.002","24.682","0.002","8.021","0.002","90","","90","","90","","2405","0.7","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3-[2-(1,3-dioxolan-2-yl)ethyl]-2-methylbenzoic acid","","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","FR1181","Gerkin, Roger E.","3-[2-(1,3-Dioxolan-2-yl)ethyl]-2-methylbenzoic acid","Acta Crystallographica Section C","1999","55","5","798","801","10.1107/S0108270199000128","","","0.71073","MoKα","","","0.065","","","0.077","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008478","13.4442","0.0007","18.7746","0.001","24.5809","0.0012","90","","90","","90","","6204.5","0.6","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-dihydridotetrakis(trimethylphosphine)rhodium(III) bis(catecholato)borate","","- C24 H46 B O4 P4 Rh -","- C24 H46 B O4 P4 Rh -","- C192 H368 B8 O32 P32 Rh8 -","8","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.1043","0.0878","","","","0.1903","","","","","","1.448","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008493","14.06","0.0009","26.4879","0.0016","32.732","0.002","90","","90","","90","","12190","1.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","Tris(1,3-diaminopropane-N,N')nickel(II) diperchlorate","","- C9 H30 Cl2 N6 Ni O8 -","- C9 H30 Cl2 N6 Ni O8 -","- C216 H720 Cl48 N144 Ni24 O192 -","24","3","QA0097","Olof Kristiansson","Tris(1,3-diaminopropane-<i>N</i>,<i>N</i>')nickel(II) diperchlorate","Acta Crystallographica Section C","1999","55","5","IUC9900038","","10.1107/S0108270199099539","","","0.71073","MoKα","","0.104","0.06","","","","0.195","","","","","","1.03","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008525","10.594","0.002","7.461","0.004","22.92","0.005","90","","90","","90","","1811.6","1.1","153.2","","153.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H10 N4 O6 S -","- C2 H10 N4 O6 S -","- C16 H80 N32 O48 S8 -","8","1","BK1397","Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E.","Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~)","Acta Crystallographica Section C","1999","55","6","994","996","10.1107/S0108270198014619","","","0.7107","MoKα","","0.0411","0.023","","0.066","","0.034","","","2.217","","","2.44","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008542","24.309","0.005","13.543","0.003","41.392","0.008","90","","90","","90","","13627","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H37.5 Cu F12 N6.5 P2 -","- C28 H27.988 Cu F12 N6.5 P2 -","- C448 H447.808 Cu16 F192 N104 P32 -","16","2","CF1275","Alcock, Nathaniel W.; Zhang, Delong; Busch, Daryle H.","Tris(2-pyridylmethyl)triazacyclododecane complexes of Fe^II^ and Cu^II^","Acta Crystallographica Section C","1999","55","6","886","889","10.1107/S0108270198018381","","","0.71073","MoKα","","0.124","0.066","","","","0.179","","","","","","0.842","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2008550","16.8684","0.0001","15.3955","0.0001","17.52","0.0002","90","","90","","90","","4549.9","0.07","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8b,8c-dibenzoyl-4b-nitro-4b,8b,8c,8d- tetrahydrodibenzo[a,f]cyclopropa[cd]pentalene","","- C30 H19 N O4 -","- C30 H19 N O4 -","- C240 H152 N8 O32 -","8","1","DA1047","Muneer, M.; Ramaiah, D.; Ajitkumar, E. S.; Sajimon, M. C.; Rath, Nigam P.; George, M. V.","Regioselectivity in dibenzobarrelene photorearrangements: photoproducts derived from 9-substituted-dibenzobarrelenes","Acta Crystallographica Section C","1999","55","6","996","1000","10.1107/S0108270199000487","","","0.71073","MoKα","","0.061","0.045","","","","0.11","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008569","7.937","0.003","37.789","0.004","9.696","0.003","90","","90","","90","","2908.1","1.5","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","dipotassium naphthalene-1,8-dicarboxylate.potassium bicarbonate","","","- C13 H7 K3 O7 -","- C13 H7 K3 O7 -","- C104 H56 K24 O56 -","8","1","FR1190","Fitzgerald, Lawrence J.; Gerkin, Roger E.","Dipotassium naphthalene-1,8-dicarboxylate‒potassium bicarbonate","Acta Crystallographica Section C","1999","55","6","918","921","10.1107/S0108270199002966","","","0.71073","MoKα","","","0.044","","","","0.074","","","","","","1.35","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008610","6.573","0.005","10.687","0.005","30.531","0.005","90","","90","","90","","2144.7","1.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,4-dicholoro-5-nitrobenzoic sodium dihydrate","","- C7 H6 Cl2 N Na O6 -","- C7 H6 Cl2 N Na O6 -","- C56 H48 Cl16 N8 Na8 O48 -","8","1","QA0071","Morales, Angel Dago; Novoa de Armas, Héctor; Lisbet Xuárez Marill; Rolando Pellón Comdom; García-Granda, Santiago","Sodium 2,4-dichloro-5-nitrobenzoate dihydrate","Acta Crystallographica Section C","1999","55","6","IUC9900056","","10.1107/S0108270199099382","","","0.71069","MoKα","","0.122","0.057","","0.197","0.138","","","","1.204","1.266","1.266","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2008695","11.7954","0.0005","7.6537","0.0003","46.732","0.002","90","","90","","90","","4218.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2RS,5RS)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","","- C25 H28 O3 -","- C25 H28 O3 -","- C200 H224 O24 -","8","1","LN1083","H. Surya Prakash Rao; S. P. Senthilkumar; Kandasamy Chinnakali; Hoong-Kun Fun","(2<i>RS</i>,5<i>RS</i>)-2,5-Bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one","Acta Crystallographica Section C","1999","55","7","1130","1132","10.1107/S0108270199004151","","","0.71073","MoKα","","0.107","0.068","","","","0.148","","","","","","1.14","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008756","9.165","0.003","36.319","0.003","8.353","0.004","90","","90","","90","","2780.4","1.6","213","1","213","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3,4,5,6,7-hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C104 H136 N8 O40 S8 -","8","1","BM1336","Linden, Anthony; Todorova, Tonya R.; Heimgartner, Heinz","2,3,4,5,6,7-Hexahydro-9,10-dimethoxy-1,2-benzothiazonin-3-one 1,1-dioxide","Acta Crystallographica Section C","1999","55","8","1375","1377","10.1107/S0108270199007489","","","0.71069","MoKα","","0.071","0.042","","","","0.115","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008767","14.623","0.007","9.729","0.005","19.228","0.01","90","","90","","90","","2736","2","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Sodium nitrilotriacetatomagnesium pentahydrate","Sodium nitriloacetatomagnesate(1-) pentahydrate","","- C6 H16 Mg N Na O11 -","- C6 H16 Mg N Na O11 -","- C48 H128 Mg8 N8 Na8 O88 -","8","1","CF1309","Kaneyoshi, Masami; Bond, Andrew; Jones, William","Sodium (nitrilotriacetato)magnesate pentahydrate","Acta Crystallographica Section C","1999","55","8","1260","1262","10.1107/S0108270199004886","","","1.54178","CuKα","","0.039","0.03","","","","0.077","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008787","12.758","0.003","6.964","0.001","16.053","0.003","90","","90","","90","","1426.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1236","0.0585","","","","0.1804","","","","","","1.092","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008788","12.756","0.003","6.87","0.001","15.74","0.003","90","","90","","90","","1379.4","0.5","90","0.1","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(N-Methylnitramino)-pyridine 1-oxide","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C48 H56 N24 O24 -","8","1","GD1027","Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.","4-(<i>N</i>-Methylnitramino)pyridine 1-oxide","Acta Crystallographica Section C","1999","55","8","1292","1295","10.1107/S0108270199004552","","","0.71073","MoKα","","0.1045","0.0575","","","","0.1462","","","","","","1.153","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008847","15.6977","0.0001","8.7328","0.0001","21.2064","0.0005","90","","90","","90","","2907.08","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C136 H120 N24 O16 -","8","1","QB0104","Xiao-Feng Chen; Xu-Hui Zhu; Jagadese J. Vittal; Xiao-Zeng You","5-[(2-Ethoxyphenyl)diazenyl]quinolin-8-ol","Acta Crystallographica Section C","1999","55","8","IUC9900095","","10.1107/S0108270199098947","","","0.71073","MoKα","","0.092","0.068","","","","0.136","","","","","","1.225","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008963","9.8615","0.0001","10.6446","0.0002","13.6513","0.0001","90","","90","","90","","1433","0.03","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tert-Butylhydrazine hydrochloride","t-Butylhydrazine hydrochloride","","- C4 H13 Cl N2 -","- C4 H13 Cl N2 -","- C32 H104 Cl8 N16 -","8","1","QA0162","Schumann, Herbert; Gottfriedsen, Jochen; Dechert, Sebastian","Redetermination of <i>tert</i>-butylhydrazinium chloride","Acta Crystallographica Section C","1999","55","9","IUC9900109","","10.1107/S0108270199098819","","","0.71073","MoKα","","0.035","0.029","","","","0.081","","","","","","1.074","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009059","11.5244","0.0002","19.1647","0.0003","24.8355","0.0001","90","","90","","90","","5485.21","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro Pyrazolidine [5.3] 4'-Flavanone.","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","QA0170","Krishna, R.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Fun, Hoong-Kun; Manikandan, S.; Raghunathan, R.","2,4,5-Triphenylspiro[pyrazolidine-3,3'-(4'-flavanone)]","Acta Crystallographica Section C","1999","55","10","IUC9900120","","10.1107/S0108270199098662","","","0.71073","MoKα","","0.085","0.055","","","","0.128","","","","","","1.131","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009078","9.0605","0.0002","17.8725","0.0001","31.4066","0.0006","90","","90","","90","","5085.79","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene- 3',4',9',10'-(3'α,4'α,9'α,10'α)-tetrahedron-4',9'-methanonaphthalene","","- C34 H25 N O3 -","- C34 H25 N O3 -","- C272 H200 N8 O24 -","8","1","SK1309","S.Shanmuga Sundara Raj; Hoong-Kun Fun; Jie, Xue; Jia-Hai, Ye; Hu, Cai; Jian-Hua, Xu","1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'<i>H</i>-oxeto[3,2-<i>b</i>]naphthalen]-2-one","Acta Crystallographica Section C","1999","55","10","1674","1675","10.1107/S0108270199008744","","","0.71073","MoKα","","0.1306","0.067","","","","0.1581","","","","","","1.083","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009097","9.1378","0.001","10.9924","0.0014","30.58","0.003","90","","90","","90","","3071.6","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate","","- C13 H28 N2 O3 -","- C13 H28 N2 O3 -","- C104 H224 N16 O24 -","8","1","BM1355","Freytag, Matthias; Jones, Peter G.","Hydrogen bonding in two piperidinium derivatives","Acta Crystallographica Section C","1999","55","11","1874","1877","10.1107/S0108270199009567","","","0.71073","MoKα","","0.088","0.038","","","","0.078","","","","","","0.797","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009098","16.3206","0.0007","15.6683","0.0007","19.3267","0.0009","90","","90","","90","","4942.1","0.4","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 B N O2 -","- C13 H14 B N O2 -","- C208 H224 B16 N16 O32 -","16","2","BM1357","Clegg, William; Scott, Andrew J.; Souza, Fábio E.S.; Marder, Todd B.","1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane","Acta Crystallographica Section C","1999","55","11","1885","1888","10.1107/S0108270199010343","","","0.71073","MoKα","","0.0618","0.0474","","","","0.118","","","","","","1.062","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009126","17.4","0.003","27.085","0.002","6.119","0.002","90","","90","","90","","2883.8","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C144 H112 O32 -","8","1","FR1226","Aumiller, Wade D.; Gerkin, Roger E.","Network of C—H···O interactions in dimethyl anthracene-1,8-dicarboxylate","Acta Crystallographica Section C","1999","55","11","1855","1857","10.1107/S010827019900983X","","","0.71073","MoKα","","","0.063","","","","0.076","","","","","","1.29","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009139","8.906","0.001","18.295","0.002","21.855","0.003","90","","90","","90","","3561","0.7","291","2","18","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","phenanthroline‒tetraaqua‒zinc(II) sulfate dihydrate","","- C12 H20 N2 O10 S Zn -","- C12 H20 N2 O10 S Zn -","- C96 H160 N16 O80 S8 Zn8 -","8","1","JA1003","Zhang, Cungen; Yu, Kaibei; Wu, Dan; Zhao, Chengxue","Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate","Acta Crystallographica Section C","1999","55","11","1815","1817","10.1107/S0108270199009294","","","0.71073","MoKα","","0.073","0.035","","0.077","","0.07","","","0.841","","","1.008","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2009158","13.356","0.005","23.06","0.005","14.719","0.005","90","0.005","90","0.005","90","0.005","4533","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H25 Ca N3 O5 S2 -","- C19 H25 Ca N3 O5 S2 -","- C152 H200 Ca8 N24 O40 S16 -","8","1","OB1014","Kubo, Kanji; Yamamoto, Emi; Kato, Nobuo; Mori, Akira","<i>N</i>-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate","Acta Crystallographica Section C","1999","55","11","1819","1821","10.1107/S0108270199009300","","","1.54184","CuKα","","0.061","0.04","","","","0.117","","","","","","1.04","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009181","10.72","0.002","10.7","0.002","15.35","0.002","90","","90","","90","","1760.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 N2 O4 -","- C9 H6 N2 O4 -","- C72 H48 N16 O32 -","8","1","QB0119","Kovalevsky, A. Yu.; Ponomarev, I. I.","2-Methyl-7-nitro-4<i>H</i>-3,1-benzoxazin-4-one","Acta Crystallographica Section C","1999","55","11","IUC9900136","","10.1107/S0108270199098431","","","0.71073","MoKα","","0.072","0.041","","0.149","","0.119","","","1","","","1.195","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009218","12.412","0.002","9.68","0.002","11.191","0.002","90","","90","","90","","1344.6","0.4","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,4-Di(tert-butyl)-3-hexene-2,5-dione","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","0.5","BM1331","Klein, Oliver; Dix, Ina; Hopf, Henning; Jones, Peter G.","(<i>E</i>)-3,4-Di-<i>tert</i>-butylhex-3-ene-2,5-dione","Acta Crystallographica Section C","1999","55","12","2078","2080","10.1107/S0108270199012731","","","0.71073","MoKα","","0.063","0.048","","","","0.134","","","","","","1.058","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009222","13.08","0.003","11.978","0.003","27.915","0.004","90","","90","","90","","4373.5","1.6","178","2","178","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N-bis(p-toluenesulfonyl)-1-adamantylamine","","- C24 H29 N O4 S2 -","- C24 H29 N O4 S2 -","- C192 H232 N8 O32 S16 -","8","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0963","0.044","","","","0.1289","","","","","","0.944","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009225","13.534","0.003","7.0535","0.0014","29.526","0.008","90","","90","","90","","2818.6","1.1","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-fluoro-4-nitro)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","","- C16 H15 F N2 O3 -","- C16 H15 F N2 O3 -","- C128 H120 F8 N16 O24 -","8","1","BM1367","Clegg, William; Elsegood, Mark R. J.; Stanforth, Stephen P.; Hedley, K. Andrew; Stanley, Alan L.; Raper, Eric S.; Creighton, James R.","2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and <i>N</i>-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","12","2163","2167","10.1107/S010827019901104X","","","0.71073","MoKα","","0.098","0.057","","","","0.211","","","","","","1.115","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009283","9.714","0.002","16.742","0.002","16.54","0.002","90","","90","","90","","2689.9","0.7","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyltelluro-N-phenylbenzamide","","- C14 H13 N O Te -","- C14 H13 N O Te -","- C112 H104 N8 O8 Te8 -","8","1","JA1000","Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.","2-Methyltelluro-<i>N</i>-phenylbenzamide","Acta Crystallographica Section C","1999","55","12","2100","2102","10.1107/S010827019901118X","","","0.71073","MoKα","","0.036","0.027","","","","0.074","","","","","","1.031","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009320","10.0695","0.0008","8.2112","0.0006","29.701","0.003","90","","90","","90","","2455.8","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Phenylferrocene","Phenylferrocene","","- C16 H14 Fe -","- C16 H14 Fe -","- C128 H112 Fe8 -","8","1","QB0130","Fan, Hua-Jun; Carducci, Michael D.; Grittini, Carina; Mendoza, Alvaro; Lichtenberger, Dennis L.","Phenylferrocene","Acta Crystallographica Section C","1999","55","12","IUC9900154","","10.1107/S0108270199098406","","","0.71073","MoKα","","0.104","0.04","","","","0.092","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009334","15.758","0.003","15.306","0.002","14.496","0.002","90","","90","","90","","3496.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Perchlorato[(5RS,9SR)-1,5,9,13-tetraazatridecane]copper(II) perchlorate","","- C9 H24 Cl2 Cu N4 O8 -","- C9 H24 Cl2 Cu N4 O8 -","- C72 H192 Cl16 Cu8 N32 O64 -","8","1","QB0141","Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Tung, Shu-Fang; Chung, Chung-Sun","[(5<i>RS</i>,9<i>SR</i>)-4,8-Diazaundecane-1,11-diamine](perchlorato-<i>O</i>,<i>O</i>')copper(II) perchlorate","Acta Crystallographica Section C","1999","55","12","IUC9900172","","10.1107/S0108270199098339","","","0.71073","MoKα","","0.165","0.058","","","","0.164","","","","","","0.955","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009336","8.856","0.001","9.349","0.001","19.778","0.001","90","","90","","90","","1637.5","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-but-3-en-2-one","","- C10 H10 O -","- C10 H10 O -","- C80 H80 O8 -","8","1","QB0145","Degen, Alexander; Bolte, Michael","4-Phenylbut-3-en-2-one (benzalacetone)","Acta Crystallographica Section C","1999","55","12","IUC9900170","","10.1107/S0108270199098236","","","0.71073","MoKα","","0.0496","0.0411","","","","0.1218","","","","","","1.108","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009358","7.1468","0.0006","11.994","0.007","29.493","0.005","90","","90","","90","","2528.1","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-pyridinecarboxaldehyde benzoyl hydrazone hydrate","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","TA1264","Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.","The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone","Acta Crystallographica Section C","1999","55","12","2102","2105","10.1107/S0108270199011531","","","0.71073","MoKα","","0.058","0.034","","","","0.127","","","","","","1.059","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009371","11.552","0.002","22.165","0.001","20.89","0.002","90","","90","","90","","5348.9","1.1","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C22 H39 N O8 -","- C22 H39 N O8 -","- C176 H312 N8 O64 -","8","1","CR1056","Newkome, G.R.; Behera, R.K.; Baker, G.R.; Fronczek, F.R.","Di-<i>tert</i>-butyl 4-[2-(<i>tert</i>-butoxycarbonyl)ethyl]-4-nitroheptanedioate, C~22~H~39~NO~8~","Acta Crystallographica Section C","1994","50","1","120","122","10.1107/S0108270193006006","","","1.54184","CuKα","","","0.069","","","0.09","","","","","4.092","4.092","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009387","8.107","0.002","9.757","0.002","26.891","0.006","90","0.01","90","0.01","90","0.01","2127.1","0.8","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-methylnitrilotriacetamide","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C56 H112 N32 O24 -","8","1","HH1070","Skrzypczak-Jankun, Ewa; Smith, Douglas A.","<i>N</i>-Methylnitrilotriacetamide, C~7~H~14~N~4~O~3~","Acta Crystallographica Section C","1994","50","1","91","93","10.1107/S0108270193010844","","","0.71073","MoKα","","","0.055","","","0.073","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009391","9.063","0.002","18.205","0.002","18.681","0.001","90","","90","","90","","3082.2","0.8","293","","293","","","","","","","","","3","P b c a","","","","1-chloro-1,2,2-triphenylethene","","- C20 H15 Cl -","- C20 H15 Cl -","- C160 H120 Cl8 -","8","1","KA1043","Herdtweck, Eberhardt; Ziche, Wolfgang; Auner, Norbert","1-Chloro-1,2,2-triphenylethene, C~20~H~15~Cl","Acta Crystallographica Section C","1994","50","1","81","83","10.1107/S0108270193007115","","","0.71073","MoKα","","0.055","0.055","","0.035","0.035","","","","3.154","3.154","3.154","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009410","20.838","0.004","19.88","0.004","10.861","0.003","90","","90","","90","","4499.3","1.8","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O6 -","- C24 H20 N4 O6 -","- C192 H160 N32 O48 -","8","1","NA1037","Donati, D.; Fiorenza, M.; Sarti-Fantoni, P.","Structure of [1α(<i>E</i>),5α,6β,7α]-4-methyl-7-(3-methyl-4-nitro-5-isoxazolyl)-5-nitro-6-phenyl-1-styryl-2-oxa-3-azabicyclo[3.2.0]hept-3-ene","Acta Crystallographica Section C","1994","50","1","141","144","10.1107/S010827019300633X","","","1.5418","CuKα","","","0.043","","","0.049","","","","","0.088","0.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009456","16.748","0.001","27.619","0.003","7.962","0.001","90","","90","","90","","3682.9","0.6","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H17 Cl O8 P2 -","- C14 H17 Cl O8 P2 -","- C112 H136 Cl8 O64 P16 -","8","1","HU1041","Olszak, T.A.; Stepien, A.J.; Renz, M.; Grabowski, M.J.","2<i>H</i>-1-Benzopyrans. I. (<i>E</i>)-4-Chloro-2-[dimethoxyphosphoryl(dimethoxyphosphoryloxy)methylene]-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1994","50","2","284","286","10.1107/S0108270193010145","","","1.54178","Cu","","","0.049","","","0.0451","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009481","7.404","0.001","5.591","0.001","87.662","0.009","90","","90","","90","","3628.8","0.9","296","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H36 O2 -","- C18 H36 O2 -","- C144 H288 O16 -","8","1","OH1030","Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.","Double-layered polytypic structure of the B form of octadecanoic acid, C~18~H~36~O~2~","Acta Crystallographica Section C","1994","50","2","245","247","10.1107/S010827019300736X","","","1.5418","CuKα","","","0.062","","","0.086","","","","","1.66","1.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009487","7.359","0.001","5.609","0.001","88.41","0.01","90","","90","","90","","3649.3","0.9","286","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C18 H36 O2 -","- C18 H36 O2 -","- C144 H288 O16 -","8","1","OH1038","Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.","Double-layered polytypic structure of the E form of octadecanoic acid, C~18~H~36~O~2~","Acta Crystallographica Section C","1994","50","2","247","250","10.1107/S0108270193007243","","","1.5418","CuKα","","","0.064","","","0.095","","","","","1.99","1.99","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009527","20.935","0.003","22.391","0.003","9.756","0.003","90","","90","","90","","4573.2","1.7","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C23 H20 Br3 N3 O2 -","- C23 H20 Br3 N3 O2 -","- C184 H160 Br24 N24 O16 -","8","1","CR1063","Jircitano, A.J.; Sommerer, S.O.; Shelley, J.J.; Westcott, B.L.; Suh, Il-Hwan","The self-condensation of a derivative of <i>o</i>-aminobenzaldehyde. Structure of the polycyclic bisanhydro trimer of 2-amino-5-bromobenzaldehyde","Acta Crystallographica Section C","1994","50","3","445","447","10.1107/S0108270193006894","","","0.71069","MoKα","","","0.083","","","0.0895","","","","","0.9352","0.9352","","","","","has coordinates","191096","2020-10-21","18:00:00",""
"2009575","10.521","0.001","18.425","0.003","18.449","0.002","90","","90","","90","","3576.3","0.8","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H16 Cl2 N8 Zn -","- C14 H16 Cl2 N8 Zn -","- C112 H128 Cl16 N64 Zn8 -","8","1","AB1080","Salas, J.M.; Romero, M.A.; Rahmani, A.; Faure, R.","Dichlorobis(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)zinc(II)","Acta Crystallographica Section C","1994","50","4","510","512","10.1107/S0108270193009448","","","0.7107","MoKα","","","0.026","","","0.027","","","","","1.5","1.5","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2009599","33.023","0.002","11.21","0.001","8.637","0.002","90","","90","","90","","3197.3","0.8","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Methyl 6c-benzoyl-2a,2b,6b,6c-tetrahydrobenzo[a]cyclopropa[cd] pentalene-6b-carboxylate OR Methyl 1-benzoylbenzo[f]tricyclo[3.3.0.0^2,8^]octa-3,6-dien- 5-carboxylate OR Methyl 3-benzoyltetracyclo[6.4.0.0^2,4^.0^3,7^]dodeca- 1(8),5,9,11-tetraen-7-carboxylate","","- C21 H16 O3 -","- C21 H16 O3 -","- C168 H128 O24 -","8","1","CD1059","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James; Yap, Melvin","An ethenonaphthalene and one of its photolysis products","Acta Crystallographica Section C","1994","50","4","578","581","10.1107/S0108270193010819","","","1.5418","CuKα","","0.054","0.042","","0.064","0.063","","","","","2","2","","","","","has coordinates","190398","2020-10-21","18:00:00",""
"2009632","6.98","0.02","29.76","0.02","12.491","0.007","90","","90","","90","","2595","8","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C17 H9 N S -","- C17 H8 N S -","- C136 H64 N8 S8 -","8","1","LI1064","Barrow, M. J.; Milburn, G. H. W.; Zeng, Z.; Sarkar, A.; Talwar, S. S.","1-(3-Quinolyl)-4-(2-thienyl)-1,3-butadiyne, C~17~H~9~NS","Acta Crystallographica Section C","1994","50","4","650","652","10.1107/S0108270193009497","","","0.7107","MoKα","","","0.064","","","0.065","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009637","18.145","0.001","10.364","0.004","21.596","0.004","90","","90","","90","","4061.2","1.8","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C21 H24 I N O3 -","- C21 H24 I N O3 -","- C168 H192 I8 N8 O24 -","8","1","NA1044","Sabatino, P.; Recanatini, M.; Tumiatti, V.; Melchiorre, C.","Structural studies on the antimuscarinic agents spiro-DAMP and hydroxy-DAMP, and comparison with related compounds","Acta Crystallographica Section C","1994","50","4","640","645","10.1107/S0108270193010017","","","0.71069","MoKα","","","0.039","","","0.042","","","","","1.04","1.04","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009644","18.331","0.003","15.887","0.005","7.643","0.002","90","","90","","90","","2225.8","1","292","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","1","OH1032","Kubo, K.; Mori, A.; Takeshita, H.; Tsuzuki, H.","5- and 7-dicyanomethylene-1,2-ethylenedithiocycloheptatrienes","Acta Crystallographica Section C","1994","50","4","603","606","10.1107/S0108270193009643","","","1.54184","CuKα","","","0.04948","","","0.063","","","","","2.45","2.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009718","11.151","0.002","29.244","0.004","6.666","0.002","90","","90","","90","","2173.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ORG9768","2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C88 H128 Cl8 N8 -","8","1","LI1078","Barnes, John C.; Paton, John D.; Rae, Duncan; Cairns, James; Redpath, James","2,3-Dihydro-2-methyl-2-indenylmethylammonium chloride","Acta Crystallographica Section C","1994","50","5","728","729","10.1107/S0108270193011254","","","0.71069","MoKα","","0.0654","0.0612","","0.1768","0.1734","","","","1.379","1.393","1.393","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009757","11.14","0.01","27.092","0.003","7.179","0.004","90","","90","","90","","2167","2","293","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Hg O2 S -","- C9 H10 Hg O S2 -","- C72 H80 Hg8 O8 S16 -","8","1","AS1099","Tiekink, Edward R.T.","(<i>O</i>-Ethyl dithiocarbonato-κ<i>S</i>)phenylmercury, [Hg(C~3~H~5~OS~2~)(C~6~H~5~)]","Acta Crystallographica Section C","1994","50","6","861","862","10.1107/S0108270194000259","","","0.71073","MoKα","","0.215","0.043","","0.178","0.047","","","","4.81","1.86","1.86","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009758","16.786","0.001","15.099","0.001","13.291","0.002","90","","90","","90","","3368.6","0.6","294","","294","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Propyl 12-carboxy-9,10-dihydro-9,10- ethenoanthracene-11-carboxylate","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","BK1006","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","Isopropyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","6","922","924","10.1107/S0108270193014003","","","1.5418","CopperKα","","0.122","0.055","","0.081","0.077","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009787","10.257","0.003","16.941","0.007","14.13","0.007","90","","90","","90","","2455.3","1.7","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H7 Ga3 N O13 P3 -","- C H6 Ga3 N O13 P3 -","- C8 H48 Ga24 N8 O104 P24 -","8","1","LI1069","Glasser, F.P.; Howie, R.A.; Kan, Q.","Methylammonium tris(galliophosphate)hydroxide","Acta Crystallographica Section C","1994","50","6","848","850","10.1107/S0108270193011163","","","0.71005","MoKα","","","0.031","","","0.057","","","","","1.0561","1.0561","","","","","has coordinates","192203","2020-10-21","18:00:00",""
"2009812","8.942","0.002","20.445","0.002","28.448","0.004","90","","90","","90","","5200.8","1.5","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H23 Mo O3 P -","- C32 H23 Mo O3 P -","- C256 H184 Mo8 O24 P8 -","8","1","ST1064","Jaques, D.; Clark, J.R.; Chebi, D.E.; Fanwick, P.E.; Rothwell, I.P.","[Mo{P(Ph)~2~OC~6~H~3~(Ph)(η^6^-Ph)}(CO)~2~]","Acta Crystallographica Section C","1994","50","6","898","899","10.1107/S0108270193011746","","","0.71073","MoKα","","","0.028","","","0.036","","","","","0.992","0.992","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009825","11.487","0.002","12.067","0.001","18.967","0.003","90","","90","","90","","2629.1","0.7","295","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Cl2 O4 Pt2 S2 -","- C4 H14 Cl2 O4 Pt2 S2 -","- C32 H112 Cl16 O32 Pt16 S16 -","8","1","AB1105","Burgarcic, Z.; Lövqvist, K.; Oskarsson, A.","[{PtCl(dmso)}~2~(μ-OH)~2~]","Acta Crystallographica Section C","1994","50","7","1028","1031","10.1107/S0108270193011989","","","0.71069","MoKα","","","0.038","","","0.048","","","","","1.09","1.09","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2009841","18.316","0.002","19.075","0.002","15.607","0.002","90","","90","","90","","5452.7","1.1","294","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H80 N10 O32 Y2 -","- C32 H70 N10 O32 Y2 -","- C128 H280 N40 O128 Y8 -","4","0.5","BR1049","Inoue, M.B.; Inoue, M.; Fernando, Q.","Yttrium(III) and lanthanum(III) complexes of a 15-membered macrocycle with three pendant carboxymethyl groups","Acta Crystallographica Section C","1994","50","7","1037","1040","10.1107/S0108270193011151","","","0.71073","MoKα","","","0.047","","","0.065","","","","","1.75","1.75","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009842","18.259","0.001","19.181","0.001","15.738","0.001","90","","90","","90","","5511.9","0.5","292","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C32 H80 La2 N10 O32 -","- C32 H76 La2 N10 O32 -","- C128 H304 La8 N40 O128 -","4","0.5","BR1049","Inoue, M.B.; Inoue, M.; Fernando, Q.","Yttrium(III) and lanthanum(III) complexes of a 15-membered macrocycle with three pendant carboxymethyl groups","Acta Crystallographica Section C","1994","50","7","1037","1040","10.1107/S0108270193011151","","","0.71073","MoKα","","","0.022","","","0.034","","","","","1.32","1.32","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009876","11.227","0.002","14.155","0.005","15.476","0.003","90","","90","","90","","2459.4","1.1","293","3","","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C10 H8 N2 O3 S2 V -","- C10 H8 N2 O3 S2 V -","- C80 H64 N16 O24 S16 V8 -","8","1","KA1029","Higes-Rolando, F.J.; Perez-Florindo, A.; Valenzuela-Calahorro, C.; Martin-Ramos, J.D.; Romero-Garzon, J.","Oxobis(<i>N</i>-oxopyridine-2-thiolato-<i>N</i>,<i>O</i>)vanadium(IV)","Acta Crystallographica Section C","1994","50","7","1049","1052","10.1107/S0108270194000089","","","0.71069","MoKα","","","0.054","","","0.03","","","","","1.54","1.54","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009930","26.191","0.002","15.218","0.002","6.95","0.002","90","","90","","90","","2770.1","0.9","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Ge -","- C17 H16 Ge -","- C136 H128 Ge8 -","8","1","AS1113","Ogawa, Keiichiro; Takeuchi, Yoshito; Manuel, Georges; Boukherroub, Rabah","Spiro[3-germabicyclo[3.1.0]hexane-3,9'-[9]germafluorene]","Acta Crystallographica Section C","1994","50","8","1337","1339","10.1107/S010827019400291X","","","1.5418","CuKα","","","0.025","","","0.026","","","","","2.29","2.29","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009980","6.603","0.001","11.933","0.002","16.743","0.003","90","","90","","90","","1319.2","0.4","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 Ag N2 O3 -","- C4 H7 Ag N2 O3 -","- C32 H56 Ag8 N16 O24 -","8","1","NA1029","Quirós, M.","Silver 2-pyrimidinolate dihydrate, [Ag(C~4~H~3~N~2~O)].2H~2~O: a case of pseudosymmetry","Acta Crystallographica Section C","1994","50","8","1236","1239","10.1107/S0108270193012995","","","0.71069","MoKα","","","0.034","","","0.064","","","","","0.87","0.87","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009988","17.765","0.003","17.94","0.002","15.39","0.002","90","","90","","90","","4904.9","1.2","298","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C24 H29 O7 P S -","- C24 H29 O7 P S -","- C192 H232 O56 P8 S8 -","8","1","OH1054","Hayase, S.; Erabi, T.; Wada, M.","Tris(2,6-dimethoxyphenyl)phosphine sulfide monohydrate","Acta Crystallographica Section C","1994","50","8","1276","1279","10.1107/S0108270193012491","","","1.54178","CuKα","","","0.054","","","0.083","","","","","5.48","5.48","","","","","has coordinates","189763","2020-10-21","18:00:00",""
"2009999","12.072","0.003","8.349","0.002","18.819","0.007","90","","90","","90","","1896.8","1","294","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 F N2 O3 -","- C10 H7 F N2 O3 -","- C80 H56 F8 N16 O24 -","8","1","ST1077","DesMarteau, D. D.; Pennington, W. T.; Resnati, G.","Fluorinated barbituric acid derivatives","Acta Crystallographica Section C","1994","50","8","1305","1308","10.1107/S0108270193012582","","","0.71073","MoKα","","","0.0523","","","0.0646","","","","","1.63","1.63","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010000","14.737","0.002","15.2","0.001","20.762","0.003","90","","90","","90","","4650.7","1","293","","","","","","","","","","","7","P b c a","","","","","","- C25 H16 Cl Cu N5 O4 S -","- C25 H16 Cl Cu N5 O4 S -","- C200 H128 Cl8 Cu8 N40 O32 S8 -","8","1","ST1086","Parker, O. Jerry; Manson, Jamie L.; Breneman, Gary L.","Isothiocyanatobis(1,10-phenanthroline)copper(II) perchlorate, [Cu(NCS)(phen)~2~]ClO~4~","Acta Crystallographica Section C","1994","50","8","1201","1203","10.1107/S0108270194003057","","","0.71073","MoKα","","","0.038","","","0.047","","","","","1.77","1.77","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010010","19.4943","0.0015","12.2427","0.0007","8.5428","0.0005","90","","90","","90","","2038.8","0.2","122","2","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ethyl adenin-9-ylacetate","Ethyl 9-(6-amino-(imidazo[5,4-d]pyrimidine))-acetate","","- C9 H11 N5 O2 -","- C9 H11 N5 O2 -","- C72 H88 N40 O16 -","8","1","AB1182","Flensburg, Claus; Egholm, Michael","Ethyl 9-adeninylacetate at 122 K","Acta Crystallographica Section C","1994","50","9","1480","1482","10.1107/S010827019400541X","","","1.5418","CuKα","","0.0336","0.0318","","","","","","","1.087","1.114","1.114","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010074","24.07","0.02","12.216","0.007","7.406","0.006","90","","90","","90","","2178","3","293","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","AB1116","Wenjie, L.; Genbo, S.; Yougping, H.","4-Amino-3-chlorobenzophenone","Acta Crystallographica Section C","1994","50","10","1638","1640","10.1107/S0108270194000843","","","0.71069","MoKα","","","0.062","","","0.072","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010134","12.226","0.003","16.873","0.003","18.401","0.004","90","","90","","90","","3795.9","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","eq-tert-butylnitrile-1κN-nonacarbonyl-1κ^4^C,2κ^5^C-manganeserhenium(Mn-Re)","","- C14 H9 Mn N O9 Re -","- C14 Mn N O9 Re -","- C112 Mn8 N8 O72 Re8 -","8","1","AB1171","Beckers, Hans-Günther; Flörke, Ulrich; Haupt, Hans-Jürgen","Nonacarbonyl-1κ^4^<i>C</i>,2κ^5^<i>C</i>-pivalonitrile-1κ<i>N</i>-manganeserhenium(<i>Mn</i>‒<i>Re</i>): unsymmetrical distortions of equatorial carbonyl ligands","Acta Crystallographica Section C","1994","50","11","1671","1673","10.1107/S0108270194003318","","","0.71073","MoKα","","0.0883","0.0505","","0.1492","0.1223","","","","1.037","1.071","1.071","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010144","44.04","0.01","14.27","0.005","5.891","0.004","90","","90","","90","","3702","3","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C22 H15 Br2 N O -","- C22 H15 Br2 N O -","- C176 H120 Br16 N8 O8 -","8","1","AS1086","Li, Z.; Su, G.; Huang, X.","1-[4-(4-Bromobenzylideneamino)phenyl]-3-(4-bromophenyl)-2-propen-1-one","Acta Crystallographica Section C","1994","50","11","1788","1790","10.1107/S0108270194001186","","","0.71069","MoKα","","","0.064","","","0.072","","","","","1.64","1.64","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010210","10.003","0.002","14.636","0.003","28.724","0.007","90","","90","","90","","4205.3","1.6","296","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C216 H176 N16 O16 -","8","1","LI1081","He, Y.; Su, G.; Shi, J.","4,4'-Methylenediiminobis(benzophenone)","Acta Crystallographica Section C","1994","50","11","1786","1788","10.1107/S0108270194002246","","","0.71069","MoKα","","","0.071","","","0.082","","","","","1.63","1.63","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010212","13.627","0.003","16.619","0.006","23.942","0.004","90","","90","","90","","5422","2","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 Co N5 O3.5 -","- C29 H31 Co N5 O3.5 -","- C232 H248 Co8 N40 O28 -","8","1","MU1118","Elerman, Yalcin; Kabak, Mehmet; Svoboda, Ingrid; Geselle, Marcus","{Tris[<i>N</i>-(salicylidene)-2-aminoethyl]amine}cobalt(III) acetonitrile hemihydrate","Acta Crystallographica Section C","1994","50","11","1694","1696","10.1107/S0108270194005871","","","0.71069","MoKα","","0.0952","0.051","","0.1603","0.1316","","","","1.115","1.181","1.181","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2010286","7.49","0.002","21.689","0.003","11.17","0.006","90","","90","","90","","1814.6","1.1","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O S2 -","- C9 H6 O S2 -","- C72 H48 O8 S16 -","8","1","HA1104","Armes, S.P.; Chaloner, P.A.; Hitchcock, P.B.; Simmons, M.R.","2,2'-Bithiophene-5-carbaldehyde","Acta Crystallographica Section C","1994","50","12","1945","1947","10.1107/S0108270194004798","","","0.71069","MoKα","","","0.065","","","0.066","","","","","1.6","1.6","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010301","14.3","0.001","18.202","0.001","23.347","0.001","90","","90","","90","","6077","0.6","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl N Pd -","- C37 H32 Cl N Pd -","- C296 H256 Cl8 N8 Pd8 -","8","1","HU1095","Tomita, K.; Caires, A.C.; Luccaneto, V.A.De.; Mauro, A.E.","Structure of a cyclopalladated complex, [PdCl(C~37~H~32~N)]","Acta Crystallographica Section C","1994","50","12","1872","1873","10.1107/S0108270194006475","","","0.71069","MoKα","","","0.052","","","0.041","","","","","3.62","3.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010309","8.151","0.001","10.648","0.001","18.33","0.002","90","","90","","90","","1590.9","0.3","83","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","LI1083","Zukerman-Schpector, J.","6-Methyl-2-oxabicyclo[4.3.0]non-4-en-3,7-dione, C~9~H~10~O~3~","Acta Crystallographica Section C","1994","50","12","2076","2077","10.1107/S0108270194000697","","","0.71073","MoKα","","","0.038","","","0.039","","","","","1.42","1.42","","","","","has coordinates","191060","2020-10-21","18:00:00",""
"2010336","6.596","0.004","10.774","0.004","14.09","0.01","90","","90","","90","","1001.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C Eu F3 Na2 O3 -","- C Eu F3 Na2 O3 -","- C8 Eu8 F24 Na16 O24 -","8","1","","Mercier, Nicolas; Leblanc, Marc","A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","12","1864","1865","10.1107/s010827019400733x","","","","","","","0.0177","","","0.0451","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2010389","11.979","0.002","12.773","0.002","37.264","0.006","90","","90","","90","","5701.7","1.6","173","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Cl Si3 Zr -","- C24 H39 Cl Si3 Zr -","- C192 H312 Cl8 Si24 Zr8 -","8","1","MU1105","Lukens, Wayne","Chlorotris(trimethylsilylcyclopentadienyl)zirconium","Acta Crystallographica Section C","1995","51","1","10","12","10.1107/S0108270194007547","","","0.71073","MoKα","","","0.0467","","","0.0585","","","","","1.999","1.999","","","","","has coordinates,has disorder","200180","2020-10-21","18:00:00",""
"2010392","19.142","0.008","20.759","0.004","23.645","0.01","90","","90","","90","","9396","6","293","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C104 H88 Au2 Cl6 Fe3 P6 -","- C104 H88 Au2 Cl6 Fe3 P6 -","- C416 H352 Au8 Cl24 Fe12 P24 -","4","0.5","MU1114","Houlton, A.; Mingos, D.M.P.; Murphy, D.M.; Williams, D.J.","[Au~2~Cl~2~(fdpp)~3~], a Structural Intermediate in the Assembly of Gold‒Phosphine Chain Polymers","Acta Crystallographica Section C","1995","51","1","30","32","10.1107/S0108270194005962","","","0.71073","MoKα","","","0.0496","","","0.0438","","","","","1.16","1.16","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010410","8.989","0.003","9.6878","0.0011","41.67","0.004","90","","90","","90","","3628.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C176 H168 N24 O8 -","8","1","","Olszewski, Piotr K.; Stadnicka, Katarzyna","Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System","Acta Crystallographica Section C","1995","51","","98","103","","","","","","","","0.0432","","","0.0852","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010465","12.176","0.004","20.336","0.003","27.728","0.007","90","","90","","90","","6866","3","298","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H34 O3 P2 S W -","- C38 H34 O3 P2 S W -","- C304 H272 O24 P16 S8 W8 -","8","1","HR1013","Wang, H.-E.; Cheng, M.-C.; Peng, S.-M.; Liu, S.-T.","{2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-<i>P</i>,<i>P</i>',<i>S</i>}tricarbonyltungsten(0)","Acta Crystallographica Section C","1995","51","2","198","200","10.1107/S0108270194007882","","","0.7107","MoKα","","","0.024","","","0.017","","","","","1.5","1.5","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010466","11.453","0.002","12.119","0.002","17.444","0.004","90","","90","","90","","2421.2","0.8","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cd N2 O5 -","- C12 H10 Cd N2 O5 -","- C96 H80 Cd8 N16 O40 -","8","1","","Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.","The Polymeric Structure of Aquacadmium Bisnicotinate","Acta Crystallographica Section C","1995","51","","234","235","","","","","","","","0.0207","","","0.0531","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2010500","18.688","0.009","11.428","0.006","15.797","0.008","90","","90","","90","","3374","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","1","TA1011","Campi, Eva M.; Fallon, Gary D.; Holmes, Andrea; Perlmutter, Patrick; Teo, Chin C.","cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","279","280","10.1107/S0108270194008838","","","1.5418","CuKα","","0.068","0.048","","0.106","0.058","","","","","0.772","0.772","","","","","has coordinates","190653","2020-10-21","18:00:00",""
"2010516","13.864","0.001","13.339","0.001","16.464","0.001","90","","90","","90","","3044.7","0.4","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Mo N2 O4 -","- C15 H12 Mo N2 O4 -","- C120 H96 Mo8 N16 O32 -","8","1","DA1090","Nanty, Dominique; Laurent, Marc; Khan, Masood A.; Ashby, Michael T.","<i>fac</i>-Tricarbonyl[bis(2-pyridylmethyl) ether-<i>N</i>,<i>O</i>,<i>N</i>']molybdenum(0)","Acta Crystallographica Section C","2000","56","1","35","36","10.1107/S0108270199012123","","","0.71073","MoKα","","0.0342","0.0243","","0.0681","","0.0606","","","1.067","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010525","16.532","0.003","13.868","0.002","10.182","0.004","90","","90","","90","","2334.4","1.1","296","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N O2 Pt S -","- C6 H13 Cl2 N O2 Pt S -","- C48 H104 Cl16 N8 O16 Pt8 S8 -","8","1","FR1238","Dyksterhouse, R. Max; Howell, Bob A.; Squattrito, Philip J.","<i>cis</i>- and <i>trans</i>-Dichloro(3,6-dihydro-1,2-oxazine-<i>N</i>)(dimethyl sulfoxide-<i>S</i>)-platinum(II)","Acta Crystallographica Section C","2000","56","1","64","66","10.1107/S0108270199013803","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.71","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010564","7.9739","0.0001","14.1721","0.0002","20.3772","0.0002","90","","90","","90","","2302.76","0.05","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","Bis(2-Bromobenzaldehyde S-methyl dithiocabazate)Pt(II)","","- C18 H16 Br2 N4 Pt S4 -","- C18 H16 Br2 N4 Pt S4 -","- C72 H64 Br8 N16 Pt4 S16 -","4","0.5","QA0193","Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhu, Xu-Hui; Xu, Yan; Chen, Xiao-Feng; You, Xiao-Zeng","Bis[<i>S</i>-methyl 3-(2-bromobenzylidene)dithiocabazato-<i>N</i>^3^,<i>S</i>]platinum(II)","Acta Crystallographica Section C","2000","56","1","e6","e7","10.1107/S010827019901611X","","","0.71073","MoKα","","0.044","0.03","","","","0.084","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010625","9.709","0.002","13.748","0.002","7.128","0.001","90","","90","","90","","951.4","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mercury(II) polyphosphate","","- Hg O6 P2 -","- Hg O6 P2 -","- Hg8 O48 P16 -","8","1","GS1057","Weil, Matthias; Glaum, Robert","Mercury(II) polyphosphate, Hg(PO~3~)~2~","Acta Crystallographica Section C","2000","56","2","133","135","10.1107/S0108270199014067","","","0.71073","MoKα","","0.039","0.034","","","","0.093","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010675","10.0818","0.0003","16.122","0.0007","13.7747","0.0006","90","","90","","90","","2238.92","0.15","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-aminoethoxybis(2-thienyl)boron","","- C10 H12 B N O S2 -","- C10 H12 B N O S2 -","- C80 H96 B8 N8 O8 S16 -","8","1","QB0168","Low, John Nicolson; Musgrave, Oliver, C.; Wardell, James, L.","(2-Aminoethoxy)bis(2-thienyl)boron","Acta Crystallographica Section C","2000","56","2","e63","e63","10.1107/S0108270100000482","","","0.71073","MoKα","","0.074","0.046","","","","0.122","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010678","7.199","0.001","12.896","0.001","25.077","0.003","90","","90","","90","","2328.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1:1 Complex of 4-Nitrophenol and 4-Methyl-Pyridine","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","QB0172","Jin, Zhi Min; Pan, Yuan Jiang; Xu, Duan Jun; Xu, Yuan Zhi","The 1:1 complex of 4-nitrophenol and 4-methylpyridine","Acta Crystallographica Section C","2000","56","2","e69","e70","10.1107/S0108270100001074","","","0.71073","MoKα","","0.118","0.037","","","","0.077","","","","","","0.81","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010709","6.0039","0.0009","10.5565","0.0014","22.151","0.002","90","","90","","90","","1403.9","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","FG1572","Wong, Jesse K.; Macalintal, Rose Ann R.; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.","7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid and (±)-7-oxobicyclo[2.2.1]hept-5-ene-2-<i>endo</i>-carboxylic acid: hydrogen bonding in two norbornyl keto acids","Acta Crystallographica Section C","2000","56","3","371","373","10.1107/S0108270199015747","","","0.71073","MoKα","","0.082","0.048","","","","0.136","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010768","8.752","0.002","10.525","0.005","20.619","0.005","90","","90","","90","","1899.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2H)-one","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","SK1336","Novoa de Armas, Héctor; Blaton, Norbert M.; Peeters, Oswald M.; De Ranter, Camiel J.; Pita, Beatriz; Sotelo, Eddy; Ravinã, Enrique; Suárez, Margarita","5-Amino-6-phenyl-1,6-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section C","2000","56","3","345","346","10.1107/S0108270199015231","","","1.54178","CuKα","","0.043","0.038","","","","0.104","","","1.1","","","1.1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010772","17.7759","0.0003","9.0661","0.0002","23.5939","0.0003","90","","90","","90","","3802.35","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-benzyl-2'-iodocinnamanilide","","- C22 H18 I N O -","- C22 H18 I N O -","- C176 H144 I8 N8 O8 -","8","1","SK1348","Renganayaki, S.; Subramanian, E.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","<i>N</i>-Benzyl-2'-iodocinnamanilide and <i>N</i>-benzyl-2'-iodo-4'-methyl-2-phenylcinnamanilide","Acta Crystallographica Section C","2000","56","3","349","350","10.1107/S0108270199015243","","","0.71073","MoKα","","0.127","0.059","","","","0.095","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010870","21.4651","0.0012","13.3773","0.0008","23.3868","0.0014","90","","90","","90","","6715.4","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H19 F20 Ga N2 -","- C32 H19 F20 Ga N2 -","- C256 H152 F160 Ga8 N16 -","8","1","QB0173","Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.","Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate","Acta Crystallographica Section C","2000","56","4","e134","e135","10.1107/S0108270100003899","","","0.71073","MoKα","","0.114","0.045","","","","0.075","","","","","","1.014","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010936","10.88","0.002","16.458","0.002","21.261","0.002","90","","90","","90","","3807.1","0.9","248","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyclohex-1-enecarbothioic acid benzyl-(4-methoxy-phenyl)-amide","","- C21 H23 N O S -","- C21 H23 N O S -","- C168 H184 N8 O8 S8 -","8","1","QA0251","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","<i>N</i>-Benzyl-<i>N</i>-(4-methoxyphenyl)cyclohex-1-enecarbothioamide","Acta Crystallographica Section C","2000","56","5","e221","e221","10.1107/S0108270100004467","","","1.54184","CuKα","","","0.062","","","","0.168","","","","","","1.24","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010938","17.671","0.006","21.635","0.007","12.565","0.004","90","","90","","90","","4804","3","297","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O3 V -","- C28 H22 N2 O3 V -","- C224 H176 N16 O24 V8 -","8","1","QA0255","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","The <i>exo</i> and <i>endo</i> isomers of [<i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-diphenyl-(<i>RS</i>,<i>SR</i>)-1,2-ethanediyldiaminato]oxovanadium(IV)","Acta Crystallographica Section C","2000","56","5","e188","e189","10.1107/S0108270100004509","","","0.71073","MoKα","","","0.055","","","","0.193","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010941","21.957","0.004","20.518","0.002","7.522","0.001","90","","90","","90","","3388.8","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N'-(4-(1,1-dimethylpropyl)-benzylidene)-2-pyridinecarboxamidrazone","","- C18 H22 N4 -","- C18 H22 N4 -","- C144 H176 N32 -","8","1","QA0258","Billington, David C.; Lowe, Philip R.; Rathbone, Daniel L.; Schwalbe, Carl H.","A new amidrazone derivative with antimycobacterial activity","Acta Crystallographica Section C","2000","56","5","e211","e212","10.1107/S0108270100004807","","","1.5418","CuKα","","0.153","0.072","","","","0.231","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011012","16.8803","0.0005","16.1855","0.0004","19.3262","0.0006","90","","90","","90","","5280.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,13-(1',10'-Decandioxy)hexahelicen","","- C36 H34 O2 -","- C36 H34 O2 -","- C288 H272 O16 -","8","1","JZ1383","Meier, Herbert; Schwertel, Manfred; Schollmeyer, Dieter","Two strained hexahelicenophanes","Acta Crystallographica Section C","2000","56","6","684","686","10.1107/S0108270100003140","","","1.54178","CuKα","","0.0709","0.0571","","0.1664","","0.1557","","","","","","1.047","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011026","7.136","0.003","23.71","0.003","25.964","0.004","90","","90","","90","","4393","2","298","1","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","propane-1,3-diammonium bis[(E)-3-(3-nitrophenyl)propenoate]","","- C21 H24 N4 O8 -","- C21 H24 N4 O8 -","- C168 H192 N32 O64 -","8","1","QA0234","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","1,3-Propanediammonium bis(3'-nitro-<i>trans</i>-cinnamate) and <i>trans</i>-1,2-cyclohexanediammonium bis(3'-nitro-<i>trans</i>-cinnamate)","Acta Crystallographica Section C","2000","56","6","e260","e261","10.1107/S0108270100006120","","","0.71073","MoKα","","","0.056","","","","0.167","","","","","","1.03","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011050","10.6397","0.0006","8.2558","0.0005","13.0057","0.0007","90","","90","","90","","1142.41","0.11","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 O3 -","- C4 Cl2 O3 -","- C32 Cl16 O24 -","8","1","QA0304","Blake, Alexander J.; Griffiths, Rhiannon M. T.; Howdle, Steven M.; Wilson, Claire","Dichloromaleic anhydride","Acta Crystallographica Section C","2000","56","6","e273","e273","10.1107/S0108270100007034","","","0.71073","MoKα","","0.026","0.023","","","","0.067","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011065","10.24","0.0003","9.7505","0.0002","15.031","0.0004","90","","90","","90","","1500.77","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","SK1369","Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun","1,4-Bis(2-benzimidazolyl)benzene","Acta Crystallographica Section C","2000","56","6","718","719","10.1107/S0108270100003978","","","0.71073","MoKα","","0.111","0.0667","","","","0.1551","","","","","","1.117","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011092","8.0547","0.0011","17.378","0.002","17.919","0.003","90","","90","","90","","2508.2","0.6","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,7-Dihydrodibenz[e,g]azulen-8(5H)-one","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.059","0.036","","","","0.105","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011093","11.8466","0.0012","12.489","0.0015","20.703","0.002","90","","90","","90","","3063.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12,13-Dihydrobenzo[e]napth[2,1-g]azulen-14(11H)-one","","- C22 H16 O -","- C22 H16 O -","- C176 H128 O8 -","8","1","DE1128","Ajees, A. Abdul; Ponnuswamy, M. N.; Parthasarathy, S.; Huq, C. A. M. A.","6,7-Dihydrodibenzo[<i>e</i>,<i>g</i>]azulen-8(5<i>H</i>)-one and 12,13-dihydrobenzo[<i>e</i>]napth[2,1-<i>g</i>]azulen-14(11<i>H</i>)-one","Acta Crystallographica Section C","2000","56","7","824","826","10.1107/S0108270100003954","","","1.54184","CuKα","","0.058","0.037","","","","0.11","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011104","12.634","0.003","12.832","0.003","19.406","0.004","90","","90","","90","","3146.1","1.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-oxo-bis{oxo{2,2'-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato} rhenium(V)}","","- C34 H32 N4 O7 Re2 -","- C34 H32 N4 O7 Re2 -","- C136 H128 N16 O28 Re8 -","4","0.5","FG1587","Kooijman, Huub; Bommel, Kjeld J. C. van; Verboom, Willem; Reinhoudt, David N.; Kroon, Jan; Spek, Anthony L.","Polymorphs and pseudo-polymorphs of μ-oxo-bis{[<i>N</i>,<i>N</i>'-bis(salicylidene)propane-1,3-diamine]oxorhenium(V)}","Acta Crystallographica Section C","2000","56","7","749","757","10.1107/S0108270100004108","","","0.71073","MoKα","","0.054","0.048","","","","0.112","","","","","","1.217","","","","has coordinates,has disorder,has Fobs","200213","2020-10-21","18:00:00",""
"2011121","11.3705","0.0002","9.7132","0.0002","19.0382","0.0003","90","","90","","90","","2102.65","0.07","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-(2-methylbenzyl)malonic acid","","","- C11 H12 O4 -","- C11 H12 O4 -","- C88 H96 O32 -","8","1","FR1275","Gerkin, Roger E.","Hydrogen bonds and C—H···O interactions in 2-(2-methylbenzyl)malonic acid at 150K","Acta Crystallographica Section C","2000","56","7","853","854","10.1107/S0108270100006235","","","0.71073","MoKα","","","0.048","","","","0.085","","","","","","1.97","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011178","16.4027","0.0006","8.76805","0.00019","19.5576","0.0004","90","","90","","90","","2812.77","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 La O10 -","- C10 H17 La O10 -","- C80 H136 La8 O80 -","8","1","SK1364","Benmerad, Belkacem; Guehria-Laidoudi, Achoura; Balegroune, Fadila; Birkedal, Henrik; Chapuis, Gervais","Polymeric aqua(glutarato)(hydrogen glutarato)lanthanum(III) monohydrate","Acta Crystallographica Section C","2000","56","7","789","792","10.1107/S010827010000500X","","","0.71073","MoKα","","0.0326","0.028","","","","0.0494","","","","","","1.188","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011190","10.413","0.002","7.599","0.0015","36.01","0.007","90","","90","","90","","2849.4","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[(E,2E)-3-(4-methoxyphenyl)-2-propenylidene]-4-nitroaniline","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C128 H112 N16 O24 -","8","1","BM1393","Vladimir N. Nesterov; Tatiana V. Timofeeva; Oleg Ya. Borbulevych; Mikhail Yu. Antipin; Ronald D. Clark","A combinatorial chemistry approach to new materials for non-linear optics. I. Five Schiff bases","Acta Crystallographica Section C","2000","56","8","971","975","10.1107/S0108270100002845","","","0.71073","MoKα","","0.1622","0.0502","","0.2785","","0.1063","","","1.015","","","1.159","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011195","10.04","0.006","7.733","0.003","25.62","0.013","90","","90","","90","","1989.1","1.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4-dimethylaminocinnamaldehyde","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","BM1394","Nesterov, Vladimir N.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Clark, Ronald D.","A combinatorial chemistry approach to new materials for nonlinear optics. II. 4,4-Dimethylaminocinnamaldehyde and a molecular complex of 4-methoxycinnamaldehyde with 2,4-dinitroaniline","Acta Crystallographica Section C","2000","56","8","976","978","10.1107/S0108270100006351","","","0.71073","MoKα","","0.173","0.123","","","","0.257","","","","","","1.141","","","","has coordinates,has Fobs","277836","2022-09-14","17:02:02",""
"2011296","7.9476","0.0002","11.5546","0.0003","29.4257","0.0008","90","","90","","90","","2702.2","0.12","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4'-Vinyl-2,2':6',2''-terpyridine","","- C17 H13 N3 -","- C17 H13 N3 -","- C136 H104 N24 -","8","1","BM1415","Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.","4'-Vinyl-2,2':6',2''-terpyridine","Acta Crystallographica Section C","2000","56","9","1142","1143","10.1107/S0108270100008295","","","0.71073","MoKα","","0.0747","0.0521","","","","0.147","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011301","15.774","0.003","11.739","0.002","18.239","0.004","90","","90","","90","","3377.3","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","di[tri(ethylenediamino)ferro] antimony selenide","","- C12 H48 Fe2 N12 Sb2 Se5 -","- C12 H48 Fe2 N12 Sb2 Se5 -","- C48 H192 Fe8 N48 Sb8 Se20 -","4","0.5","DA1117","Chen, Zhen; Wang, Ru-Ji; Xiao-Ying Huang; Li, Jing","Molecular building blocks for solid-state chalcogenides: solvothermal synthesis of [Mn(en)~3~]Te~4~ and [Fe(en)~3~]~2~(Sb~2~Se~5~)","Acta Crystallographica Section C","2000","56","9","1100","1103","10.1107/S0108270100006879","","","0.71073","MoKα","","0.182","0.0823","","","","0.1711","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011400","11.47","0.003","9.966","0.006","16.023","0.001","90","","90","","90","","1831.6","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Arginine","DL-2-amino-5-guanidovaleric acid","","- C6 H16 N4 O3 -","- C6 H16 N4 O3 -","- C48 H128 N32 O24 -","8","1","BM1417","Kingsford-Adaboh, Robert; Grosche, Manja; Dittrich, Birger; Luger, Peter","<small>DL</small>-Arginine monohydrate at 100K","Acta Crystallographica Section C","2000","56","10","1274","1276","10.1107/S0108270100010325","","","0.71073","MoKα","","0.0346","0.0344","","","","0.0796","","","","","","1.121","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011436","9.9313","0.0018","10.3818","0.0014","23.253","0.002","90","","90","","90","","2397.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","","- C13 H16 O4 -","- C13 H16 O4 -","- C104 H128 O32 -","8","1","QA0324","SethuSankar, K.; Banumathi, S.; Krishna, R.; Velmurugan, D.","2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)","Acta Crystallographica Section C","2000","56","10","e479","e480","10.1107/S0108270100012117","","","1.54184","CuKα","","0.055","0.044","","","","0.176","","","","","","1.311","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011450","8.8218","0.0005","9.8252","0.0006","10.1163","0.0006","90","","90","","90","","876.8","0.2","298","","298","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mansfieldite","- Al As H4 O6 -","- Al As H4 O6 -","- Al8 As8 H32 O48 -","8","1","","Harrison, William T. A.","Synthetic mansfieldite, AlAsO~4~.2H~2~O","Acta Crystallographica, Section C","2000","56","","e421","e421","10.1107/S0108270100011690","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2011473","5.862","0.0019","12.3986","0.0016","26.854","0.003","90","","90","","90","","1951.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium α-hydronitrilotriacetate dihydrate","","- C6 H12 N Na O8 -","- C6 H12 N Na O8 -","- C48 H96 N8 Na8 O64 -","8","1","QD0035","Kang, Jun-Gill; Hong, Jung-Pyo; Kang, Sung Kwon","Sodium hydrogen nitrilotriacetate dihydrate","Acta Crystallographica Section C","2000","56","10","e432","e433","10.1107/S0108270100012014","","","0.71073","MoKα","","0.056","0.038","","","","0.109","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011478","24.902","0.006","15.109","0.006","6.674","0.002","90","","90","","90","","2511.1","1.4","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","SK1403","Basu Baul, T. S.; Dhar, S.; Tiekink, E. R. T.","2-Hydroxy-5-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]benzoic acid","Acta Crystallographica Section C","2000","56","10","1280","1281","10.1107/S0108270100010118","","","0.71073","MoKα","","","0.034","","","","0.033","","","","","","1.65","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011588","12.2978","0.0002","10.9183","0.0002","30.59","0.0005","90","","90","","90","","4107.35","0.12","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H20 B10 Co2 O5 S2 -","- C9 H20 B10 Co2 O5 S2 -","- C72 H160 B80 Co16 O40 S16 -","8","1","BJ1001","Londesborough, Michael G.S.; Bould, Jonathan; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Štíbr, Bohumil","[1,1,2,2-(CO)~4~-1,2-μ-(CO)-4,11-(SMe~2~)~2~-<i>closo</i>-1,2-Co~2~B~10~H~8~]","Acta Crystallographica Section C","2000","56","12","1423","1424","10.1107/S0108270100012282","","","0.71073","MoKα","","0.0517","0.0316","","","","0.0613","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011624","11.735","0.001","9.775","0.001","20.695","0.002","90","","90","","90","","2373.9","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(1,3-Dithian-2-yl)-2-phenylethanone","","- C12 H14 O S2 -","- C12 H14 O S2 -","- C96 H112 O8 S16 -","8","1","QA0403","Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa","1-(1,3-Dithian-2-yl)-2-phenylethanone","Acta Crystallographica Section C","2000","56","12","e567","e568","10.1107/S0108270100014785","","","0.71073","MoKα","","0.036","0.03","","","","0.08","","","","","","1.094","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011632","15.1607","0.0007","12.786","0.0009","23.316","0.001","90","","90","","90","","4519.7","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H52 Cu2 F12 N10 O2 P2 -","- C30 H52 Cu2 F12 N10 O2 P2 -","- C120 H208 Cu8 F48 N40 O8 P8 -","4","0.5","QA0421","Kim, Jun Hwan; Roh, Soo-Gyun; Jeong, Jong Hwa","Di-μ-methoxo-bis({<i>N</i>,<i>N</i>'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ^3^<i>N</i>}copper(II)) bis(hexafluorophosphate)","Acta Crystallographica Section C","2000","56","12","e543","e544","10.1107/S0108270100014815","","","0.71073","MoKα","","0.149","0.069","","","","0.189","","","","","","1.38","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011688","20.013","0.006","13.456","0.003","11.424","0.003","90","","90","","90","","3076.4","1.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Dimethylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate","","- C11 H17 N5 O2 S2 -","- C11 H17 N5 O2 S2 -","- C88 H136 N40 O16 S16 -","8","1","BR1303","Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik","Metabolic pathways of dithiocarbamates from laboratory powder diffraction data","Acta Crystallographica Section C","2001","57","1","72","75","10.1107/S0108270100013457","","","1.54059","CuKα","","","","","","","","","","3.22","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011705","11.088","0.002","6.884","0.001","21.976","0.004","90","","90","","90","","1677.4","0.5","293","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-phenyl-4-nitroimidazole","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C72 H56 N24 O16 -","8","1","DE1151","Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł","Two 1-substituted 4-nitroimidazoles","Acta Crystallographica Section C","2001","57","1","106","108","10.1107/S0108270100014852","","","0.71073","MoKα","","0.0504","0.0349","","","","0.0957","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011731","17.258","0.004","17.614","0.004","6.925","0.002","90","","90","","90","","2105.1","0.9","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Ba Cl2 O7 -","- C6 H6 Ba Cl2 O7 -","- C48 H48 Ba8 Cl16 O56 -","8","1","OA1107","Kashino, Setsuo; Ishida, Hiroyuki; Fukunaga, Takeo; Oishi, Shuji","A new polymorph of barium chloroanilate trihydrate","Acta Crystallographica Section C","2001","57","1","18","19","10.1107/S0108270100013639","","","0.71073","MoKα","","0.071","0.06","","0.067","","0.065","","","1.608","","","1.67","","","","has coordinates,has Fobs","189185","2020-10-21","18:00:00",""
"2011744","14.815","0.004","16.226","0.005","17.67","0.005","90","","90","","90","","4248","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C24 H23 O3 P -","- C24 H23 O3 P -","- C192 H184 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.138","0.058","","","","0.124","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011745","14.932","0.007","16.343","0.006","17.78","0.007","90","","90","","90","","4339","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","i-Propyl 3-oxo-2-(triphenylphosphoranylidene)butyrate","","- C25 H25 O3 P -","- C25 H25 O3 P -","- C200 H200 O24 P8 -","8","1","BK1566","Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.","Methyl, ethyl, isopropyl and <i>tert</i>-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation","Acta Crystallographica Section C","2001","57","2","180","184","10.1107/S0108270100016012","","","0.71073","MoKα","","0.195","0.089","","","","0.16","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011790","26.12","0.005","18.473","0.004","10.379","0.003","90","","90","","90","","5008","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C.I. Solvent Yellow 4","4-(phenyldiazenyl)naphthalen-1-amine","","- C16 H13 N3 -","- C16 H13 N3 -","- C256 H208 N48 -","16","2","BR1305","Yatsenko, A. V.; Chernyshev, V. V.; Paseshnichenko, K. A.; Schenk, H.","4-(Phenyldiazenyl)naphthalen-1-amine and its hydrochloride","Acta Crystallographica Section C","2001","57","3","295","297","10.1107/S0108270100018692","","","0.71073","MoKα","","0.105","0.053","","","","0.118","","","","","","1.282","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011809","10.752","0.001","7.893","0.001","27.391","0.003","90","","90","","90","","2324.6","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 Cu F2 N2 O2 -","- C28 H22 Cu F2 N2 O2 -","- C112 H88 Cu4 F8 N8 O8 -","4","0.5","GG1032","Burgess, John; Fawcett, John; Palma, Vitor; Gilani, Syeda R.","Fluoro derivatives of bis(salicylideneaminato-<i>N</i>,<i>O</i>)copper(II) and -oxovanadium(IV)","Acta Crystallographica Section C","2001","57","3","277","280","10.1107/S0108270100020059","","","0.71073","MoKα","","0.069","0.043","","","","0.121","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011837","13.4239","0.0011","7.2198","0.0005","25.441","0.003","90","","90","","90","","2465.7","0.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Phenylfuro[3,2-c]chromen-4-one","","- C17 H10 O3 -","- C17 H10 O3 -","- C136 H80 O24 -","8","1","AV1062","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni; Bilardo, Cristina","3-Phenyl-4<i>H</i>-furo[3,2-<i>c</i>]chromen-4-one","Acta Crystallographica Section C","2001","57","4","493","494","10.1107/S0108270101001433","","","0.71073","MoKα","","0.111","0.052","","","","0.123","","","","","","0.98","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011845","9.8818","0.0017","27.375","0.006","9.811","0.0012","90","","90","","90","","2654","0.8","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(1-Acetoxyethylidene)fluorene","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BJ1021","Robinson, Paul D.; Lutfi, Hisham G.; Hou, Yuqing; Meyers, Cal Y.","9-(1-Acetoxyethylidene)fluorene (`diacetylfluorene'), a by-product from the acetylation of 9-fluorenyllithium","Acta Crystallographica Section C","2001","57","4","428","430","10.1107/S0108270100020539","","","0.71069","MoKα","","0.143","0.041","","","","0.115","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011886","8.6469","0.0005","17.8651","0.0008","28.7434","0.0015","90","","90","","90","","4440.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido)bis(2,2'-bipyridine)copper(II) tetrafluoroborate","","- C22 H16 B Cu F4 N7 -","- C22 H16 B Cu F4 N7 -","- C176 H128 B8 Cu8 F32 N56 -","8","1","JZ1434","Potočňák, Ivan; Dunaj-Jurčo, Michal; Mikloš, Dušan; Massa, Werner; Jäger, Lothar","Bis(2,2'-bipyridine)(dicyanamido)copper(II) tetrafluoroborate","Acta Crystallographica Section C","2001","57","4","363","365","10.1107/S0108270100020503","","","0.71073","MoKα","","0.087","0.045","","","","0.141","","","","","","0.865","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011905","11.459","0.002","9.7078","0.0011","13.468","0.004","90","","90","","90","","1498.2","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-N:N']","","- C6 H8 Br Cu N2 -","- C6 H8 Br Cu N2 -","- C48 H64 Br8 Cu8 N16 -","8","1","SK1444","Näther, Christian; Greve, Jan","Poly[copper(I)-μ-bromo-μ-2,3-dimethylpyrazine-<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2001","57","4","377","378","10.1107/S0108270101000051","","","0.71073","MoKα","","0.057","0.032","","","","0.085","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011914","10.4286","0.0005","12.1213","0.0012","14.6271","0.0018","90","","90","","90","","1849","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethylglycinium trifluoroacetate","1-Carboxy-N,N-dimethylmethanaminium trifluoroacetate","","- C6 H10 F3 N O4 -","- C6 H10 F3 N O4 -","- C48 H80 F24 N8 O32 -","8","1","SK1450","Rodrigues, V. H.; Paixão, J. A.; Costa, M. M. R. R.; Matos Beja, A.","Conformation of cationic <i>N</i>,<i>N</i>-dimethylglycine in dimethylglycinium trifluoroacetate","Acta Crystallographica Section C","2001","57","4","417","420","10.1107/S0108270101000087","","","0.71073","MoKα","","0.052","0.037","","","","0.105","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011954","12.313","0.002","10.674","0.005","19.535","0.002","90","","90","","90","","2567.5","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C112 H144 O16 S8 -","8","1","DA1168","Parvez, Masood; Senthil, Govindaraji; Yadav, Veejendra K.","7-Phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol stereoisomers","Acta Crystallographica Section C","2001","57","5","577","579","10.1107/S0108270101001573","","","1.54178","CuKα","","0.081","0.052","","","","0.15","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011981","16.116","0.0001","12.8286","0.0002","17.593","0.0003","90","","90","","90","","3637.28","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diphenyldithiophosphinato-tetracarbonylrhenium(I)","","- C16 H10 O4 P Re S2 -","- C16 H10 O4 P Re S2 -","- C128 H80 O32 P8 Re8 S16 -","8","1","JZ1448","García Fontán, Soledad; Lamas Castro, Elvira; Rodríguez Seoane, Pilar; Vázquez-López, Ezequiel M.","Tetracarbonyl(diphenyldithiophosphinato-<i>S</i>,<i>S</i>')rhenium(I)","Acta Crystallographica Section C","2001","57","5","532","533","10.1107/S0108270101002190","","","0.71073","MoKα","","0.0592","0.0412","","","","0.0976","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012038","9.37","0.0004","13.033","0.0005","17.521","0.0006","90","","90","","90","","2139.65","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Biphenylylurea","4-Biphenylylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","1","JZ1458","George, Sumod; Nangia, Ashwini; Lynch, Vincent M.","<i>N</i>-(4-Biphenylyl)urea","Acta Crystallographica Section C","2001","57","6","777","778","10.1107/S0108270101005807","","","0.71073","MoKα","","0.0543","0.0404","","0.1044","","0.0965","","","1.015","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012069","10.6601","0.0005","10.5515","0.0005","14.5604","0.0006","90","","90","","90","","1637.75","0.13","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,1'-bis(nido-decaboranyl)","","- B20 H26 -","- B20 H26 -","- B80 H104 -","4","0.5","BR1315","Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat","Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(<i>nido</i>-decaboranyl)","Acta Crystallographica Section C","2001","57","7","779","780","10.1107/S0108270101003407","","","0.689","synchrotron","","0.0781","0.0558","","","","0.1503","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012074","13.318","0.001","15.217","0.002","17.965","0.001","90","","90","","90","","3640.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","azaadamantanone","2,9-Bis(3-nitrophenyl)-1-azatricyclo[3.3.1.1^3,7^]decan-4-one","","- C21 H19 N3 O5 -","- C21 H19 N3 O5 -","- C168 H152 N24 O40 -","8","1","DA1181","Jiménez-Cruz, Federico; Cetina-Rosado, Raúl; Hernández-Ortega, Simón; Alfredo Toscano, Rubén; Ríos-Olivares, Héctor","2,9-Bis(3-nitrophenyl)-1-azaadamantan-4-one","Acta Crystallographica Section C","2001","57","7","868","869","10.1107/S0108270101007612","","","0.71073","MoKα","","0.098","0.058","","","","0.133","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012094","17.9382","0.0014","10.7801","0.0008","6.6879","0.0006","90","","90","","90","","1293.28","0.18","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium dithiocyanatoargentate","Potassium [silver(I)-di-μ-thiocyanato-S:S]","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","IZ1011","Krautscheid, Harald; Gerber, Stefan","Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]","Acta Crystallographica Section C","2001","57","7","781","783","10.1107/S0108270101005650","","","0.71069","MoKα","","0.023","0.02","","","","0.046","","","","","","1.131","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012107","20.1931","0.0005","20.2156","0.0004","23.199","0.0004","90","","90","","90","","9470.2","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorotris(N,N'-dicyclohexylthiorea-S)tellurium(II) chloride","","- C39 H72 Cl2 N6 S3 Te -","- C39 H72 Cl2 N6 S3 Te -","- C312 H576 Cl16 N48 S24 Te8 -","8","1","SK1475","Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu","Chlorotris(<i>N</i>,<i>N</i>'-dicyclohexylthiourea-<i>S</i>)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere","Acta Crystallographica Section C","2001","57","7","854","856","10.1107/S010827010100659X","","","0.71073","MoKα","","0.076","0.03","","","","0.066","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012124","22.466","0.008","24.859","0.009","6.906","0.003","90","","90","","90","","3857","3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(4-Nitrophenyl)-phenylamino]-5H-pyrido[3,2-b]indole-3-carbonitrile","","- C24 H15 N5 O2 -","- C24 H15 N5 O2 -","- C192 H120 N40 O16 -","8","1","BR1336","Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik","Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1<i>H</i>-pyrido[3,2-<i>b</i>]indole-3-carbonitrile discovered by laboratory powder data","Acta Crystallographica Section C","2001","57","8","982","984","10.1107/S0108270101008356","","","1.54059","CuKα~1~","","","","","","","","","","2.72","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012160","7.4215","0.0005","12.6755","0.0009","16.4638","0.0011","90","","90","","90","","1548.77","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-4-nitroaniline","","- C6 H5 I N2 O2 -","- C6 H5 I N2 O2 -","- C48 H40 I8 N16 O16 -","8","1","SK1480","McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher","Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π‒π-stacking interactions","Acta Crystallographica Section C","2001","57","8","942","945","10.1107/S0108270101007053","","","0.71073","MoKα","","0.1376","0.0631","","","","0.1798","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012163","7.736","0.0002","10.2394","0.0004","29.7822","0.0011","90","","90","","90","","2359.11","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Piperazinium(2+) bis(mandelate) bis(methanol) solvate","","- C22 H34 N2 O8 -","- C22 H34 N2 O8 -","- C88 H136 N8 O32 -","4","0.5","SK1483","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Hydrogen-bonded bilayers in piperazinium(2+) bis(mandelate) bis(methanol) solvate","Acta Crystallographica Section C","2001","57","8","955","957","10.1107/S0108270101007922","","","0.71073","MoKα","","0.127","0.048","","","","0.133","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012203","10.281","0.002","17.244","0.003","26.382","0.005","90","","90","","90","","4677.1","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-dichlorobis(diphenylsulfide)platinum(II)","","- C24 H20 Cl2 Pt S2 -","- C24 H20 Cl2 Pt S2 -","- C192 H160 Cl16 Pt8 S16 -","8","1","GD1157","Johansson, Maria H.; Oskarsson, Åke; Lövqvist, Karin; Kiriakidou, Fotini; Kapoor, Pramesh","<i>Cis</i>- and <i>trans</i>-influences in [PtCl~2~(SPh~2~)~2~]","Acta Crystallographica Section C","2001","57","9","1053","1055","10.1107/S010827010100960X","","","0.71073","MoKα","","0.0759","0.0454","","","","0.1061","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012244","7.8838","0.0018","14.719","0.003","21.277","0.004","90","","90","","90","","2469","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(2-phenylmethylsulfanyl)phenyl]ethanone","","- C15 H14 O S -","- C15 H14 O S -","- C120 H112 O8 S8 -","8","1","BM1449","Creed, Tim; Leardini, Rino; McNab, Hamish; Nanni, Daniele; Nicolson, Iain S.; Parkin, Andrew; Parsons, Simon","Short intramolecular S···O interactions in <i>S</i>-substituted 2-mercaptoacetophenones","Acta Crystallographica Section C","2001","57","10","1174","1176","10.1107/S0108270101008216","","","1.54178","CuKα","","0.0415","0.0328","","","","0.0868","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012268","7.2752","0.0003","10.7294","0.0004","15.4991","0.0007","90","","90","","90","","1209.84","0.09","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-5-ethyl-1,3,4-thiadiazole","","- C4 H7 N3 S -","- C4 H7 N3 S -","- C32 H56 N24 S8 -","8","1","GG1069","Lynch, Daniel E.","2-Amino-5-methyl-1,3,4-thiadiazole and 2-amino-5-ethyl-1,3,4-thiadiazole","Acta Crystallographica Section C","2001","57","10","1201","1203","10.1107/S0108270101011817","","","0.71073","MoKα","","0.048","0.036","","","","0.092","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012323","14.676","0.002","9.967","0.002","18.937","0.003","90","","90","","90","","2770","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1S*,2R*,9S*,10aR*)-9-methoxy-8-oxo-1,2,3,5,6,7,8,9,10,10a-decahydro- benzocyclooctene-1,2-dicarboxylic acid","","- C15 H20 O6 -","- C15 H20 O6 -","- C120 H160 O48 -","8","1","GG1070","Wilson, Claire; Clark, J. Stephen; Bate, Andrea L.; Blake, Alexander J.; Grinter, Trevor; Teat, Simon J.","Diels‒Alder adducts of medium-ring carbocyclic dienes prepared by rearrangement of catalytically generated cyclic oxonium ylides","Acta Crystallographica Section C","2001","57","11","1326","1329","10.1107/S0108270101013440","","","0.6892","synchrotron","","0.118","0.084","","","","0.231","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012365","14.164","0.002","12.034","0.002","27.648","0.003","90","","90","","90","","4712.6","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II)","","- C26 H22 Cd N2 S2 -","- C26 H22 Cd N2 S2 -","- C208 H176 Cd8 N16 S16 -","8","1","DA1203","Wacholtz, William F.; Mague, Joel T.","Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section C","2001","57","12","1400","1402","10.1107/S0108270101015906","","","0.71073","MoKα","","0.1275","0.035","","","0.0839","0.1023","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012519","8.059","0.001","12.116","0.001","24.744","0.002","90","","90","","90","","2416.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3-phenoxy-4-pyridyl)methanesulfonamide","","- C12 H12 N2 O3 S -","- C12 H12 N2 O3 S -","- C96 H96 N16 O24 S8 -","8","1","SK1503","Michaux, Catherine; Charlier, Caroline; Julémont, Fabien; Dogné, Jean-Michel; de Leval, Xavier; Norberg, Bernadette; Pirotte, Bernard; Durant, François","<i>N</i>-(3-Phenoxy-4-pyridinio)methanesulfonamidate","Acta Crystallographica Section C","2002","58","2","o88","o89","10.1107/S0108270101018595","","","1.54178","CuKα","","0.033","0.032","","","0.095","0.096","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012577","13.0928","0.0002","12.6946","0.0002","13.2335","0.0002","90","","90","","90","","2199.51","0.06","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(chloromethyl)phosphonium chloride monohydrate","","- C4 H10 Cl5 O P -","- C4 H10 Cl5 O P -","- C32 H80 Cl40 O8 P8 -","8","1","GG1097","Weisbarth, Ralf; Jansen, Martin","Tetrakis(chloromethyl)phosphonium chloride monohydrate","Acta Crystallographica Section C","2002","58","3","o189","o190","10.1107/S0108270102001543","","","0.71073","MoKα","","0.031","0.026","","","0.059","0.062","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012627","9.923","0.003","9.527","0.003","27.337","0.007","90","","90","","90","","2584.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-aminopyridium 2-chloro-4-nitrobenzoate","","- C12 H10 Cl N3 O4 -","- C12 H10 Cl N3 O4 -","- C96 H80 Cl8 N24 O32 -","8","1","GD1189","Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo","Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine","Acta Crystallographica Section C","2002","58","4","o242","o246","10.1107/S0108270102003657","","","0.71073","MoKα","","0.096","0.04","","","0.097","0.137","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012658","12.287","0.004","14.352","0.004","24.719","0.003","90","","90","","90","","4359","1.9","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H7 Ir3 Mo O11 -","- C17 H7 Ir3 Mo O11 -","- C136 H56 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.059","0.034","","0.0366","","0.0343","","","1.43","","","1.549","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012659","11.543","0.005","17.198","0.009","25.382","0.006","90","","90","","90","","5039","4","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 Ir3 Mo O11 -","- C20 H13 Ir3 Mo O11 -","- C160 H104 Ir24 Mo8 O88 -","8","1","TA1356","Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.","Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum","Acta Crystallographica Section C","2002","58","4","m249","m251","10.1107/S0108270101020558","","","0.7107","MoKα","","0.0748","0.0384","","0.0382","","0.0341","","","1.23","","","1.312","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2012673","5.3259","0.0002","6.272","0.0002","14.259","0.0006","90","","90","","90","","476.31","0.03","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0281","0.0238","","","0.0572","0.0589","","","","","","1.273","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012674","5.3014","0.0002","6.2319","0.0002","14.2427","0.0002","90","","90","","90","","470.55","0.02","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Copper(II) Hypophosphite","","","- Cu H4 O4 P2 -","- Cu H4 O4 P2 -","- Cu4 H16 O16 P8 -","4","0.5","AV1101","Naumov, Dmitry Yu.; Naumova, Marina I.; Kuratieva, Natalia V.; Boldyreva, Elena V.; Howard, Judith A. K.","Copper(II) hypophosphite: the α- and β-forms at 270 and 100K, and the γ-form at 270K","Acta Crystallographica Section C","2002","58","5","i55","i60","10.1107/S0108270102005176","","","0.71073","MoKα","","0.0288","0.0277","","","0.0614","0.0617","","","","","","1.288","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012690","5.3145","0.0002","10.6234","0.0005","14.7782","0.0007","90","","90","","90","","834.35","0.06","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","γ sodium gallate","","- Ga Na O2 -","- Ga Na O2 -","- Ga16 Na16 O32 -","16","2","BR1357","Villafuerte-Castrejón, María-Elena; Bucio, Lauro; Sánchez-Arjona, Angel; Duque, Julio; Pomés, Ramón","γ-Sodium gallate: a Rietveld refinement using X-ray powder diffraction","Acta Crystallographica Section C","2002","58","5","i69","i70","10.1107/S0108270102003049","","","1.54056","CuKα~1~","","","","","","","","","","1.48","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2012727","15.5374","0.0007","20.7751","0.0009","22.3924","0.001","90","","90","","90","","7228.1","0.6","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Pentachloro-1κ^3^Cl,2κ^2^Cl-tris(diethylphenylphosphino)-1κP,2κ^2^P- dirhenium(II,III)(Re—Re)","","- C30 H45 Cl5 P3 Re2 -","- C30 H45 Cl5 P3 Re2 -","- C240 H360 Cl40 P24 Re16 -","8","1","TA1365","Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.","Pentachloro-1,3,6-tris(diethylphenylphosphino)dirhenium(II,III)","Acta Crystallographica Section C","2002","58","5","m302","m303","10.1107/S0108270102005644","","","0.71073","MoKα","","0.0586","0.031","","","0.0441","0.0484","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012730","14.596","0.001","14.753","0.001","28.531","0.004","90","","90","","90","","6143.7","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 N O7 Si -","- C32 H39 N O7 Si -","- C256 H312 N8 O56 Si8 -","8","1","BK1630","Hadimani, Mallinath B.; Kessler, Raymond J.; Kautz, Jason A.; Ghatak, Anjan; Shirali, Anupama R.; O'Dell, Heather; Garner, Charles M.; Pinney, Kevin G.","2-(3-<i>tert</i>-Butyldimethylsiloxy-4-methoxyphenyl)-6-methoxy-3-(3,4,5-trimethoxybenzoyl)indole","Acta Crystallographica Section C","2002","58","6","o330","o332","10.1107/S0108270102003669","","","0.71073","MoKα","","0.0877","0.0483","","","0.0968","0.1273","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012746","9.4742","0.0008","19.287","0.001","33.032","0.002","90","","90","","90","","6035.9","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-Oxo-4,5-dihydropyrazolo[3,4-d]pyrimidine","6-methylsulfanyl-1-(3-phenylpropyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine- 4-one","","- C15 H16 N4 O S -","- C15 H16 N4 O S -","- C240 H256 N64 O16 S16 -","16","2","DE1182","Avasthi, Kamlakar; Rawat, Diwan S.; Sarkhel, Sanjay; Maulik, Prakas R.","A dimeric layered structure of a 4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine compound","Acta Crystallographica Section C","2002","58","6","o325","o327","10.1107/S0108270102006649","","","1.5418","CuKα","","0.064","0.049","","","0.169","0.19","","","","","","1.523","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012822","25.678","0.004","7.4815","0.0013","6.9588","0.0012","90","","90","","90","","1336.9","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-diphenyl-1,4-phenylenediamine","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","0.5","NA1567","Gawlicka-Chruszcz, Anna; Stadnicka, Katarzyna","A comparative study of intermolecular interactions in the crystal structures of phenyl/phenyl end-capped oligoanilines","Acta Crystallographica Section C","2002","58","7","o416","o420","10.1107/S0108270102009472","","","0.71073","MoKα","","0.077","0.049","","","0.121","0.133","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012826","8.8713","0.0002","18.5116","0.0001","22.1042","0.0005","90","","90","","90","","3629.99","0.12","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","NA1575","Ma, Chengbing; Chen, Feng; Zhang, Xiaofeng; Chen,Changneng; Liu, Qiutian","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate dihydrate","Acta Crystallographica Section C","2002","58","7","m401","m403","10.1107/S0108270102009320","","","0.71073","MoKα","","","0.0383","","","0.0832","0.0967","","","","","","1.043","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2012861","7.9689","0.0011","7.603","0.0008","24.654","0.003","90","","90","","90","","1493.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-nitrophenylacetonitrile","(2-nitrophenyl)acetonitrile","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","1","FG1652","Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.","(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4","Acta Crystallographica Section C","2002","58","8","o528","o532","10.1107/S0108270102011514","","","0.71073","MoKα","","0.048","0.041","","","0.119","0.123","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012866","11.324","0.001","9.855","0.001","35.012","0.001","90","","90","","90","","3907.3","0.5","294","1","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cilostazol","6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one","","- C20 H27 N5 O2 -","- C20 H27 N5 O2 -","- C160 H216 N40 O16 -","8","1","FG1656","Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.","Polymorphic forms of cilostazol","Acta Crystallographica Section C","2002","58","8","o525","o527","10.1107/S0108270102012544","","","0.71073","MoKα","","0.058","0.042","","0.045","","0.042","","","2.102","","","1.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012883","7.9024","0.0005","28.7265","0.0015","11.3019","0.0006","90","","90","","90","","2565.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-iodo-N-(3-Nitrobenzyl)aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C104 H88 I8 N16 O16 -","8","1","GG1122","Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.","2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation","Acta Crystallographica Section C","2002","58","8","o487","o490","10.1107/S010827010201140X","","","0.71073","MoKα","","0.032","0.023","","","0.069","0.083","","","","","","1.211","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012893","15.38","0.0012","7.0779","0.0005","30.148","0.002","90","","90","","90","","3281.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-thiosulfato-κ^2^O:S]","","- C14 H16 Mn N2 O5 S2 -","- C14 H16 Mn N2 O5 S2 -","- C112 H128 Mn8 N16 O40 S16 -","8","1","OB1070","Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo","Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]","Acta Crystallographica Section C","2002","58","8","m455","m458","10.1107/S0108270102012404","","","0.71073","MoKα","","0.077","0.041","","","0.078","0.087","","","","","","0.853","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012930","12.058","0.002","7.054","0.001","24.398","0.005","90","","90","","90","","2075.2","0.6","90","0.2","90","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-aminophenyl)-2-phenyldiazene 2-oxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","GD1210","Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek","Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes","Acta Crystallographica Section C","2002","58","9","o545","o548","10.1107/S0108270102011952","","","0.71073","MoKα","","0.058","0.042","","","0.104","0.112","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012935","7.0604","0.0004","16.4995","0.0011","25.6678","0.0017","90","","90","","90","","2990.1","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-bis(hydroxymethyl)-4-[1-(4-methoxyphenyl)-1-methylethyl]phenol","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","1","GD1213","Masci, Bernardo; Thuéry, Pierre","Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl","Acta Crystallographica Section C","2002","58","9","o575","o579","10.1107/S0108270102013239","","","0.71073","MoKα","","0.0637","0.0447","","","0.1082","0.1191","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012961","14.991","0.001","10.633","0.001","15.064","0.001","90","","90","","90","","2401.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Dimorphorino-2-ethylium-1-dithioate","","- C10 H16 N2 O2 S2 -","- C10 H16 N2 O2 S2 -","- C80 H128 N16 O16 S16 -","8","1","TA1383","Fujihara, Takashi; Ohba, Takeshi; Nagasawa, Akira; Nakayama, Juzo; Yoza, Kenji","The stable inner salt 2,2-dimorpholino-2-ethylium-1-dithioate","Acta Crystallographica Section C","2002","58","9","o558","o559","10.1107/S0108270102013756","","","0.71073","MoKα","","0.0596","0.0453","","","0.0972","0.1032","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012965","8.7343","0.0004","17.945","0.0009","28.723","0.0017","90","","90","","90","","4502","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2,2'-bipyridine-κ^2^N,N')(dicyanamido-κN')copper(II) perchlorate","","- C22 H16 Cl Cu N7 O4 -","- C22 H16 Cl Cu N7 O4 -","- C176 H128 Cl8 Cu8 N56 O32 -","8","1","BM1508","Potočňák, Ivan; Burčák, Milan; Massa, Werner; Jäger, Lothar","Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>^1^)(dicyanamido-κ<i>N</i>')copper(II) perchlorate and μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanamide coordination","Acta Crystallographica Section C","2002","58","10","m523","m528","10.1107/S0108270102015731","","","0.71073","MoKα","","0.064","0.036","","","0.084","0.091","","","","","","0.969","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013025","9.4933","0.0003","9.7792","0.0003","20.2345","0.0007","90","","90","","90","","1878.51","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3'-fluoroacetoacetanilide","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C80 H80 F8 N8 O16 -","8","1","GD1216","Chisholm, Greig; Kennedy, Alan R.; Beaton, Laura; Brook, Eve","Structural motifs in acetoacetanilides: the effect of a fluorine substituent","Acta Crystallographica Section C","2002","58","11","o645","o648","10.1107/S0108270102016086","","","0.71073","MoKα","","0.086","0.043","","","0.091","0.104","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013034","8.179","0.0016","22.747","0.005","31.752","0.006","90","","90","","90","","5907","2","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Acetonitrile[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒ tetrafluoroborate‒acetonitrile (1/2/2)","","- C23 H24 B2 Cu F8 N10 O -","- C23 H24 B2 Cu F8 N10 O -","- C184 H192 B16 Cu8 F64 N80 O8 -","8","1","GG1141","Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Hubberstey, Peter; Julio, Carine; Withersby, Matthew A.","(Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒tetrafluoroborate‒acetonitrile (1/2/2)","Acta Crystallographica Section C","2002","58","11","m542","m544","10.1107/S0108270102018097","","","0.71073","MoKα","","0.089","0.059","","","0.157","0.175","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013139","16.9558","0.0003","18.1603","0.0002","22.2255","0.0001","90","","90","","90","","6843.73","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-o-Phenylenebis(diphenylphosphine)-κ^2^P:P']bis[chlorogold(I)]","","- C30 H24 Au2 Cl2 P2 -","- C30 H24 Au2 Cl2 P2 -","- C240 H192 Au16 Cl16 P16 -","8","1","FG1679","Mohamed, Ahmed A.; Krause Bauer, Jeanette A.; Bruce, Alice E.; Bruce, Mitchell R. M.","[μ-<i>o</i>-Phenylenebis(diphenylphosphine)-κ^2^<i>P</i>:<i>P</i>']bis[chlorogold(I)], dppbz(AuCl)~2~","Acta Crystallographica Section C","2003","59","3","m84","m86","10.1107/S0108270103002154","","","0.71073","MoKα","","0.089","0.043","","","0.066","0.076","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013147","12.2129","0.0017","11.5137","0.0016","15.456","0.002","90","","90","","90","","2173.4","0.5","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-aminopyridinium benzoate","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C96 H96 N16 O16 -","8","1","FR1405","Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter","2-Aminopyridinium benzoate","Acta Crystallographica Section C","2003","59","1","o51","o52","10.1107/S0108270102022333","","","0.71073","MoKα","","0.065","0.036","","","0.083","0.088","","","","","","0.892","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013170","12.319","0.002","10.976","0.002","22.826","0.004","90","","90","","90","","3086.4","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","7,16-diazonia-18-crown-6-bis(4-aminobenzenesulfonate) dihydrate","1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(4-aminobenzenesulfonate) dihydrate","","- C24 H44 N4 O12 S2 -","- C24 H44 N4 O12 S2 -","- C96 H176 N16 O48 S8 -","4","0.5","GG1151","Fonari, Marina S.; Simonov, Yurii A.; Botoshansky, Mark; Ganin, Eduard V.; Yavolovskii, Arkadii A.","The hydrogen-bonded adduct 7,16-diazonia-18-crown-6‒4-aminobenzenesulfonate‒water (1/2/2)","Acta Crystallographica Section C","2003","59","2","o88","o90","10.1107/S010827010300129X","","","0.71073","MoKα","","0.076","0.042","","","0.106","0.118","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2013205","9.1467","0.0018","16.102","0.003","24.318","0.005","90","","90","","90","","3581.6","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(1-Naphthylacetyl)glycine phenacyl ester","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","SK1607","Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr","<i>N</i>-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate","Acta Crystallographica Section C","2003","59","2","o77","o79","10.1107/S0108270103000155","","","0.71073","MoKα","","0.0425","0.04","","","0.0831","0.0845","","","","","","1.165","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013211","7.4171","0.0002","22.1145","0.0008","15.7093","0.0004","90","","90","","90","","2576.73","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 I N2 O2 S -","- C12 H9 I N2 O2 S -","- C96 H72 I8 N16 O16 S8 -","8","1","SK1610","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","4-Iodo-<i>N</i>-(2-nitrophenylsulfanyl)aniline: π-stacked sheets generated by a combination of N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2003","59","3","o95","o97","10.1107/S0108270103000775","","","0.71073","MoKα","","0.0841","0.0403","","","0.0715","0.0818","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013244","7.6844","0.001","14.424","0.0018","22.378","0.003","90","","90","","90","","2480.4","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2-bromophenyl) disulfide","Bis(2-bromophenyl) disulfide","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C96 H64 Br16 S16 -","8","1","BM1522","J.R. Anacona; Jofre Gómez; Daniel Loroño","Two polymorphs of bis(2-bromophenyl) disulfide","Acta Crystallographica Section C","2003","59","5","o277","o280","10.1107/S0108270103006851","","","0.71073","MoKα","","0.0222","0.0189","","","0.0481","0.0485","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013268","10.593","0.001","15.134","0.002","28.592","0.003","90","","90","","90","","4583.7","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ansa-[(tert-butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~","(N-tert-butyl-N-{[(1,2,3,3a,7a-η)-4,5,6,7-tetrahydro-4,7-methano-1H-inden- 2-yl]dimethylsilyl}amido)-κN]bis(N-methylmethanaminato-κN)zirconium(IV)","","- C20 H37 N3 Si Zr -","- C20 H37 N3 Si Zr -","- C160 H296 N24 Si8 Zr8 -","8","1","FR1410","Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.","<i>ansa</i>-[(<i>tert</i>-Butylamino)(isodicyclopentadienyl)dimethylsilane]Zr(NMe~2~)~2~ prepared by an amine-elimination reaction","Acta Crystallographica Section C","2003","59","4","m109","m111","10.1107/S0108270103003172","","","0.71073","MoKα","","0.038","0.029","","","0.075","0.08","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013313","7.4958","0.0006","7.1942","0.0006","20.7522","0.0018","90","","90","","90","","1119.09","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","palladium-ethylxanthate","bis(O-ethyl dithiocarbonato)palladium(II)","","- C6 H10 O2 Pd S4 -","- C6 H10 O2 Pd S4 -","- C24 H40 O8 Pd4 S16 -","4","0.5","LN1165","Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib","Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')palladium(II)","Acta Crystallographica Section C","2003","59","5","m199","m200","10.1107/S0108270103007406","","","0.71073","MoKα","","0.0384","0.0257","","","0.0545","0.0569","","","","","","0.923","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013337","19.61","0.05","17.35","0.002","16.832","0.002","90","","90","","90","","5727","15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[N,N'-diisopropyl-N-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","","- C34 H62 Cl14 N4 Si2 Zr2 -","- C34 H62 Cl14 N4 Si2 Zr2 -","- C136 H248 Cl56 N16 Si8 Zr8 -","4","0.5","NA1614","Roberto Centore; Angela Tuzi; Dario Liguori","Bis[<i>N</i>,<i>N</i>'-diisopropyl-<i>N</i>-(trimethylsilyl)benzamidinium] di-μ-chloro-bis[tetrachlorozirconate(IV)] dichloromethane disolvate","Acta Crystallographica Section C","2003","59","6","m241","m242","10.1107/S0108270103010035","","","0.71069","MoKα","","0.1123","0.0491","","","0.1208","0.1469","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013361","13.5867","0.0006","7.8621","0.0002","13.9932","0.0006","90","","90","","90","","1494.75","0.1","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-2,6-dimethoxypyrimidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C48 H72 N24 O16 -","8","1","SK1625","Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio","4-Amino-2,6-dimethoxypyrimidine: hydrogen-bonded sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(28) rings, reinforced by an aromatic π‒π-stacking interaction","Acta Crystallographica Section C","2003","59","4","o202","o204","10.1107/S010827010300547X","","","0.71073","MoKα","","0.0945","0.047","","","0.1094","0.1253","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013380","15.154","0.004","10.499","0.003","36.743","0.008","90","","90","","90","","5846","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,10-Bis-spiro(2-adamantiliden)-1,3,6,9,11,14-hexathiacyclohexadecane","","- C28 H44 S6 -","- C28 H44 S6 -","- C224 H352 S48 -","8","1","TR1053","Višnjevac, Aleksandar; Kojić-Prodić, Biserka; Vinković, Marijana; Mlinarić-Majerski, Kata","Dispiro[adamantane-2,2'-1',3',6',9',11',14'-hexathiacyclohexadecane-10',2''-adamantane]","Acta Crystallographica Section C","2003","59","6","o314","o316","10.1107/S0108270103008369","","","0.71069","MoKα","","","0.0629","","","","0.2043","","","","","","0.922","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013400","6.43","0.0013","13.709","0.003","17.134","0.003","90","","90","","90","","1510.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","bis[3-(3-cyanofurazan-4-yloxy)furazan-4-yl]diazene","","- C10 N12 O6 -","- C10 N12 O6 -","- C40 N48 O24 -","4","0.5","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0556","0.0404","","","0.1011","0.1107","","","","","","1.048","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013431","11.274","0.002","13.822","0.002","21.606","0.003","90","","90","","90","","3366.8","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Cl4 N3 Sn -","- C9 H15 Cl4 N3 Sn -","- C72 H120 Cl32 N24 Sn8 -","8","1","FG1697","Koutsantonis, George A.; Morien, Travis S.; Skelton, Brian W.; White, Allan H.","<i>cis</i>-Bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, <i>cis</i>-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, <i>cis</i>-tetrachlorobis(isobutyronitrile)tin(IV), <i>cis</i>-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and <i>cis</i>-tetrachlorobis(<i>o</i>-toluonitrile)tin(IV), all determined at <i>ca</i> 150K","Acta Crystallographica Section C","2003","59","9","m361","m365","10.1107/S0108270103012642","","","0.71073","MoKα","","0.049","0.027","","0.038","","0.034","","","1.07","","","1.108","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013472","11.138","0.002","13.57","0.003","14.57","0.003","90","","90","","90","","2202.1","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,7-dibromo-2-hydroxy-6-isopropyl-2,4,6-cycloheptatrien-1-one","","- C10 H10 Br2 O2 -","- C10 H10 Br2 O2 -","- C80 H80 Br16 O16 -","8","1","JZ1565","Steyl, Gideon; Roodt, Andreas","3,7-Dibromohinokitiol: a redetermination","Acta Crystallographica Section C","2003","59","9","o525","o527","10.1107/S0108270103016548","","","0.71073","MoKα","","0.07","0.037","","","0.093","0.106","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013590","10.6464","0.0007","10.7749","0.0007","20.854","0.0013","90","","90","","90","","2392.2","0.3","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien- 1(2H)-one","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","FR1432","Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Büyükgüngör, Orhan; Lönnecke, Peter","2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one and its 6-hydroxy and 6-methoxy derivatives","Acta Crystallographica Section C","2003","59","11","o616","o619","10.1107/S0108270103020997","","","0.71073","MoKα","","0.06","0.046","","","0.099","0.105","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013605","12.5103","0.0007","8.4276","0.0006","24.401","0.002","90","","90","","90","","2572.6","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[dipotassium [bis[μ-N-salicylidene-β-alaninato(2-)]-κ^4^O,N,O':O'';κ^4^O'':O,N,O'- dicopper(II)]-di-μ-isothiocyanato-k^2^N:S;κ^2^S:N]","","- C11 H9 Cu K N2 O3 S -","- C11 H9 Cu K N2 O3 S -","- C88 H72 Cu8 K8 N16 O24 S8 -","8","1","GD1279","Marek, Jaromír; Vančo, Ján; Švajlenová, Oľga","<i>catena</i>-Poly[potassium [copper(II)-μ-isothiocyanato-μ-<i>N</i>-salicylidene-β-alaninato(2‒)]]","Acta Crystallographica Section C","2003","59","12","m509","m511","10.1107/S0108270103023151","","","0.71073","MoKα","","0.04","0.033","","","0.077","0.08","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013637","17.6868","0.0007","20.6923","0.0008","20.7567","0.0008","90","","90","","90","","7596.5","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(perchlorato-κ^2^O,O')[28,31,36,39-tetraoxa-1,9,17,25,42- pentaazahexacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane- κ^8^N^1^,N^9^,N^17^,N^42^,O^28^,O^31^,O^36^,O^39^]barium(II) perchlorate","","- C33 H41 Ba Cl2 N5 O12 -","- C33 H41 Ba Cl2 N5 O12 -","- C264 H328 Ba8 Cl16 N40 O96 -","8","1","JZ1570","Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa","A barium perchlorate complex with a lateral macrobicycle derived from 4,13-diaza-18-crown-6 containing a pyridine Schiff base spacer","Acta Crystallographica Section C","2003","59","11","m450","m451","10.1107/S0108270103016901","","","0.71073","MoKα","","0.093","0.048","","","0.078","0.092","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013639","8.567","0.002","12.33","0.003","18.343","0.004","90","","90","","90","","1937.6","0.8","96","0.1","96","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-methanesulfonyl-N-methyl-2-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C64 H80 N16 O32 S8 -","8","1","JZ1571","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek","Rearrangement products of 3-methanesulfonyl-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2003","59","10","o564","o566","10.1107/S0108270103017888","","","0.71073","MoKα","","0.0459","0.0311","","","0.0857","0.1141","","","","","","1.164","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013643","9.1894","0.001","7.9653","0.0009","15.6683","0.0017","90","","90","","90","","1146.9","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)cobalt(II)","","- C6 H12 Cl2 Co N4 O2 -","- C6 H12 Cl2 Co N4 O2 -","- C24 H48 Cl8 Co4 N16 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0246","","","0.0562","0.0606","","","","","","0.941","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013644","9.1185","0.0007","7.9344","0.0006","15.5636","0.0012","90","","90","","90","","1126.02","0.15","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aquadichlorobis(1H-imidazole)nickel(II)","","- C6 H12 Cl2 N4 Ni O2 -","- C6 H12 Cl2 N4 Ni O2 -","- C24 H48 Cl8 N16 Ni4 O8 -","4","0.5","JZ1575","Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio","Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)","Acta Crystallographica Section C","2003","59","10","m396","m398","10.1107/S0108270103018080","","","0.71073","MoKα","","0.0368","0.0283","","","0.0594","0.0616","","","","","","1.27","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013753","14.2587","0.0009","8.5369","0.0006","14.9245","0.001","90","","90","","90","","1816.7","0.2","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-trimethylbenzamide","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","FA1038","Maria Gdaniec; Teresa Olszewska; Tadeusz Połoński","2,4,6-Trimethylbenzamide","Acta Crystallographica Section C","2004","60","1","o41","o43","10.1107/S0108270103026611","","","0.71073","MoKα","","0.0865","0.0425","","","0.0768","0.0903","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013793","16.1522","0.0001","10.4928","0.0001","18.9161","0.0003","90","","90","","90","","3205.93","0.06","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tris(arsenato)fluorohydroxotrigallium 1,3-diaminopropane monohydrate","","- C3 H15 As3 F Ga3 N2 O14 -","- C3 H12 As3 F Ga3 N2 O14 -","- C24 H96 As24 F8 Ga24 N16 O112 -","8","1","GD1296","Loiseau, Thierry; Ferey, Gerard","A novel gallium arsenate organically templated by propane-1,3-diyldiammonium with a ULM-3-type open framework: [Ga~3~(AsO~4~)~3~(OH)F](C~3~H~12~N~2~)·H~2~O","Acta Crystallographica Section C","2004","60","3","i30","i32","10.1107/S010827010400071X","","","0.71073","MoKα","","0.0454","0.0354","","","0.085","0.087","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013806","7.2761","0.0002","14.8881","0.0005","23.0407","0.0006","90","","90","","90","","2495.94","0.13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-Nitrophenyl)benzamide-2-carboxylic acid","2-(2-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.093","0.049","","","0.1","0.115","","","","","","0.982","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013846","12.3382","0.0014","8.6777","0.0009","25.968","0.004","90","","90","","90","","2780.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-bis(2-chlorophenyl)-4-amino-1H-1,2,4-triazole","","- C14 H10 Cl2 N4 -","- C14 H10 Cl2 N4 -","- C112 H80 Cl16 N32 -","8","1","SK1670","Zachara, Janusz; Madura, Izabela; Włostowski, Marek","Hydrogen-bonding patterns in two structural isomers of 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","2004","60","1","o57","o59","10.1107/S0108270103026945","","","0.71073","MoKα","","0.0644","0.0364","","","0.0872","0.0975","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013850","9.3808","0.0001","24.9553","0.0004","10.3277","0.0001","90","","90","","90","","2417.72","0.05","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^2^-(2-Hydroxybenzoyloxy)benzamidine","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","SK1677","Carvalho, Carlos E. M.; Wardell, Solange M. S. V.; Wardell, James L.; Skakle, Janet M. S.,; Low, John N.; Glidewell, Christopher","Three <i>N</i>^2^-benzoyloxybenzamidines: sheet structures built from hard and soft hydrogen bonds and aromatic π‒π stacking interactions","Acta Crystallographica Section C","2004","60","1","o28","o32","10.1107/S0108270103025435","","","0.71073","MoKα","","0.0484","0.0391","","","0.0984","0.1048","","","","","","0.971","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013927","6.7762","0.0005","5.0901","0.0004","14.3098","0.0011","90","","90","","90","","493.57","0.07","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","sodium catena-arsenite","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.0607","0.0396","","","0.1007","0.1085","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013946","14.8041","0.0009","18.0337","0.0012","18.1151","0.0012","90","","90","","90","","4836.2","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","E-2-(α,β-Dicarbomethoxyvinyl)cyclopentadien-1-ylidenetriphenylphosphorane","dimethyl (E)-1-[2-(triphenylphosphoranylidene)cyclopentadien-1-yl]ethylenedicarboxylate","","- C29 H25 O4 P -","- C29 H25 O4 P -","- C232 H200 O32 P8 -","8","1","FA1050","Gilheany, Declan G.; Higham, Lee J.; Kelly, P. Gabriel; Mueller-Bunz, Helge","(E)- and {(Z)-2-[α,β-bis(methoxycarbonyl)vinyl]cyclopentadien-1- ylidene}triphenylphosphorane","Acta Crystallographica, Section C","2004","60","","o308","o311","10.1107/S0108270104006067","","","0.71073","MoKα","","0.0567","0.0425","","","0.1003","0.1062","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014059","16.107","0.009","7.547","0.004","17.437","0.01","90","","90","","90","","2120","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-poly[[bis(3,5-dimethyl-1H-pyrazole-κN^2^)manganese(II)-di-μ- tricyanomethanido-κ^2^N:N']","","- C18 H16 Mn N10 -","- C18 H16 Mn N10 -","- C72 H64 Mn4 N40 -","4","0.5","SK1708","Ze-Huai, Shao; Jun, Luo; Rui-Fang, Cai; Xi-Geng, Zhou; Lin-Hong, Weng; Zhen-Xia, Chen","<i>catena</i>-Poly[[bis(1<i>H</i>-benzotriazole-κ<i>N</i>^3^)cobalt(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>'] and <i>catena</i>-poly[[bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)manganese(II)]-di-μ-tricyanomethanido-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","6","m250","m253","10.1107/S0108270104008406","","","0.71073","MoKα","","0.0578","0.035","","","0.0782","0.0861","","","","","","0.938","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014104","10.938","0.002","11.464","0.002","22.038","0.004","90","","90","","90","","2763.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cerium chromate hydrate","dicerium(IV) tetrachromate(VI) dihydrate","","- Ce2 Cr4 H4 O18 -","- Ce2 Cr4 H4 O18 -","- Ce16 Cr32 H32 O144 -","8","1","BC1054","Kolitsch, Uwe; Schwendtner, Karolina","A new chromate of tetravalent cerium: Ce~2~(CrO~4~)~4~·2H~2~O","Acta Crystallographica Section C","2004","60","9","i89","i90","10.1107/S0108270104017275","","","0.71073","MoKα","","0.0212","0.0176","","","0.0431","0.0442","","","","","","1.149","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014163","7.761","0.005","22.288","0.005","10.684","0.005","90","","90","","90","","1848.1","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C72 H96 N8 O24 -","4","0.5","GA1062","Uçar, İbrahim; Bulut, Ahmet; Yeşilel, Okan Zafer; Büyükgüngör, Orhan","Picolinamidium squarate and di-<i>p</i>-toluidinium squarate dihydrate","Acta Crystallographica Section C","2004","60","8","o585","o588","10.1107/S0108270104013964","","","0.71069","MoKα","","0.0806","0.0368","","","0.0823","0.0939","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014210","11.3371","0.0008","12.7769","0.0009","29.1481","0.0018","90","","90","","90","","4222.2","0.5","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,3-dichloro-2,2,4,4,3'-pentamethyl-r-2',t-4'-diphenylcyclobutane-1-spiro-5'- 1,3-thiazolidine","","- C23 H27 Cl2 N S -","- C23 H27 Cl2 N S -","- C184 H216 Cl16 N8 S8 -","8","1","NA1671","Domagała, Małgorzata; Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Urbaniak, Katarzyna; Mlostoń, Grzegorz; Grabowski, Sławomir J.","Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3'-pentamethyl-<i>r</i>-2',<i>t</i>-4'-diphenylcyclobutane-1-spiro-5'-1,3-thiazolidine","Acta Crystallographica Section C","2004","60","8","o595","o599","10.1107/S0108270104015045","","","0.71073","MoKα","","","0.0326","","","","0.0802","","","","","","0.924","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014224","6.905","0.003","13.116","0.005","18.969","0.011","90","","90","","90","","1717.9","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","p-nitrophenyl sufate potassium salt","potassium p-nitrophenyl sulfate","","- C6 H4 K N O6 S -","- C6 H4 K N O6 S -","- C48 H32 K8 N8 O48 S8 -","8","1","SK1726","Sierosławski, Krzysztof; Popek, Tomasz; Lis, Tadeusz","Potassium <i>p</i>-nitrophenyl sulfate","Acta Crystallographica Section C","2004","60","7","m327","m329","10.1107/S0108270104010984","","","0.71073","MoKα","","0.0696","0.0364","","","0.0772","0.0848","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014256","9.777","0.002","8.232","0.002","20.089","0.005","90","","90","","90","","1616.8","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","p-iodoacetophenone polymorph B","","- C8 H7 I O -","- C8 H7 I O -","- C64 H56 I8 O8 -","8","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.049","0.026","","","0.059","0.07","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014355","13.2379","0.0007","7.8883","0.0004","29.4118","0.0017","90","","90","","90","","3071.3","0.3","114","2","114","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-diethyl-N'-(7-iodoquinolin-4-yl)ethane-1,2-diamine","","- C15 H20 I N3 -","- C15 H20 I N3 -","- C120 H160 I8 N24 -","8","1","HJ1079","Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.","Three 4-aminoquinolines of antimalarial interest","Acta Crystallographica Section C","2006","62","2","o53","o57","10.1107/S0108270105041235","","","0.71073","MoKα","","0.0661","0.0362","","","0.0708","0.0811","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014361","9.4653","0.0003","14.6974","0.0004","25.389","0.0009","90","","90","","90","","3532","0.19","213.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","HJ1087","Asahara, Haruyasu; Koizumi, Takuya; Mochizuki, Eiko; Oshima, Takumi","Two conformers of 10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptene spiro-linked with homobenzoquinone epoxide","Acta Crystallographica Section C","2006","62","3","o136","o138","10.1107/S0108270106002800","","","0.7107","MoKα","","","0.077","","","","0.1761","","","","","","1.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2014363","6.75","0.001","19.893","0.002","20.585","0.002","90","","90","","90","","2764.1","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-poly[{4-chloro-2-[2- (dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","","- C11 H14 Cl N5 Ni O -","- C11 H14 Cl N5 Ni O -","- C88 H112 Cl8 N40 Ni8 O8 -","8","1","HJ3001","Sun, Yu-Xi","Two different structures controlled by small secondary ligands: {4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}thiocyanatonickel(II) and <i>catena</i>-poly[[{4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolato}nickel(II)]-μ-azido]","Acta Crystallographica Section C","2006","62","3","m109","m111","10.1107/S0108270106003118","","","0.71073","MoKα","","0.0388","0.0295","","","0.0694","0.0738","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014374","18.12","0.004","11.317","0.002","19.777","0.004","90","","90","","90","","4055.6","1.4","293","1","293","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","","- C22 H27 Cu N3 O2 -","- C22 H27 Cu N3 O2 -","- C176 H216 Cu8 N24 O16 -","8","1","LN3001","Mahbod Morshedi; Soraia Meghdadi; Schenk, Kurt J.","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}copper(II)","Acta Crystallographica Section C","2006","62","3","m87","m89","10.1107/S0108270105043258","","","0.71073","MoKα","","0.0736","0.0465","","","0.0896","0.0973","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014380","10.333","0.002","28.914","0.005","41.642","0.008","90","","90","","90","","12441","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H36 B3 N3 O6 -","- C45 H108 B9 N9 O18 -","- C360 H864 B72 N72 O144 -","8","1","SF1024","Gainsford, Graeme J.; Al-Salim, Najeh","Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound","Acta Crystallographica Section C","2006","62","2","o65","o67","10.1107/S0108270105041089","","","0.71073","MoKα","","0.1858","0.0695","","","0.1123","0.1447","","","","","","0.975","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014394","11.2405","0.0002","18.8738","0.0003","21.0529","0.0003","90","","90","","90","","4466.39","0.12","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione","","- C26 H18 Cl3 N O2 -","- C26 H18 Cl3 N O2 -","- C208 H144 Cl24 N8 O16 -","8","1","SK1891","Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher","1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of <i>R</i>~4~^4^(26) rings built from C—H···N and C—H···O hydrogen bonds","Acta Crystallographica Section C","2006","62","1","o39","o41","10.1107/S0108270105039193","","","0.71073","MoKα","","0.0624","0.0421","","","0.1036","0.1156","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014448","9.8044","0.0007","21.3628","0.0013","29.2053","0.0015","90","","90","","90","","6117","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene","","- C30 H25 Cl N3 O5 P3 -","- C30 H25 Cl N3 O5 P3 -","- C240 H200 Cl8 N24 O40 P24 -","8","1","DN1053","Sopková-de Oliveira Santos, Jana; Bauchart, Diane; Besset, Celine; Dez, Isabelle","1-Chloro-1,3,3,5,5-pentaphenoxycyclotriphosphazene: a precursor of functionalized cyclophosphazene derivatives","Acta Crystallographica Section C","2004","60","10","o751","o753","10.1107/S0108270104018190","","","0.71073","MoKα","","0.123","0.0512","","","0.1251","0.1534","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014454","14.9903","0.0017","15.3555","0.0018","21.022","0.003","90","","90","","90","","4838.9","1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Dicyanamido-κN^1^)bis(1,10-phenanthroline-κ^2^N,N')copper(II) perchlorate","","- C26 H16 Cl Cu N7 O4 -","- C26 H16 Cl Cu N7 O4 -","- C208 H128 Cl8 Cu8 N56 O32 -","8","1","FA1074","Burčák, Milan; Potočňák, Ivan; Baran, Peter; Jäger, Lothar","Low-dimensional compounds containing cyano groups. X. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","Acta Crystallographica Section C","2004","60","12","m601","m604","10.1107/S0108270104018244","","","0.71073","MoKα","","0.1348","0.0569","","","0.131","0.1691","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014458","19.5886","0.0014","13.8924","0.0009","8.3714","0.0003","90","","90","","90","","2278.1","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[(1-methylpyrrol-2-yl)methylidene]-2,3-dihydro-1H-isoindol-2-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","FA1085","Bonnett, Raymond; Motevalli, Majid; Swanson,Fiona J.; Vallés, María Asunción","11-Methyl-2,3-benzodipyrrin-1-one","Acta Crystallographica Section C","2004","60","12","o890","o892","10.1107/S0108270104026708","","","0.71073","MoKα","","0.1171","0.0542","","","0.1093","0.1301","","","","","","0.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014488","14.18","0.002","16.076","0.002","18.413","0.002","90","","90","","90","","4197.4","0.9","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Bromo-1,9-diphenyl-4-p-tolyl-7-oxa-1,2,8-triazaspiro[4.4]nona-2,8-dien-6-one","","- C24 H18 Br N3 O2 -","- C24 H18 Br N3 O2 -","- C192 H144 Br8 N24 O16 -","8","1","GD1337","Bruno, Giuseppe; Nicoló, Francesco; Rotondo, Archimede; Foti, Francesco; Risitano, Francesco; Grassi, Giovanni","Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives","Acta Crystallographica Section C","2004","60","12","o879","o883","10.1107/S0108270104022231","","","0.71073","MoKα","","","0.0531","","","","0.1051","","","","","","1.004","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014513","9.0727","0.0004","12.9327","0.0005","19.0201","0.0008","90","","90","","90","","2231.71","0.16","298","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","","- C6 H14 Cr2 N2 O7 -","- C6 H14 Cr2 N2 O7 -","- C48 H112 Cr16 N16 O56 -","8","1","NA1676","Jin, Zhi-Min; Li, Li; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","Diazabicyclo[2.2.2]octane-1,4-diium dichromate","Acta Crystallographica Section C","2004","60","11","m572","m574","10.1107/S010827010402342X","","","0.71073","MoKα","","0.0306","0.0288","","","0.08","0.0814","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014524","14.3665","0.001","17.1608","0.0018","19.762","0.003","90","","90","","90","","4872.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-[Bis(N-2-oxyphenylsalicylydene)]propane","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C232 H208 N16 O32 -","8","1","OB1202","Hökelek, Tuncer; Bilge, Selen; Demiriz, Şemsay; Özgüç, Bilgehan; Kılıç, Zeynel","1,3-Bis[2-(2-hydroxybenzylideneamino)phenoxy]propane","Acta Crystallographica Section C","2004","60","11","o803","o805","10.1107/S0108270104022565","","","1.5418","CuKα","","0.0804","0.0445","","","0.1172","0.1356","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014525","13.785","0.011","8.554","0.007","34.74","0.03","90","","90","","90","","4096","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[(1E)-(4-Chlorophenyl)methyleneamino]-N-(3-methylphenyl)-4,5,6,7- tetrahydro-1-benzothiophene-3-carboxamide","","- C23 H21 Cl N2 O S -","- C23 H21 Cl N2 O S -","- C184 H168 Cl8 N16 O8 S8 -","8","1","OB1203","Vasu; Nirmala, K. A.; Chopra, Deepak; Mohan, S.; Saravanan, J.","2-[(<i>E</i>)-(4-Chlorophenyl)methyleneamino]-<i>N</i>-(<i>X</i>-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2004","60","11","o786","o788","10.1107/S0108270104021092","","","0.71073","MoKα","","0.1156","0.0597","","","0.1155","0.1358","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014529","14.8737","0.0002","14.3865","0.0002","17.6287","0.0003","90","","90","","90","","3772.2","0.1","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N2 O5 -","- C20 H21 Cl N2 O5 -","- C160 H168 Cl8 N16 O40 -","8","1","","Linden, Anthony; Şafak, Cihat; Aydın, Fırat","Methyl 4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","Acta Crystallographica, Section C: Crystal Structure Communications","2004","60","10","o711","o713","10.1107/s0108270104019468","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2014549","8.2208","0.0002","13.0786","0.0004","13.9233","0.0004","90","","90","","90","","1496.99","0.07","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C64 H32 N16 O32 -","8","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0455","0.0392","","","0.0959","0.0989","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014588","9.554","0.0005","15.4561","0.0011","18.4412","0.0009","90","","90","","90","","2723.2","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[chloro(1,10-phenanthroline-κ^2^N,N')copper(II)]-μ-1,3- imidazolato-κ^2^N:N']","","- C15 H11 Cl Cu N4 -","- C15 H11 Cl Cu N4 -","- C120 H88 Cl8 Cu8 N32 -","8","1","TA1475","Hu, Mao-Lin; Cai, Xiao-Qing; Shi, Qian; Cheng, Ya-Qian","<i>catena</i>-Poly[[chloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-imidazolato-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section C","2004","60","11","m575","m577","10.1107/S010827010402311X","","","0.71073","MoKα","","0.0359","0.0297","","","0.0708","0.0737","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014627","12.781","0.0019","6.986","0.001","35.454","0.005","90","","90","","90","","3165.6","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","4-bromoanilinium 5-sulfosalicylate monohydrate","4-bromoanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 Br N O7 S -","- C13 H14 Br N O7 S -","- C104 H112 Br8 N8 O56 S8 -","8","1","BM1595","Graham Smith; Urs D. Wermuth; Jonathan M. White","Hydrogen bonding in 1:1 proton-transfer compounds of 5-sulfosalicylic acid with 4-<i>X</i>-substituted anilines (<i>X</i> = F, Cl or Br)","Acta Crystallographica Section C","2005","61","2","o105","o109","10.1107/S0108270104033451","","","0.71073","MoKα","","0.0497","0.0382","","","0.1068","0.1121","","","","","","1.069","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014631","8.4792","0.0013","9.6152","0.0015","26.864","0.004","90","","90","","90","","2190.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium 2,4,6-trimethylbenzenesulfonate","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C72 H120 N8 O24 S8 -","8","1","BM1599","Aucott, Stephen M.; Dale, Sophie H.; Elsegood, Mark R. J.; Holmes, Kathryn E.; Gilby, Liam M.; Kelly, Paul F.","Polymorphism in ammonium 2,4,6-trimethylbenzenesulfonate","Acta Crystallographica Section C","2005","61","3","o134","o137","10.1107/S0108270104034274","","","0.71073","MoKα","","0.0979","0.0662","","","0.1531","0.1988","","","","","","1.15","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014735","7.9669","0.0005","17.267","0.0011","13.6223","0.0009","90","","90","","90","","1873.9","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione","","- C8 H12 N4 O3 -","- C8 H12 N4 O3 -","- C64 H96 N32 O24 -","8","1","SK1792","da Silva, Emerson T.; Ribiero, Rodrigo S.; Lima, Edson L. S.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione and four amino derivatives","Acta Crystallographica Section C","2005","61","1","o15","o20","10.1107/S0108270104028859","","","0.71073","MoKα","","0.0889","0.0464","","","0.1157","0.1287","","","","","","0.944","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014749","18.2168","0.0004","7.5623","0.0002","22.1355","0.0005","90","","90","","90","","3049.41","0.13","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","fenofibric acid","2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid","","- C17 H15 Cl O4 -","- C17 H15 Cl O4 -","- C136 H120 Cl8 O32 -","8","1","SQ1185","Rath, Nigam P.; Haq, Wahajul; Balendiran, Ganesaratnam K.","Fenofibric acid","Acta Crystallographica Section C","2005","61","2","o81","o84","10.1107/S0108270104032573","","","0.71073","MoKα","","0.0485","0.0416","","","0.0957","0.0991","","","","","","1.114","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014752","7.8896","0.0006","12.7281","0.001","21.8425","0.0018","90","","90","","90","","2193.4","0.3","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,7-bis(hydroxymethyl)-3,6-dioxatricyclo[5.3.1.0^1.5^]undecan-2-one","","- C11 H16 O5 -","- C11 H16 O5 -","- C88 H128 O40 -","8","1","SQ1188","Rodríguez, M.L.; Febles, M.; Pérez, C.; Pérez-Hernández , N.; Martín , J.D.; Foces-Foces, C.","Hydrogen-bonding patterns of two dihydroxylactone derivatives","Acta Crystallographica Section C","2005","61","3","o138","o142","10.1107/S0108270105000557","","","0.71073","MoKα","","0.092","0.053","","","0.117","0.132","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014776","11.0511","0.0012","14.1558","0.0012","15.2486","0.0011","90","","90","","90","","2385.4","0.4","122","1","122","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","nitridobis(2-sulfidopyridine N-oxide)chromium(V)","","- C10 H8 Cr N3 O2 S2 -","- C10 H8 Cr N3 O2 S2 -","- C80 H64 Cr8 N24 O16 S16 -","8","1","BG1000","Torben Birk; Henning Osholm Sørensen; Jesper Bendix","Two square-pyramidal chromium(V)‒nitride complexes: bis(2-methylquinolin-8-olato)nitridochromium(V) and nitridobis(2-sulfidopyridine <i>N</i>-oxide)chromium(V)","Acta Crystallographica Section C","2005","61","5","m231","m233","10.1107/S0108270105008693","","","0.71073","MoKα","","0.0348","0.0253","","","0.0648","0.0736","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014777","7.2505","0.0007","16.3379","0.001","26.4894","0.0017","90","","90","","90","","3137.9","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Dimethyl-1,4-benzoquinone monooxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C128 H144 N16 O32 -","16","2","BM1603","Odabaşoğlu, Mustafa; Albayrak, Çiğdem; Büyükgüngör, Orhan","2,6-Dimethyl-1,4-benzoquinone 4-monooxime","Acta Crystallographica Section C","2005","61","4","o240","o242","10.1107/S0108270105005500","","","0.71073","MoKα","","0.0895","0.0481","","","0.1266","0.1425","","","","","","0.872","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014798","9.1229","0.0003","12.098","0.0005","32.8793","0.0012","90","","90","","90","","3628.9","0.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cis-Co(en)2(N3)2 picrate","cis-diazidobis(ethylenediamine-κ^2^N,N')cobalt(III) picrate","","- C10 H18 Co N13 O7 -","- C10 H18 Co N13 O7 -","- C80 H144 Co8 N104 O56 -","8","1","FA1132","Sharma, Raj Pal; Sharma, Rajni; Bala, Ritu; Bond, Andrew D.","Second-sphere coordination in anion binding: <i>cis</i>-diazidobis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) picrate","Acta Crystallographica Section C","2005","61","6","m272","m274","10.1107/S0108270105011960","","","0.71073","MoKα","","0.0503","0.0423","","","0.1111","0.1152","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014811","10.1041","0.0004","7.221","0.0003","17.8026","0.0007","90","","90","","90","","1298.91","0.09","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-2,5-dihydrothiophene 1-oxide","","- C4 H4 Cl2 O S -","- C4 H4 Cl2 O S -","- C32 H32 Cl16 O8 S8 -","8","1","FR1507","Pett, Virginia B.; Haynes, LeRoy W.","2,5-Dichloro-2,5-dihydrothiophene 1-oxide: determinaton of the complete stereochemistry","Acta Crystallographica Section C","2005","61","4","o211","o212","10.1107/S0108270105004257","","","0.71073","MoKα","","0.0358","0.0315","","","0.0839","0.0894","","","","","","1.043","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014814","9.885","0.003","8.867","0.002","17.092","0.004","90","","90","","90","","1498.1","0.7","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2H-tetrazole-κ^2^N^1^:N^4^]","","- C8 H16 Cl2 Cu N8 -","- C8 H16 Cl2 Cu N8 -","- C32 H64 Cl8 Cu4 N32 -","4","0.5","GA1097","Lyakhov, Alexander S.; Degtyarik, Michail M.; Ivashkevich, Ludmila S.; Gaponik, Pavel N.","Coordination polymers formed by bridging 2-substituted tetrazole ligands: poly[[dichlorocopper(II)]-di-μ~2~-2-propyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^] and poly[[dichlorocopper(II)]-di-μ~2~-2-allyl-2<i>H</i>-tetrazole-κ^2^<i>N</i>^1^:<i>N</i>^4^]","Acta Crystallographica Section C","2005","61","4","m158","m160","10.1107/S0108270105004002","","","0.71073","MoKα","","0.0434","0.0408","","","0.1223","0.1243","","","","","","1.126","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014848","8.326","0.005","13.588","0.005","12.401","0.005","90","0.005","90","0.005","90","0.005","1403","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Bis(3-ethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)butane","","- C12 H20 N6 O2 -","- C12 H20 N6 O2 -","- C48 H80 N24 O8 -","4","0.5","GZ1000","Ocak Ískeleli, Nazan; Işık, Şamil; Sancak, Kemal; Şaşmaz, Selami; Ünver, Yasemin; Er, Mustafa","4,4'-Butane-1,4-diylbis[3-ethyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one] and 4-hydroxy-3-<i>n</i>-propyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2005","61","6","o363","o365","10.1107/S0108270105008449","","","0.71073","MoKα","","0.0663","0.0333","","","0.0662","0.0715","","","","","","0.804","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014890","8.3566","0.0012","14.246","0.002","14.779","0.002","90","","90","","90","","1759.4","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-bis(4-bromobutyl)-2,2'-bipyridine","","- C18 H22 Br2 N2 -","- C18 H22 Br2 N2 -","- C72 H88 Br8 N8 -","4","0.5","SK1818","Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser","Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine","Acta Crystallographica Section C","2005","61","4","o259","o261","10.1107/S0108270105006438","","","0.71073","MoKα","","0.0609","0.0369","","","0.0827","0.0907","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014916","7.6223","0.0002","16.7937","0.0007","24.49","0.0009","90","","90","","90","","3134.88","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline","","- C21 H17 N3 -","- C21 H17 N3 -","- C168 H136 N24 -","8","1","SK1841","Portilla, Jaime; Quiroga, Jairo; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C—H···N and C—H···π(arene) hydrogen bonds and π‒π stacking interactions","Acta Crystallographica Section C","2005","61","6","o398","o403","10.1107/S0108270105013260","","","0.71073","MoKα","","0.0857","0.0491","","","0.107","0.1209","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014941","19.37","0.01","29.796","0.007","9.91","0.003","90","","90","","90","","5720","4","298","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H54 Cl6 Cu N6 O4 -","- C60 H54 Cl6 Cu N6 O4 -","- C240 H216 Cl24 Cu4 N24 O16 -","4","0.5","TA1482","Akitsu, Takashiro; Einaga, Yasuaki","<i>trans</i>-Bis(2,2-diphenylethylamine-κ<i>N</i>)bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)copper(II) and its chloroform disolvate","Acta Crystallographica Section C","2005","61","4","m183","m186","10.1107/S010827010500209X","","","0.7107","MoKα","","","0.0499","","","","0.1633","","","","","","0.993","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015021","22.751","0.009","14.016","0.006","13.36","0.01","90","","90","","90","","4260","4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua[N,N'-bis(5-methoxysalicylidene)ethylenediaminato- κ^4^O,N,N',O']manganese(III) perchlorate","","- C18 H22 Cl Mn N2 O10 -","- C18 H22 Cl Mn N2 O10 -","- C144 H176 Cl8 Mn8 N16 O80 -","8","1","HJ1056","Akitsu, Takashiro; Takeuchi, Yuiri; Einaga, Yasuaki","Diaqua[<i>N</i>,<i>N</i>'-bis(5-methoxysalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate, aqua[<i>N</i>,<i>N</i>'-bis(3,5-dichlorosalicylidene)ethylenediaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'](methanol-κ<i>O</i>)manganese(III) perchlorate and bis[μ-<i>N</i>,<i>N</i>'-bis(3-methoxysalicylidene)ethylenediaminato-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>]bis[(methanol-κ<i>O</i>)manganese(III)] diperchlorate","Acta Crystallographica Section C","2005","61","7","m324","m328","10.1107/S0108270105013545","","","0.71073","MoKα","","0.0889","0.0559","","","0.1518","0.1738","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015072","10.9576","0.0005","16.8316","0.001","30.2015","0.0017","90","","90","","90","","5570.2","0.5","294","1","294","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4-dimethylsulfido-3-iodo-3-triphenylphosphine-closo-3-pallada- 1,2-dicarbadodecaborane","","- C22 H31 B9 I P Pd S -","- C22 H31 B9 I P Pd S -","- C176 H248 B72 I8 P8 Pd8 S8 -","8","1","SK1861","Ferguson, George; Gallagher, John F.; Kennedy, John D.; O'Connell, Donnacha P.; Patterson, Jennifer C.; Spalding, Trevor R.","Twisted [(<i>R</i>~3~P)Pd<i>X</i>] groups above dicarbaborane ligands: 4-dimethylsulfido-3-iodo-3-triphenylphosphine-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane and 3-dimethylphenylphosphine-3-chloro-4-dimethylsulfido-<i>closo</i>-3-pallada-1,2-dicarbadodecaborane","Acta Crystallographica Section C","2005","61","8","m393","m396","10.1107/S0108270105022286","","","0.71073","MoKα","","0.1083","0.0367","","","0.1112","0.1621","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015113","12.028","0.002","7.428","0.0015","22.062","0.004","90","","90","","90","","1971.1","0.6","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","","- C9 H8 O6 Sr -","- C9 H8 O6 Sr -","- C72 H64 O48 Sr8 -","8","1","BG1021","Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui","Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]","Acta Crystallographica Section C","2005","61","12","m523","m525","10.1107/S0108270105034554","","","0.71073","MoKα","","0.0409","0.0285","","","0.0585","0.0625","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015145","7.924","0.001","13.578","0.002","25.003","0.003","90","","90","","90","","2690.1","0.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]- μ-chloro]","","- C13 H10 Br Cl N2 O Zn -","- C13 H10 Br Cl N2 O Zn -","- C104 H80 Br8 Cl8 N16 O8 Zn8 -","8","1","GA1109","You, Zhong-Lu","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]zinc(II)]-μ-chloro]","Acta Crystallographica Section C","2005","61","10","m456","m458","10.1107/S010827010502932X","","","0.71073","MoKα","","0.1133","0.0561","","","0.1091","0.128","","","","","","1.061","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015230","8.484","0.002","11.5018","0.0018","23.992","0.01","90","","90","","90","","2341.2","1.2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclooctanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.7]dodecane-2,4-dithione","","- C10 H16 N2 S2 -","- C10 H16 N2 S2 -","- C80 H128 N16 S16 -","8","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.1007","0.0571","","","0.1463","0.1743","","","","","","1.016","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2015233","9.595","0.002","8.267","0.002","26.35","0.005","90","","90","","90","","2090.1","0.8","295","2","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","[3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene","","- C20 H28 O4 S2 -","- C20 H28 O4 S2 -","- C80 H112 O16 S8 -","4","0.5","FA1181","Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej","1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene","Acta Crystallographica Section C","2006","62","4","o155","o156","10.1107/S0108270106004999","","","0.71073","MoKα","","0.1014","0.0355","","","0.0897","0.1045","","","","","","0.979","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015294","15.0522","0.001","29.721","0.002","15.3753","0.001","90","","90","","90","","6878.4","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","racemic cis-(2,2'-bipyridyl-κ^2^N,N')oxo(pentane-2,4-dionato- κ^2^O,O')(thiocyanato-κN)vanadium(IV)","","- C16 H15 N3 O3 S V -","- C16 H15 N3 O3 S V -","- C256 H240 N48 O48 S16 V16 -","16","2","FA3005","Kavitha, Savaridasson Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Hydrogen-bonded sheets in racemic <i>cis</i>-(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')oxo(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')(thiocyanato-κ<i>N</i>)vanadium(IV)","Acta Crystallographica Section C","2006","62","5","m177","m179","10.1107/S0108270106008158","","","0.71073","MoKα","","0.0806","0.0526","","","0.1237","0.135","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015296","9.0592","0.0004","10.3156","0.0005","25.0534","0.0012","90","","90","","90","","2341.27","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","10,11-dihydrocarbamazepine","10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","1","FG3005","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.","An orthorhombic polymorph of 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2006","62","5","o240","o242","10.1107/S0108270106008651","","","0.71073","MoKα","","0.0496","0.0416","","","0.1041","0.1084","","","","","","1.085","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015298","20.777","0.003","8.4689","0.0011","33.55","0.005","90","","90","","90","","5903.4","1.4","173","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo- iodoplumbate(II)-di-μ-iodo]]","","- C36 H56 I10 N4 Pb3 -","- C36 H56 I10 N4 Pb3 -","- C144 H224 I40 N16 Pb12 -","4","0.5","FG3008","Billing, David G.; Lemmerer, Andreas","<i>catena</i>-Poly[tetrakis(3-phenylpropylammonium) [iodoplumbate(II)-tri-μ-iodo-plumbate(II)-tri-μ-iodo-iodoplumbate(II)-di-μ-iodo]]","Acta Crystallographica Section C","2006","62","5","m174","m176","10.1107/S0108270106009127","","","0.71073","MoKα","","","0.0494","","","","0.0938","","","","","","1.138","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015332","7.378","0.003","23.875","0.006","23.984","0.006","90","","90","","90","","4225","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","N-(4-chlorophenyl)-5-{[(4-chlorophenyl)amino]methyl}-6-methyl-2- phenylpyrimidin-4-amine","","- C24 H20 Cl2 N4 -","- C24 H20 Cl2 N4 -","- C192 H160 Cl16 N32 -","8","1","SQ3007","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","Two polymorphic forms of <i>N</i>-(4-chlorophenyl)-5-[(4-chlorophenyl)aminomethyl]-6-methyl-2-phenylpyrimidin-4-amine","Acta Crystallographica Section C","2006","62","5","o259","o261","10.1107/S0108270106010390","","","0.71073","MoKα","","0.1301","0.0748","","","0.1317","0.1479","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015360","9.943","0.002","6.4899","0.0018","18.33","0.004","90","","90","","90","","1182.8","0.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[[μ-1,2-bis(1-methyl-1H-tetrazol-5-yl)diazene- κ^4^N',N^4^:N,N^4'^]dicopper(I)]-di-μ-chloro]","","- C4 H6 Cl2 Cu2 N10 -","- C4 H6 Cl2 Cu2 N10 -","- C16 H24 Cl8 Cu8 N40 -","4","0.5","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0435","0.0373","","","0.0894","0.0933","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015494","15.2964","0.0003","17.4366","0.0002","16.832","0.0003","90","","90","","90","","4489.38","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione","","- C27 H23 Cl N2 O2 -","- C27 H23 Cl N2 O2 -","- C216 H184 Cl8 N16 O16 -","8","1","GG3030","Trilleras, Jorge; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-diphenylpentane-1,5-dione: sheets built from C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2006","62","8","o518","o520","10.1107/S0108270106025583","","","0.71073","MoKα","","0.0972","0.0488","","","0.1129","0.1361","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015495","12.8995","0.0006","6.8681","0.0003","26.6419","0.0013","90","","90","","90","","2360.34","0.19","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2005rm01ch01","β-Lapachone","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","GZ3007","Cunha-Filho, Marcilio S. S; Landin, Mariana; Martinez-Pacheco, Ramon; Dacunha-Marinho, Bruno","β-Lapachone","Acta Crystallographica Section C","2006","62","8","o473","o475","10.1107/S0108270106021706","","","1.5418","CuKα","","0.0619","0.061","","","0.1691","0.1703","","","","","","1.117","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015498","8.1427","0.0005","18.3212","0.0014","27.303","0.003","90","","90","","90","","4073.2","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-chloro-bis[chloro(η^6^-p-cymene)ruthenium]‒9H-carbazole (1/2)","","- C44 H46 Cl4 N2 Ru2 -","- C44 H46 Cl4 N2 Ru2 -","- C176 H184 Cl16 N8 Ru8 -","4","0.5","HJ3009","Dinçer, Muharrem; Özdemir, Namık; Dayan, Osman; Çetinkaya, Bekir; Büyükgüngör, Orhan","A μ-chloro-bridged dinuclear ruthenium complex with 9<i>H</i>-carbazole: the formation of one-dimensional linear chains of star-shaped edge-fused rings","Acta Crystallographica Section C","2006","62","8","m346","m348","10.1107/S0108270106020543","","","0.71073","MoKα","","0.0551","0.0314","","","0.0679","0.0725","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015518","6.971","0.001","17.508","0.001","26.905","0.002","90","","90","","90","","3283.7","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C144 H128 Cl8 N24 O8 -","8","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0637","0.048","","","0.1159","0.1259","","","","","","1.041","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015567","10.146","0.0002","7.3091","0.0002","25.1662","0.0007","90","","90","","90","","1866.28","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-dimethyamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.0478","0.033","","0.0467","","0.0371","","","","","","1.1689","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015594","13.8","0.003","14.984","0.003","18.283","0.004","90","","90","","90","","3780.5","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","","- C32 H40 Br6 Fe2 N2 O -","- C32 H40 Br6 Fe2 N2 O -","- C128 H160 Br24 Fe8 N8 O4 -","4","0.5","FA3029","Busi, Sara; Lahtinen, Manu; Sillanpää, Reijo; Rissanen, Kari","A linear Fe‒O‒Fe unit in bis(dibenzyldimethylammonium) μ-oxo-bis[tribromoferrate(III)]","Acta Crystallographica Section C","2006","62","10","m458","m460","10.1107/S0108270106033208","","","0.71073","MoKα","","0.0847","0.0491","","","0.0963","0.1103","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015736","17.3748","0.0005","14.3919","0.0004","18.3124","0.0005","90","","90","","90","","4579.1","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","chloro{diethoxy[2-(diphenylphosphino)phenyl]methane]methylpalladium(II)","","- C24 H28 Cl O2 P Pd -","- C24 H28 Cl O2 P Pd -","- C192 H224 Cl8 O16 P8 Pd8 -","8","1","GD3061","Elsegood, Mark R. J.; Smith, Martin B.; Dale, Sophie H.","Two square-planar palladium(II) complexes with <i>P</i>,<i>O</i>-bidentate hybrid ligands","Acta Crystallographica Section C","2007","63","1","m7","m9","10.1107/S0108270106048530","","","0.71073","MoKα","","0.0267","0.0201","","","0.0499","0.0557","","","","","","1.098","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015763","13.3271","0.0005","12.7054","0.0005","15.7748","0.0006","90","","90","","90","","2671.09","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C104 H96 N32 O32 -","8","1","SK3078","Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K: sheets built from O—H···O, O—H···N, N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","1","o42","o44","10.1107/S0108270106050451","","","0.71073","MoKα","","0.0937","0.0532","","","0.1295","0.1552","","","","","","1.137","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015808","7.6217","0.0006","15.8538","0.0013","16.3696","0.0012","90","","90","","90","","1978","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mesitylnitramine","2,4,6-trimethyl-N-nitroaniline","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","1","HJ3024","Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek","2,4,6-Trimethyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2007","63","2","o126","o128","10.1107/S0108270106055776","","","0.71073","MoKα","","0.1296","0.0462","","","0.1107","0.1417","","","","","","0.981","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015818","7.6865","0.0003","11.0294","0.0008","26.8912","0.0013","90","","90","","90","","2279.8","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","P,P'-di[3-(trimethylsilyl)-1-propyl] ethylenebisphosphonic acid","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate","","- C14 H36 O6 P2 Si2 -","- C14 H36 O6 P2 Si2 -","- C56 H144 O24 P8 Si8 -","4","0.5","SQ3056","McLauchlan, Craig C.; Ziegler, Amanda J.; Sosnowski, Cyndi R.; Herlinger, Albert W.","Bis[3-(trimethylsilyl)propyl] ethylenebisphosphonate, H~2~DTMSP[EBP]","Acta Crystallographica Section C","2007","63","2","o132","o134","10.1107/S0108270106055818","","","0.71073","MoKα","","0.0449","0.0327","","","0.0801","0.0869","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015903","9.5433","0.0002","9.1416","0.0002","21.8652","0.0004","90","","90","","90","","1907.54","0.07","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","metamitron","4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C80 H80 N32 O8 -","8","1","GG3068","Ludvík, Jir̆í; Urban, Jir̆í; Fábry, Jan; Císar̆ová, Ivana","4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (metamitron) and 4-amino-6-methyl-3-phenyl-1,2,4-triazin-5(4<i>H</i>)-one (isometamitron)","Acta Crystallographica Section C","2007","63","4","o259","o262","10.1107/S0108270107009596","","","0.71069","MoKα","","0.0486","0.0388","","","0.0947","0.0993","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016040","11.882","0.007","15.518","0.005","20.637","0.008","90","","90","","90","","3805","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[aquabis(μ~2~-isonicotinato-κ^3^N:O,O')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","","- C18 H15 Cd N4 O5 -","- C72 H60 Cd4 N16 O20 -","- C144 H120 Cd8 N32 O40 -","2","0.25","GD3116","Juan Granifo; Ricardo Baggio","Poly[[aquabis(μ~2~-isonicotinato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>')cadmium(II)] 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hemisolvate]","Acta Crystallographica Section C","2007","63","7","m327","m330","10.1107/S0108270107026698","","","0.71073","MoKα","","0.1573","0.0571","","","0.1446","0.1861","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2016075","10.5281","0.001","7.4585","0.0011","16.341","0.002","90","","90","","90","","1283.2","0.3","100","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-nitro-5-bromo-1H-imidazole","","- C4 H4 Br N3 O2 -","- C4 H4 Br N3 O2 -","- C32 H32 Br8 N24 O16 -","8","1","AV3095","Wagner, Paweł; Świerczek, Krzysztof; Kubicki, Maciej","Crystal packing of two 5-substituted 2-methyl-4-nitro-1<i>H</i>-imidazoles","Acta Crystallographica Section C","2007","63","8","o445","o447","10.1107/S0108270107028922","","","0.71073","MoKα","","0.0611","0.0497","","","0.1289","0.1392","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016113","10.61","0.0003","12.1878","0.0004","20.522","0.002","90","","90","","90","","2653.8","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(2,4-dinitrophenylhydrazono)butanoate","","- C11 H12 N4 O6 -","- C11 H12 N4 O6 -","- C88 H96 N32 O48 -","8","1","SK3141","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Cyclic and acyclic products from the reactions between methyl 3-oxobutanoate and arylhydrazines","Acta Crystallographica Section C","2007","63","8","o462","o467","10.1107/S0108270107029447","","","0.71073","MoKα","","0.0655","0.0443","","","0.1053","0.1158","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016139","9.121","0.007","8.714","0.006","13.18","0.009","90","","90","","90","","1047.6","1.3","200","2","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium tetrafluoridoborate","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","FA3102","Bunic̆, Tina; Tavc̆ar, Gas̆per; Goreshnik, Evgeny; Z̆emva, Boris","Strontium tetrafluoridoborate and barium tetrafluoridoborate","Acta Crystallographica Section C","2007","63","9","i75","i76","10.1107/S0108270107036864","","","0.71069","MoKα","","0.0498","0.046","","","0.1487","0.153","","","","","","1.086","","","","has coordinates,has Fobs","282533","2023-04-10","15:17:41",""
"2016198","6.3357","0.0009","15.523","0.0002","25.3654","0.0006","90","","90","","90","","2494.7","0.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-methoxy-3,3-dimethyl-3H-benzo[f]chromene","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","GG3118","Silva, Fernando de C. da; Wardell, James L.; Wardell, Solange M. S. V.; Ferreira, Vitor F.; Low, John N.; Glidewell, Christopher","π-Stacked dimers in 6-methoxy-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene, and centrosymmetric dimers containing C—H···π(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2<i>H</i>,6<i>H</i>-1,5-dioxatriphenylene","Acta Crystallographica Section C","2007","63","10","o568","o571","10.1107/S0108270107039194","","","0.71073","MoKα","","0.065","0.0397","","","0.0983","0.1079","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016215","21.347","0.004","14.852","0.003","25.087","0.005","90","","90","","90","","7954","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Aqua-2κO-μ-{N,N'-bis[2-(dimethylamino)ethyl]oxamidato(2-)}- 1κ^2^O,O':2κ^4^N,N',N'',N'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^N,N')- copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C34.5 H40 Cl2 Cu N8 Ni O11.5 -","- C276 H320 Cl16 Cu8 N64 Ni8 O92 -","8","1","SF3053","Sun, Wei; Li, Yan-Tuan; Wu, Zhi-Yong; Liu, Jin-Liang","Aqua-2κ<i>O</i>-μ-{<i>N</i>,<i>N</i>'-bis[2-(dimethylamino)ethyl]oxamidato(2‒)}-1κ^2^<i>O</i>,<i>O</i>':2κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-bis(4,4'-dimethyl-2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')copper(II)nickel(II) bis(perchlorate) methanol hemisolvate","Acta Crystallographica Section C","2007","63","10","m462","m464","10.1107/S0108270107042643","","","0.71073","MoKα","","0.0991","0.0503","","","0.1345","0.1855","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","194546","2020-10-21","18:00:00",""
"2016235","9.717","0.002","10.575","0.003","33.772","0.008","90","","90","","90","","3470.3","1.5","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-trichloro-N,N'-bis(4-methoxyphenyl)ethane-1,1-diamine","","- C16 H17 Cl3 N2 O2 -","- C16 H17 Cl3 N2 O2 -","- C128 H136 Cl24 N16 O16 -","8","1","BM3036","Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu","Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine","Acta Crystallographica Section C","2007","63","11","o622","o625","10.1107/S0108270107041546","","","0.71073","MoKα","","0.0612","0.0459","","","0.1005","0.1089","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016269","17.5731","0.0014","9.651","0.0008","22.7965","0.0019","90","","90","","90","","3866.2","0.5","105","2","105","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[4-(4-acetanilido-trans-1,3-butadienyl)-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene]propanedinitrile","2-{4-[4-(N-Formylanilino)-trans-1,3-butadienyl]-3-cyano-5,5-dimethyl-2,5-\ dihydrofuranylidene}propanedinitrile","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C176 H144 N32 O16 -","8","1","JZ3086","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","Geometry and bond-length alternation in nonlinear optical materials. I. Standard parameters in two precursors","Acta Crystallographica Section C","2007","63","11","o633","o637","10.1107/S0108270107046033","","","0.71073","MoKα","","0.1147","0.0471","","","0.0882","0.1133","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016310","12.9325","0.0017","6.7317","0.0009","17.018","0.002","90","","90","","90","","1481.5","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[diaquamanganese(II)]-μ~3~-2-oxo-4-oxido-1,2-dihydropyrimidine- 5-carboxylato-κ^4^O^4^,O^5^:O^2^:O^2^]","","- C5 H6 Mn N2 O6 -","- C5 H6 Mn N2 O6 -","- C40 H48 Mn8 N16 O48 -","8","1","DN3069","Chen, Zilu; Xing, Huihui; Liang, Fupei","Poly[[diaquamanganese(II)]-μ~3~-4-oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^4^<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^2^:<i>O</i>^2^]","Acta Crystallographica Section C","2007","63","12","m576","m578","10.1107/S0108270107053875","","","0.71073","MoKα","","0.0301","0.0239","","","0.059","0.0625","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016346","7.6402","0.0015","11.775","0.002","26.927","0.005","90","","90","","90","","2422.4","0.8","153","2","153","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","[2.2.2](1,2,4)cyclophan-9-ene","","- C18 H16 -","- C18 H16 -","- C144 H128 -","8","1","LN3070","Broschinski, Klaus; Kannan, Arunachalam; Jones, Peter G.; Dix, Ina; Hopf, Henning","The `cyclophene' [2.2.2](1,2,4)cyclophan-9-ene","Acta Crystallographica Section C","2007","63","12","o711","o713","10.1107/S0108270107050937","","","0.71073","MoKα","","0.091","0.0543","","","0.1282","0.1501","","","","","","1.102","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016349","7.6382","0.0007","14.9272","0.0015","40.857","0.004","90","","90","","90","","4658.4","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyl N,N-bis[2-(pentafluoroanilino)ethyl]carbamate","","- C24 H17 F10 N3 O2 -","- C24 H17 F10 N3 O2 -","- C192 H136 F80 N24 O16 -","8","1","SF3060","Churakov, Andrei V.; Karlov, Sergey S.; Lermontova, Elmira Kh.; Zaitseva, Galina S.; Howard, Judith A. K.","Benzyl <i>N</i>,<i>N</i>-bis[2-(pentafluoroanilino)ethyl]carbamate","Acta Crystallographica Section C","2007","63","12","o761","o762","10.1107/S0108270107057939","","","0.71073","MoKα","","0.0722","0.0481","","","0.0947","0.1021","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016365","17.2484","0.0002","18.0383","0.0003","18.7816","0.0003","90","","90","","90","","5843.55","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tetrakis(μ-2,3-dihydro-1,3-benzothiazole-2-thiolato)-κ^6^N:S;κ^2^S:N- dipalladium(II)(Pd—Pd) dichloromethane solvate","","- C29 H18 Cl2 N4 Pd2 S8 -","- C28 H16 N4 Pd2 S8 -","- C224 H128 N32 Pd16 S64 -","8","1","TR3019","Vuoti, Sauli; Haukka, Matti; Pursiainen, Jouni","Two isomers of Pd~2~(S~2~NC~7~H~4~)~4~","Acta Crystallographica Section C","2007","63","12","m601","m603","10.1107/S0108270107052353","","","0.71073","MoKα","","0.047","0.0363","","","0.0882","0.0952","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016430","10.8828","0.0002","11.4746","0.0002","20.9073","0.0004","90","","90","","90","","2610.82","0.08","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(2,2,2-trinitroethyl)carbonate","bis(2,2,2-trinitroethyl) carbonate","","- C5 H4 N6 O15 -","- C5 H4 N6 O15 -","- C40 H32 N48 O120 -","8","1","GD3179","Göbel, Michael; Thomas M. Klapötke","Exceeding the oxygen content of liquid oxygen: bis(2,2,2-trinitroethyl) carbonate","Acta Crystallographica Section C","2008","64","2","o58","o60","10.1107/S0108270107066632","","","0.71073","MoKα","","0.0445","0.0272","","","0.0617","0.0681","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016436","10.3214","0.0016","16.474","0.002","23.812","0.002","90","","90","","90","","4048.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[μ-6,6'-dimethoxy-2,2'-[propane-1,2-\ diylbis(iminomethylene)]diphenolato]bis[aquacopper(II)] dihydrate","","- C38 H56 Cu2 N4 O12 -","- C38 H56 Cu2 N4 O12 -","- C152 H224 Cu8 N16 O48 -","4","0.5","HJ3052","Liu, Y.-F.; Xia, H.-T.; Yang, Shu-Ping; Wang, Da-Qi","Bis{μ-6,6'-dimethoxy-2,2'-[propane-1,2-diylbis(iminomethylene)]diphenolato}bis[aquacopper(II)] dihydrate","Acta Crystallographica Section C","2008","64","2","m91","m93","10.1107/S0108270107049311","","","0.71073","MoKα","","0.0817","0.0421","","","0.0957","0.1176","","","","","","1.004","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2016471","12.46443","0.00001","11.02991","0.00007","21.60929","0.00004","90","","90","","90","","2970.88","0.02","110","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","","- C13 H18 N4 O3 S -","- C13 H18 N4 O3 S -","- C104 H144 N32 O24 S8 -","8","1","TR3035","Lutz, Martin; Spek, Anthony L.; Geer, Erwin P. L. van der; Koten, Gerard van; Klein Gebbink, Robertus J. M.","Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate","Acta Crystallographica Section C","2008","64","2","o87","o90","10.1107/S0108270108000668","","","0.71073","MoKα","","0.0381","0.0195","","","","0.0107","","","","","","2.0292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016498","14.0965","0.0015","6.7602","0.0007","43.091","0.005","90","","90","","90","","4106.4","0.8","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(phenylazo)anilinium hydrogen 5-nitroisophthalate monohydrate","4-(phenyldiazenyl)anilinium 3-carboxy-5-nitrobenzoate monohydrate","","- C20 H18 N4 O7 -","- C20 H18 N4 O7 -","- C160 H144 N32 O56 -","8","1","GZ3114","Smith, Graham; Wermuth, Urs D.; Young, David J.; White, Jonathan M.","The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids","Acta Crystallographica Section C","2008","64","3","o123","o127","10.1107/S0108270108001595","","","0.71073","MoKα","","0.106","0.0846","","","0.204","0.2109","","","","","","1.222","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016500","8.9779","0.0001","11.4442","0.0002","15.0673","0.0003","90","","90","","90","","1548.09","0.04","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","calcium pentamolybdenum titanium decaoxide","","- Ca Mo5.38 O10 Ti0.62 -","- Ca Mo5.382 O10 Ti0.618 -","- Ca8 Mo43.056 O80 Ti4.944 -","8","1","IZ3044","Gougeon, P.; Gall, P.","The disordered cluster compound CaMo~5~(Mo~0.38~Ti~0.62~)O~10~","Acta Crystallographica Section C","2008","64","3","i30","i32","10.1107/S0108270108002989","","","0.71069","MoKα","","0.0675","0.0354","","","0.0496","0.0568","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016518","10.1632","0.0007","23.6753","0.0016","34.339","0.002","90","","90","","90","","8262.5","0.9","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(trans-2-phenylethenyl) sulfone","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C384 H336 O48 S24 -","24","3","SK3201","Wong, Jessica H.; Olmstead, Marilyn M.; Fettinger, James C.; Gervay-Hague, Jacquelyn","Vinyl sulfones","Acta Crystallographica Section C","2008","64","3","o132","o136","10.1107/S0108270108002692","","","0.71073","MoKα","","0.0954","0.0507","","","0.1188","0.1353","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016565","16.8649","0.0008","16.5864","0.0009","7.4838","0.0004","90","","90","","90","","2093.43","0.19","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]","","- C7 H10 Ag N3 O3 -","- C7 H10 Ag N3 O3 -","- C56 H80 Ag8 N24 O24 -","8","1","SK3191","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-nitrato-silver(I)]: a powder study","Acta Crystallographica Section C","2008","64","4","m170","m172","10.1107/S0108270108005143","","","1.5406","CuKα1","","0.0252","0.0251","","","0.0164","0.0164","","","1.27","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016567","9.7056","0.0019","8.6794","0.0017","17.89","0.004","90","","90","","90","","1507","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","δ-Sulfanilamide","4-aminobenzenesulfonamide","","- C6 H8 N2 O2 S -","- C6 H8 N2 O2 S -","- C48 H64 N16 O16 S8 -","8","1","SK3211","Gelbrich, Thomas; Bingham, Ann L.; Threlfall, Terence L.; Hursthouse, Michael B.","δ-Sulfanilamide","Acta Crystallographica Section C","2008","64","4","o205","o207","10.1107/S0108270108005696","","","0.71073","MoKα","","0.0666","0.0415","","","0.097","0.106","","","","","","0.997","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016579","17.536","0.005","8.016","0.002","22.814","0.008","90","","90","","90","","3206.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-hydroxy-N'-(3-phenylprop-2-enylidene)benzohydrazidato- κ^2^N,O]bis(methanol-κO)nickel(II)","","- C34 H34 N4 Ni O6 -","- C34 H34 N4 Ni O6 -","- C136 H136 N16 Ni4 O24 -","4","0.5","BM3048","Xue, Mei-Xiang; Liu, Shi-Xiong","Bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(methanol-κ<i>O</i>)nickel(II) and bis[2-hydroxy-<i>N</i>'-(3-phenylprop-2-enylidene)benzohydrazidato-κ^2^<i>N</i>',<i>O</i>]bis(pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section C","2008","64","5","m190","m193","10.1107/S0108270108006240","","","0.71073","MoKα","","0.051","0.0354","","","0.0933","0.1019","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016597","7.435","0.002","16.006","0.006","22.061","0.007","90","","90","","90","","2625.4","1.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-[N-(4-chlorophenyl)carbamoyl]benzenesulfonamide","","- C13 H11 Cl N2 O3 S -","- C13 H11 Cl N2 O3 S -","- C104 H88 Cl8 N16 O24 S8 -","8","1","HJ3069","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Khan, Islam Ullah; Siddiqui, Hamid Latif; Parvez, Masood","2-[<i>N</i>-(<i>X</i>-Chlorophenyl)carbamoyl]benzenesulfonamide (with <i>X</i> = 2 and 4)","Acta Crystallographica Section C","2008","64","5","o286","o289","10.1107/S0108270108009530","","","0.71073","MoKα","","0.0833","0.0449","","","0.1024","0.1218","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016643","18.326","0.003","10.3875","0.0014","8.2618","0.0012","90","","90","","90","","1572.7","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-phenyl-1-pyrroline","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole","","- C10 H11 N -","- C10 H11 N -","- C80 H88 N8 -","8","1","HJ3072","Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","5-Phenyl-3,4-dihydro-2<i>H</i>-pyrrole: the first example of a planar monosubstituted 1-pyrroline","Acta Crystallographica Section C","2008","64","6","o303","o305","10.1107/S0108270108011360","","","0.71073","MoKα","","0.0531","0.0422","","","0.1128","0.1202","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016660","14.8903","0.0013","13.9907","0.0012","17.1961","0.0015","90","","90","","90","","3582.4","0.5","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(4-aminonaphthalene-1-sulfonato-κ<i>O</i>)bis(4,5-diazafluorene-9- one-κ^2^N,N')copper(II)","","- C42 H28 Cu N6 O8 S2 -","- C42 H28 Cu N6 O8 S2 -","- C168 H112 Cu4 N24 O32 S8 -","4","0.5","BG3074","Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun","Two novel mixed-ligand complexes containing organosulfonate ligands","Acta Crystallographica Section C","2008","64","7","m250","m253","10.1107/S0108270108016041","","","0.71073","MoKα","","0.0457","0.0332","","","0.0896","0.0981","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016684","10.2295","0.0002","8.0212","0.0001","32.1141","0.0005","90","","90","","90","","2635.05","0.07","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0621","0.0458","","","0.1276","0.1436","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016685","10.044","0.0011","7.899","0.0008","32.011","0.003","90","","90","","90","","2539.7","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0466","0.0384","","","0.0986","0.1026","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016686","10.0654","0.0005","7.9069","0.0004","31.9971","0.0017","90","","90","","90","","2546.5","0.2","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0436","0.0377","","","0.0915","0.0937","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016687","10.0248","0.001","7.8879","0.0008","32.162","0.003","90","","90","","90","","2543.2","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2,2'-diazenediyldiphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dimethylsilicon","","- C14 H14 N2 O2 Si -","- C14 H14 N2 O2 Si -","- C112 H112 N16 O16 Si8 -","8","1","LN3102","Böhme, Uwe; Jähnigen, Sandra","Dynamic disorder in a pentacoordinate silicon complex with 2,2'-diazenediyldiphenol","Acta Crystallographica Section C","2008","64","7","o364","o366","10.1107/S0108270108016193","","","0.71073","MoKα","","0.0368","0.0323","","","0.0826","0.0851","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016703","17.0144","0.0008","18.2738","0.0009","17.1713","0.0009","90","","90","","90","","5338.9","0.5","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","cyclo-bis[μ~2~-bis(diphenylphosphino)amine]di-μ~3~-sulfanido-di-μ~2~- sulfanido-tetracopper(I) methanol disolvate","","- C50 H54 Cu4 N2 O2 P4 S4 -","- C50 H50 Cu4 N2 O2 P4 S4 -","- C200 H200 Cu16 N8 O8 P16 S16 -","4","0.5","EM3015","Zhao, Wen-Na; Han, Lei; Luo, Cheng-Cai","A novel tetranuclear copper(I) sulfanide complex with bis(diphenylphosphino)amine","Acta Crystallographica Section C","2008","64","8","m280","m282","10.1107/S0108270108018404","","","0.71073","MoKα","","0.148","0.0864","","","0.1495","0.1742","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016799","11.6394","0.0015","11.5736","0.0015","30.782","0.004","90","","90","","90","","4146.6","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","FA3167","Cruz, Silvia; Quiroga, Jairo; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","9-Benzoyl-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione: molecular conformation and supramolecular aggregation in xanthenediones","Acta Crystallographica Section C","2008","64","10","o554","o557","10.1107/S0108270108029181","","","0.71073","MoKα","","0.1215","0.0531","","","0.1185","0.1439","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016843","12.9699","0.0004","15.2714","0.0005","16.6176","0.0006","90","","90","","90","","3291.42","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3- dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C136 H128 N16 O32 S8 -","8","1","SF3092","Karczmarzyk, Zbigniew","Keto‒enol tautomerism in crystals of 3-[hydroxy(phenyl)methyl]-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide and 3-(1-hydroxyethylidene)-2,5,7-trimethyl-2,3-dihydropyrido[3,2-<i>e</i>][1,2]thiazin-4-one 1,1-dioxide","Acta Crystallographica Section C","2008","64","11","o590","o594","10.1107/S010827010803206X","","","0.71073","MoKα","","0.0454","0.0386","","","0.1213","0.1289","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016848","8.993","0.004","13.882","0.009","16.506","0.004","90","","90","","90","","2060.6","1.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Diiodo-4,5-dimethoxybenzene","","- C8 H8 I2 O2 -","- C8 H8 I2 O2 -","- C64 H64 I16 O16 -","8","1","UK3001","Cukiernik, Fabio D.; Zelcer, Andrés; Garland, Maria Teresa; Baggio, Ricardo","Halogen bonding in 1,2-dibromo-4,5-dimethoxybenzene and 1,2-diiodo-4,5-dimethoxybenzene","Acta Crystallographica Section C","2008","64","11","o604","o608","10.1107/S010827010803309X","","","0.71073","MoKα","","0.0752","0.0419","","","0.1029","0.1083","","","","","","1.411","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016850","11.953","0.002","11.146","0.002","13.914","0.003","90","","90","","90","","1853.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-pyridone","","- C5 H5 N O -","- C5 H5 N O -","- C80 H80 N16 O16 -","16","2","AV3155","Tyl, Aleksandra; Nowak, Maria; Kusz, Joachim","Two polymorphs of anhydrous 4-pyridone at 100K","Acta Crystallographica Section C","2008","64","12","o661","o664","10.1107/S0108270108033660","","","0.71073","MoKα","","0.0462","0.0372","","","0.1043","0.111","","","","","","0.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016883","13.577","0.0017","17.476","0.003","26.67","0.003","90","","90","","90","","6328","1.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-<i>tert</i>-butyl-4',4'-dimethyl-1-phenyl-7-(3,4,5-trimethoxybenzyl)- 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'- cyclohexane-2',6'-dione ethanol 0.67-solvate","","- C34.34 H45.02 N3 O5.67 -","- C34.34 H45.02 N3 O5.67 -","- C274.72 H360.16 N24 O45.36 -","8","1","SK3276","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","Four <i>N</i>^7^-alkoxybenzyl-substituted 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-spiro-1'-cyclohexane-2',6'-diones: hydrogen-bonded supramolecular structures in zero, one, two or three dimensions","Acta Crystallographica Section C","2008","64","12","o665","o670","10.1107/S0108270108038778","","","0.71073","MoKα","","0.13","0.0866","","","0.1877","0.2056","","","","","","1.165","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016887","9.3198","0.0004","10.3218","0.0003","26.2663","0.001","90","","90","","90","","2526.74","0.16","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","chlorpropamide, δ-form","4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C80 H104 Cl8 N16 O24 S8 -","8","1","TR3050","Drebushchak, Tatiana N.; Chukanov, Nikita V.; Boldyreva, Elena V.","Two polymorphs of chlorpropamide: the δ-form and the high-temperature ε-form","Acta Crystallographica Section C","2008","64","12","o623","o625","10.1107/S0108270108034550","","","1.5418","CuKα","","0.0984","0.0615","","","0.1499","0.1692","","","","","","0.925","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016898","12.314","0.004","10.274","0.003","14.422","0.004","90","","90","","90","","1824.6","0.9","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-4-oxo-3H,5H-6-imidazo[3,4-b]-[1,2,4]triazepinecarbonitrile","","- C8 H7 N5 O -","- C8 H7 N5 O -","- C64 H56 N40 O8 -","8","1","AL1045","Booth, B. L.; Pritchard, R. G.; Freitas, A. P.; Proença, M. F. J. R. P.","2-Methyl-4-oxo-3<i>H</i>,5<i>H</i>-6-imidazo[3,4-<i>b</i>][1,2,4]triazepinecarbonitrile: condensation product of a β-keto ester with 1,5-diamino-4-imidazolecarbonitrile under basic conditions","Acta Crystallographica Section C","1993","49","9","1693","1694","10.1107/S0108270193002896","","","0.71069","MoKα","","","0.0437","","","0.0425","","","","","1.148","1.148","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2016933","13.7971","0.0005","8.5744","0.0003","28.1906","0.001","90","","90","","90","","3335","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,12-dibromodibenzo[<i>f</i>,<i>k</i>]-1,5-dioxa-1,2,3,4,5,8,9,10- octahydrocyclododecene","7,19-dibromo-11,15-dioxatricyclo[14.4.0.0^5,10^]icosaa-5,7,9,16,18,20-hexaene","","- C18 H18 Br2 O2 -","- C18 H18 Br2 O2 -","- C144 H144 Br16 O16 -","8","1","SK3262","Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M.","Two similar dibenzo cyclic ethers with dissimilar conformations","Acta Crystallographica Section C","2009","65","1","o27","o30","10.1107/S0108270108040882","","","0.71073","MoKα","","0.0894","0.0396","","","0.08","0.0997","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016935","9.6912","0.0002","8.3829","0.0002","30.1907","0.0008","90","","90","","90","","2452.7","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","","- C9 H16 N4 O3 S -","- C9 H16 N4 O3 S -","- C72 H128 N32 O24 S8 -","8","1","SK3272","Shishkina, Svetlana V.; Zubatyuk, Roman I.; Kucherenko, Lyudmila I.; Mazur, Ivan A.; Shishkin, Oleg V.","Two polymorphs of morpholin-4-ium 2-(5-methyl-1<i>H</i>-1,2,4-triazol-3-ylsulfanyl)acetate","Acta Crystallographica Section C","2009","65","1","o24","o26","10.1107/S0108270108042042","","","0.71073","MoKα","","0.0693","0.034","","","0.0755","0.0868","","","","","","0.915","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016948","13.7359","0.0011","18.566","0.0016","21.1782","0.0018","90","","90","","90","","5400.9","0.8","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-poly[chloridotris(ethylenediamine-κ^2^N,N')samarium(III) [indium(III)-di-μ-tellurido-indium(III)-di-μ-tellurido]]","","- C8 H32 Cl In2 N8 Sm Te4 -","- C8 H32 Cl In2 N8 Sm Te4 -","- C64 H256 Cl8 In16 N64 Sm8 Te32 -","8","1","EM3020","Li, Chun-Ying; Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Dai, Jie","{[SmCl(en)~4~][In~2~Te~4~]}~<i>n~</i>: an indium telluride with a one-dimensional sinusoidal chain","Acta Crystallographica Section C","2009","65","2","m100","m102","10.1107/S010827010803521X","","","0.71073","MoKα","","0.0654","0.0566","","","0.0985","0.1014","","","","","","1.293","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016966","11.799","0.0005","23.368","0.002","25.13","0.0011","90","","90","","90","","6928.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-chlorido(phenyl)bis(triphenylphosphine)nickel(II)","","- C42 H35 Cl Ni P2 -","- C42 H35 Cl Ni P2 -","- C336 H280 Cl8 Ni8 P16 -","8","1","GD3267","Li, Lidong; Gomes, Clara S. B.; Figueira, Cláudia A.; Gomes, Pedro T.; Duarte, M. Teresa","<i>trans</i>-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2009","65","2","m110","m114","10.1107/S0108270109002492","","","0.71073","MoKα","","0.0876","0.0415","","","0.0778","0.088","","","","","","0.966","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016982","14.2061","0.0002","13.444","0.0002","14.5341","0.0002","90","","90","","90","","2775.82","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","quinolin-6-ol","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","2","SK3283","Michta, Anna; Nowak, Maria; Kusz, Joachim","Quinolin-6-ol at 100K","Acta Crystallographica Section C","2009","65","2","o66","o69","10.1107/S010827010900047X","","","0.71073","MoKα","","0.0873","0.0439","","","0.0953","0.1017","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017013","16.1168","0.0002","17.1119","0.0002","7.68115","0.00007","90","","90","","90","","2118.38","0.04","298","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","","- C7 H10 Ag I N2 -","- C7 H10 Ag I N2 -","- C56 H80 Ag8 I8 N16 -","8","1","GT3002","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Powder study of poly[(μ~2~-2,2-dimethylpropane-1,3-diyl diisocyanide)-μ~2~-iodido-silver(I)]","Acta Crystallographica Section C","2009","65","3","m135","m138","10.1107/S0108270109004661","","","1.5406","CuKα1","","","","","","","","","","1.24","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017042","8.735","0.0017","10.832","0.002","18.769","0.004","90","","90","","90","","1775.9","0.6","298.15","","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibarium dititanium difluoride dioxide heptaoxidodisilicate","","- Ba2 F2 O9 Si2 Ti2 -","- Ba2 F2 O9 Si2 Ti2 -","- Ba16 F16 O72 Si16 Ti16 -","8","1","FN3013","Mann, Matthew; Kolis, Joseph","Ba~2~Ti~2~Si~2~O~9~F~2~, a new titanium silicate","Acta Crystallographica Section C","2009","65","4","i17","i19","10.1107/S0108270109007677","","","0.71073","MoKα","","0.0271","0.026","","","0.0577","0.0582","","","","","","1.408","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017045","9.1439","0.0007","20.7113","0.0018","21.598","0.002","90","","90","","90","","4090.3","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>tert</i>-butyl 2-[1-hydroxy-3-(methoxycarbonyl)propyl]-3-(2-nitrophenyl)-5-oxo-2,5-dihydro- 1<i>H</i>-pyrrole-1-carboxylate","","- C20 H24 N2 O8 -","- C20 H24 N2 O8 -","- C160 H192 N16 O64 -","8","1","GA3120","Vallat, Olivier; Buciumas, Ana-Maria; Neier, Reinhard; Stoeckli-Evans, Helen","5-Hydroxyalkyl derivatives of <i>tert</i>-butyl 2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction","Acta Crystallographica Section C","2009","65","4","o171","o175","10.1107/S0108270109008877","","","0.71073","MoKα","","0.0729","0.0439","","","0.0993","0.1097","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017059","19.28","0.003","21.358","0.004","27.67","0.005","90","","90","","90","","11394","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)- 26,28-bis(2-pyridylmethoxy)calix[4]arene","","- C60 H68 Cl2 N2 O6 -","- C60 H68 Cl2 N2 O6 -","- C480 H544 Cl16 N16 O48 -","8","1","LN3123","Zhao, Mei; Zhang, Xin-Yan; Ma, Jian-Ping; Huang, Ru-Qi; Guo, Dian-Shun","Self-inclusion structure of 5,11,17,23-tetrakis(azidomethyl)-25,26,27,28-tetrahydroxycalix[4]arene, and 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-bis(chloroacetoxy)-26,28-bis(2-pyridylmethoxy)calix[4]arene","Acta Crystallographica Section C","2009","65","4","o186","o190","10.1107/S0108270109010609","","","0.71073","MoKα","","0.1148","0.0654","","","0.1637","0.1921","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017062","9.7758","0.0016","9.8211","0.0014","33.174","0.003","90","","90","","90","","3185","0.7","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2RS,4SR)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro- 1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C20 H15 Br Cl N O -","- C20 H15 Br Cl N O -","- C160 H120 Br8 Cl8 N8 O8 -","8","1","SK3295","Palma, Alirio; Bahsas, Ali; Yépes, Andrés F.; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","(2<i>R</i>,4<i>S</i>)-7-Bromo-2-phenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine, (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(4-chlorophenyl-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine and (2<i>RS</i>,4<i>SR</i>)-2-(4-fluorophenyl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine: hydrogen-bonded structures in two and three dimensions","Acta Crystallographica Section C","2009","65","4","o140","o145","10.1107/S0108270109005265","","","0.71073","MoKα","","0.0751","0.0424","","","0.0772","0.0877","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017082","5.5071","0.0011","11.094","0.002","19.438","0.004","90","","90","","90","","1187.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-trihydro(isopropoxy)borato]sodium(I)]","","- C3 H10 B Na O -","- C3 H10 B Na O -","- C24 H80 B8 Na8 O8 -","8","1","DN3110","Gainsford, Graeme J.; Kemmitt, Tim; Jameson, Geoffrey B.; Telfer, Shane G.","The first example of a mixed alkoxide hydride of boron: sodium boron isopropoxide trihydride","Acta Crystallographica Section C","2009","65","5","m180","m181","10.1107/S010827010901172X","","","1.54178","CuKα","","0.0788","0.0703","","","0.1851","0.1938","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017105","11.548","0.004","8.479","0.002","37.184","0.01","90","","90","","90","","3640.9","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(morpholine)[<i>N</i>'-(5-nitro-2-oxidobenzylidene)benzohydrazidato]nickel(II)","","- C18 H18 N4 Ni O6 -","- C18 H18 N4 Ni O6 -","- C144 H144 N32 Ni8 O48 -","8","1","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0548","0.0375","","","0.0805","0.0881","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017106","17.004","0.005","11.13","0.004","18.59","0.005","90","","90","","90","","3518.2","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[μ-<i>N</i>'-(5-nitro-2- oxidobenzylidene)benzohydrazidato]bis[(morpholine)zinc(II)","","- C36 H38 N6 O8 Zn2 -","- C36 H38 N6 O8 Zn2 -","- C144 H152 N24 O32 Zn8 -","4","0.5","MX3009","Chen, Xiao-Hua; Wu, Qiong-Jie; Liang, Zhi-Yu; Zhan, Chun-Rong; Liu, Jian-Bin","Nickel and zinc complexes with a monodentate heterocycle and tridentate Schiff base ligands: self-assembly to one- and two-dimensional supramolecular networks <i>via</i> hydrogen bonding","Acta Crystallographica Section C","2009","65","5","m190","m194","10.1107/S0108270109011263","","","0.71073","MoKα","","0.0886","0.0491","","","0.1275","0.1377","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017123","7.3308","0.0001","12.7832","0.0003","28.0416","0.0006","90","","90","","90","","2627.81","0.09","296","","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-\ tetrathiapentalen-2-one","","- C9 H2 O S8 -","- C9 H2 O S8 -","- C72 H16 O8 S64 -","8","1","SK3310","Chen, Hong-Feng; Fang, Qi; Yu, Wen-Tao; Batsanov, Andrei S.; Howard, Judith A. K.","5-(4,5-Ethylenedithio-1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalen-2-one (EDTO‒TTP) and 5-[4,5-(ethene-1,2-diyldithio)-1,3-dithiol-2-ylidene]-1,3,4,6-tetrathiapentalen-2-one (VDTO‒TTP)","Acta Crystallographica Section C","2009","65","5","o198","o201","10.1107/S0108270109011470","","","0.71073","MoKα","","0.0375","0.0269","","","0.0653","0.0703","","","","","","1.096","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017158","18.2543","0.0017","19.8942","0.0018","20.7455","0.0019","90","","90","","90","","7533.8","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","","- C24 H40 Cu N14 O16 -","- C24 H40 Cu N14 O16 -","- C192 H320 Cu8 N112 O128 -","8","1","SQ3191","Wang, Hai-Ying; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","<i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4-amino-3,5-di-3-pyridyl-4<i>H</i>-1,2,4-triazole] sulfate monohydrate] and poly[[bis(μ-4-amino-3,5-di-4-pyridyl-4<i>H</i>-1,2,4-triazole)diaquacopper(II)] dinitrate octahydrate]","Acta Crystallographica Section C","2009","65","6","m211","m214","10.1107/S0108270109015066","","","0.71073","MoKα","","0.0477","0.0362","","","0.089","0.0963","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017246","9.111","0.002","18.83","0.004","23.754","0.005","90","","90","","90","","4075.2","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazole acetonitrile solvate","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C184 H144 N32 O16 -","8","1","GG3195","Yanover, Diana; Kaftory, Menahem","Structural comparisons between methylated and unmethylated nitrophenyl lophines","Acta Crystallographica Section C","2009","65","8","o365","o370","10.1107/S0108270109022203","","","0.71073","MoKα","","0.1536","0.0469","","","0.086","0.1058","","","","","","0.814","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017258","8.981","0.003","24.056","0.008","10.895","0.003","90","","90","","90","","2353.8","1.3","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","SK3330","Bakowicz, Julia; Turowska-Tyrk, Ilona","2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal","Acta Crystallographica Section C","2009","65","8","o377","o380","10.1107/S0108270109025451","","","0.71073","MoKα","","0.123","0.0629","","","0.1285","0.1584","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017303","10.7959","0.0011","14.2116","0.0016","17.4303","0.0011","90","","90","","90","","2674.3","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-bromo-2-thienyl)-7-chloro- 2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C14 H11 Br Cl N O S -","- C14 H11 Br Cl N O S -","- C112 H88 Br8 Cl8 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1156","0.0499","","","0.0625","0.0763","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017304","8.3789","0.0012","9.6964","0.0014","30.952","0.004","90","","90","","90","","2514.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>RS</i>,4<i>SR</i>)-2-<i>exo</i>-(5-methyl-2-thienyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C15 H15 N O S -","- C15 H15 N O S -","- C120 H120 N8 O8 S8 -","8","1","GG3212","Blanco, Maria C.; Palma, Alirio; Bahsas, Ali; Cobo, Justo; Glidewell, Christopher","Different hydrogen-bonded structures in three 2-thienyl-substituted tetrahydro-1,4-epoxy-1-benzazepines","Acta Crystallographica Section C","2009","65","9","o487","o491","10.1107/S0108270109031199","","","0.71073","MoKα","","0.1127","0.0503","","","0.0964","0.1213","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017308","8.5031","0.0015","11.387","0.002","14.075","0.003","90","","90","","90","","1362.8","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-difluorophenyl)formamide","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C56 H40 F16 N8 O8 -","8","1","GZ3168","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide","Acta Crystallographica Section C","2009","65","9","o470","o475","10.1107/S0108270109032004","","","0.71073","MoKα","","","0.0372","","","","0.0999","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017365","20.955","0.004","11.282","0.002","24.166","0.005","90","","90","","90","","5713.2","1.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~- thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","","- C7 H9 Ag N4 S -","- C7 H9 Ag N4 S -","- C168 H216 Ag24 N96 S24 -","24","3","SQ3210","Luo, Geng-Geng; Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Two novel silver(I) coordination polymers: poly[(μ~2~-2-aminopyrimidine-κ^2^<i>N</i>^1^:<i>N</i>^3^)bis(μ~3~-thiocyanato-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)disilver(I)] and poly[(2-amino-4,6-dimethylpyrimidine-κ<i>N</i>)(μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section C","2009","65","10","m377","m381","10.1107/S0108270109032934","","","0.71073","MoKα","","0.0832","0.0537","","","0.1172","0.1247","","","","","","0.898","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017448","11.1891","0.0011","7.4401","0.0007","21.359","0.002","90","","90","","90","","1778.1","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C72 H56 N24 O8 S8 -","8","1","LN3135","Hori, Akiko; Ishida, Yasuhide; Kikuchi, Takahiro; Miyamoto, Kumiko; Sakaguchi, Hiroshi","Two regioisomers of condensed thioheterocyclic triazine synthesized from 6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one","Acta Crystallographica Section C","2009","65","12","o593","o597","10.1107/S0108270109043728","","","0.71073","MoKa","","0.0366","0.0296","","","0.0777","0.0819","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017463","6.7339","0.0011","15.469","0.004","21.327","0.004","90","","90","","90","","2221.6","0.8","168","2","168","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-amino-7-methoxy-1,4-dihydroquinoxaline-2,3-dione hydrochloride hydrate","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","","- C9 H12 Cl N3 O4 -","- C9 H12 Cl N3 O4 -","- C72 H96 Cl8 N24 O32 -","8","1","DN3132","Brüning, Jürgen; Peters, Alexander; Bats, Jan W.; Schmidt, Martin U.","7-Methoxy-2,3-dioxo-1,4-dihydroquinoxalin-6-aminium chloride monohydrate","Acta Crystallographica Section C","2010","66","1","o1","o4","10.1107/S0108270109050197","","","0.71073","MoKα","","0.1465","0.0538","","","0.0918","0.1174","","","","","","0.993","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017497","13.793","0.0012","13.5544","0.0012","17.9574","0.0016","90","","90","","90","","3357.2","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Granisetron","1-methyl-<i>N</i>-(9-methyl-9-azabicyclo[3.3.1]nonan-7-yl)indazole- 3-carboxamide","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","1","DN3133","Ravikumar, Krishnan; Sridhar, Balasubramanian","Granisetron, an antiemetic drug, and its cobalt complex","Acta Crystallographica Section C","2010","66","2","m35","m39","10.1107/S0108270109055449","","","0.71073","MoKα","","0.0491","0.043","","","0.1179","0.1283","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017511","14.6031","0.0006","6.2725","0.0003","22.6997","0.0012","90","","90","","90","","2079.25","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3<i>Z</i>)-3-(1<i>H</i>-pyrrol-2-ylmethylidene)-1<i>H</i>-indol- 2(3<i>H</i>)-one","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","GG3207","Spencer, John; Chowdhry, Babur Z.; Hamid, Samiyah; Mendham, Andrew P.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Seven 3-methylidene-1<i>H</i>-indol-2(3<i>H</i>)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib","Acta Crystallographica Section C","2010","66","2","o71","o78","10.1107/S0108270109054134","","","0.71073","MoKα","","0.0817","0.053","","","0.0998","0.1104","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017558","14.3808","0.0002","12.6799","0.0002","22.4021","0.0003","90","","90","","90","","4084.96","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pyrimethaminium 2,4-dichlorobenzoate","2,4-diamino-(4-chlorophenyl)-6-ethylpyrimidinium 2,4-dichlorobenzoate","","- C19 H17 Cl3 N4 O2 -","- C19 H17 Cl3 N4 O2 -","- C152 H136 Cl24 N32 O16 -","8","1","GA3142","Thanigaimani, Kaliyaperumal; Muthiah, Packianathan Thomas","Hydrogen-bonded supramolecular motifs in pyrimethaminium 4-methylbenzoate, pyrimethaminium 3-hydroxypicolinate and pyrimethaminium 2,4-dichlorobenzoate","Acta Crystallographica Section C","2010","66","3","o104","o108","10.1107/S0108270110002337","","","0.71073","MoKα","","0.0714","0.0424","","","0.1004","0.1181","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017560","9.7371","0.0019","7.8756","0.0016","25.141","0.005","90","","90","","90","","1928","0.7","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-chloroanilinium dihydrogen phosphate","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C48 H72 Cl8 N8 O32 P8 -","8","1","GD3320","Balamurugan, P.; Jagan, R.; Sivakumar, K.","Dihydrogen phosphate mediated supramolecular frameworks in 2- and 4-chloroanilinium dihydrogen phosphate salts","Acta Crystallographica Section C","2010","66","3","o109","o113","10.1107/S0108270110001940","","","0.71073","MoKα","","0.0451","0.0395","","","0.1206","0.1272","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017572","9.602","0.005","9.259","0.005","13.89","0.006","90","","90","","90","","1234.9","1.1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Strontium bis(tetrafluoroborate)","","- B2 F8 Sr -","- B2 F8 Sr -","- B16 F64 Sr8 -","8","1","LN3136","Goreshnik, Evgeny; Vakulka, Andrii; Žemva, Boris","Strontium tetrafluoroborate. Erratum","Acta Crystallographica Section C","2010","66","3","e9","","10.1107/S0108270109054286","","","0.71069","MoKα","","","0.0593","","","","0.1106","","","","","","1.337","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017606","7.533","0.0017","7.835","0.0015","20.098","0.004","90","","90","","90","","1186.2","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","benzene-1,2-diamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","FG3158","Czapik, Agnieszka; Gdaniec, Maria","A new polymorph of benzene-1,2-diamine: isomorphism with 2-aminophenol and two-dimensional isostructurality of polymorphs","Acta Crystallographica Section C","2010","66","4","o198","o201","10.1107/S0108270110008474","","","0.71073","MoKα","","0.0588","0.0355","","","0.0827","0.0883","","","","","","0.935","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017688","13.875","0.003","13.142","0.003","22.166","0.004","90","","90","","90","","4041.9","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]","","- C40 H34 N12 O9 Zn2 -","- C40 H34 N12 O9 Zn2 -","- C160 H136 N48 O36 Zn8 -","4","0.5","SQ3238","Duan, Li; Wu, Xiang-Wen; Ma, Jian-Ping; Dong, Yu-Bin","Poly[[{μ~4~-3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoato}zinc(II)] hemihydrate]: a novel two-dimensional framework formed by self-association of zinc(II) sulfate with 3-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section C","2010","66","6","m149","m151","10.1107/S0108270110014988","","","0.71073","MoKα","","0.0641","0.0435","","","0.1068","0.1184","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2017747","20.7129","0.0005","7.1803","0.0002","37.4469","0.0009","90","","90","","90","","5569.3","0.2","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-1,3-thiazolium hydrogen fumarate","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C168 H192 N48 O96 S24 -","24","3","GA3150","John, Jain; Balasubramanian, T.","<i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate","Acta Crystallographica Section C","2010","66","8","o436","o440","10.1107/S0108270110023206","","","0.71073","MoKα","","0.0679","0.0518","","","","0.1491","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017770","16.24649","0.00013","16.59379","0.00012","7.40433","0.00004","90","","90","","90","","1996.14","0.02","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ-bromido-μ-(2,2-dimethylpropane-1,3-diyl diisocyanide)-silver(I)]","","- C7 H10 Ag Br N2 -","- C7 H10 Ag Br N2 -","- C56 H80 Ag8 Br8 N16 -","8","1","ER2080","Al-Ktaifani, Mahmoud; Rukiah, Mwaffak","Poly[μ-bromido-μ-(2,2-dimethylpropane-1,3-diyl diisocyanide)-silver(I)]: a powder diffraction study","Acta Crystallographica, Section E","2010","66","12","m1555","m1556","10.1107/S1600536810044703","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.28","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017782","8.977","0.007","9.186","0.007","10.003","0.007","90","","90","","90","","824.9","1.1","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","aminomethylphosphonic acid","","- C H6 N O3 P -","- C H6 N O3 P -","- C8 H48 N8 O24 P8 -","8","1","SO5036","Janicki, Rafał; Starynowicz, Przemysław","Charge density distribution in aminomethylphosphonic acid","Acta Crystallographica Section B","2010","66","5","559","567","10.1107/S0108768110026091","","","0.71073","MoKα","","0.0308","0.0217","","","0.0452","0.0463","","","","","","2","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017855","17.467","0.003","9.205","0.0016","18.183","0.003","90","","90","","90","","2923.5","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-Diphenylbenzamide","","- C19 H15 N O -","- C19 H15 N O -","- C152 H120 N8 O8 -","8","1","MX3035","Choudhury, Diganta; Banik, Abhijit; Sarma, Rupam","<i>N</i>,<i>N</i>-Diphenylbenzamide","Acta Crystallographica Section C","2010","66","10","o524","o526","10.1107/S0108270110036887","","","0.71073","MoKα","","0.0517","0.0358","","","0.0972","0.103","","","","","","1.083","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017863","17.3649","0.0009","8.6087","0.0004","23.8669","0.0012","90","","90","","90","","3567.8","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~3~-benzotriazole-5-carboxylato- κ^4^<i>N</i>^1^:<i>N</i>^3^:<i>O</i>,<i>O</i>')(1,4,8,9-tetraazatriphenylene- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)] 0.25-hydrate]","","- C21 H11.5 N7 O2.25 Zn -","- C21 H11 N7 O2.25 Zn -","- C168 H88 N56 O18 Zn8 -","8","1","SQ3250","Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo","A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene","Acta Crystallographica Section C","2010","66","10","m283","m285","10.1107/S0108270110033998","","","0.71073","MoKα","","0.0355","0.0272","","","0.0682","0.0706","","","","","","0.968","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2017877","13.437","0.005","12.993","0.005","27.088","0.01","90","","90","","90","","4729","3","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-\ trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-\ 1-benzothiophene-3-carboxamide","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C208 H224 N16 O32 S8 -","8","1","BI3001","Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan","<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3","Acta Crystallographica Section C","2010","66","12","o571","o574","10.1107/S0108270110040448","","","0.71073","MoKα","","0.0659","0.0447","","","0.1152","0.1234","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017900","16.2033","0.0004","8.1005","0.0002","18.8425","0.0005","90","","90","","90","","2473.17","0.11","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-(benzimidazolium-2-yl)salicylate","5-(1<i>H</i>-benzimidazol-3-ium-2-yl)-2-hydroxybenzoate","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C112 H80 N16 O24 -","8","1","SK3389","Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong","5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate","Acta Crystallographica Section C","2010","66","12","o596","o599","10.1107/S0108270110044926","","","0.71073","MoKα","","0.0676","0.041","","","0.0935","0.104","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017903","7.1523","0.0002","20.0145","0.0005","36.8669","0.0008","90","","90","","90","","5277.5","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C288 H192 N16 O16 -","8","1","SU3052","Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole","Acta Crystallographica Section C","2010","66","12","o623","o626","10.1107/S0108270110045725","","","0.71073","MoKα","","0.102","0.0522","","","0.1334","0.1556","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017931","8.7024","0.0002","12.8964","0.0004","26.9492","0.0007","90","","90","","90","","3024.5","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(<i>Z</i>)-1,3-dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-\ cyclohepta[<i>c</i>]furan-4-ylidene]-4-isopropylidenetetrahydrofuran-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","EG3067","Strübe, Frank; Mattay, Jochen; Neumann, Beate; Stammler, Hans-Georg","Rotationally-hindered furyl fulgides","Acta Crystallographica Section C","2011","67","1","o33","o36","10.1107/S0108270110049401","","","0.71073","MoKα","","0.0542","0.0377","","","0.0885","0.0965","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017943","8.6971","0.0005","10.3972","0.0005","21.728","0.0015","90","","90","","90","","1964.8","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-bis(hydroxymethyl)propane-1,3-diyl bis(thiocyanate)","","- C7 H10 N2 O2 S2 -","- C7 H10 N2 O2 S2 -","- C56 H80 N16 O16 S16 -","8","1","SK3390","Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A.","The mixed diol‒dithiol 2,2-bis(sulfanylmethyl)propane-1,3-diol: characterization of key intermediates on a new synthetic pathway","Acta Crystallographica Section C","2011","67","1","o1","o5","10.1107/S0108270110049371","","","0.71073","MoKα","","0.09","0.0397","","","0.0608","0.0691","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018112","14.592","0.003","5.5108","0.0011","15.106","0.003","90","","90","","90","","1214.7","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(Thiophen-3-yl)ethanone","","- C6 H6 O S -","- C6 H6 O S -","- C48 H48 O8 S8 -","8","1","SK3405","Rozycka-Sokolowska, Ewa; Borowski, Andrzej; Marciniak, Bernard","1-(Thiophen-3-yl)ethanone","Acta Crystallographica Section C","2011","67","6","o209","o211","10.1107/S010827011101506X","","","0.71073","MoKα","","0.0861","0.0404","","","0.0669","0.0825","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018155","15.684","0.003","13.007","0.002","21.981","0.004","90","","90","","90","","4484.2","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[1,2-bis(isopropylsulfanyl)ethane-2κ^2^<i>S</i>,<i>S</i>']octachlorido- 1κ^5^<i>Cl</i>,2κ^3^<i>Cl</i>-μ-oxido-ditantalum(V)","","- C8 H18 Cl8 O S2 Ta2 -","- C8 H18 Cl8 O S2 Ta2 -","- C64 H144 Cl64 O8 S16 Ta16 -","8","1","SK3411","Benjamin, Sophie L.; Hyslop, Alison; Levason, William; Webster, Michael","[Cl~5~Ta(μ-O)TaCl~3~{^<i>i^</i>PrS(CH~2~)~2~S^<i>i^</i>Pr}] and [(TaCl~4~)~2~(μ-O)(μ-Me~2~Se~2~)]: two chalcogenoether complexes of Ta~2~OCl~8~ with very different geometries","Acta Crystallographica Section C","2011","67","7","m221","m223","10.1107/S0108270111022037","","","0.71073","MoKα","","0.0479","0.0357","","","0.0668","0.0724","","","","","","1.098","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2018187","8.7357","0.001","16.828","0.0018","31.896","0.004","90","","90","","90","","4688.9","0.9","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethyl 2-(triphenylphosphoranylidene)succinate","","- C26 H27 O4 P -","- C26 H27 O4 P -","- C208 H216 O32 P8 -","8","1","GT3033","Castañeda, Fernando; Silva, Paul; Bunton, Clifford A.; Garland, María Teresa; Baggio, Ricardo","Conformations of diester triphenylphosphonium ylides with an ylidic ester or keto and ester ylidic groups","Acta Crystallographica Section C","2011","67","8","o319","o323","10.1107/S0108270111027508","","","0.71073","MoKα","","0.0849","0.0516","","","0.1256","0.1386","","","","","","0.914","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018194","9.5542","0.0005","18.7198","0.0009","21.1509","0.0012","90","","90","","90","","3782.9","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-fluoro-<i>N</i>-(1<i>H</i>-pyrrol-2-ylmethylidene)aniline","","- C11 H9 F N2 -","- C11 H9 F N2 -","- C176 H144 F16 N32 -","16","2","LG3062","Gomes, Clara S. B.; Figueira, Cláudia A.; Lopes, Patrícia S.; Suresh, D.; Gomes, Pedro T.; Duarte, M. Teresa","Iminopyrrole derivatives containing electron-withdrawing substituents: the formation of dimers and supramolecular arrangements","Acta Crystallographica Section C","2011","67","8","o315","o318","10.1107/S0108270111027491","","","0.71073","MoKα","","0.0726","0.0383","","","0.0841","0.1","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018203","6.8802","0.0001","16.7892","0.0004","21.924","0.0005","90","","90","","90","","2532.51","0.09","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-(2-{[amino(iminio)methyl]amino}vinyl)-3,5-dichlorophenolate dihydrate","","- C8 H12 Cl2 N4 O3 -","- C8 H12 Cl2 N4 O3 -","- C64 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.1108","0.0525","","","0.1175","0.1416","","","","","","1.054","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018205","15.963","0.0001","7.406","0.0002","21.793","0.0003","90","","90","","90","","2576.41","0.08","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-amino[(2,6-dichloro-4-hydroxystyryl)amino]methaniminium acetate","","- C10 H12 Cl2 N4 O3 -","- C10 H12 Cl2 N4 O3 -","- C80 H96 Cl16 N32 O24 -","8","1","SQ3285","Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui","Solvatomorphism in (<i>E</i>)-2-(2,6-dichloro-4-hydroxybenzylidene)hydrazinecarboximidamide","Acta Crystallographica Section C","2011","67","8","o310","o314","10.1107/S0108270111023845","","","0.71073","MoKα","","0.0503","0.0372","","","0.0919","0.0997","","","","","","1.091","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018238","6.6577","0.0017","18.1234","0.0003","18.579","0.003","90","","90","","90","","2241.7","0.7","122","1","122","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Magnesium FDA","Hexaaquamagnesium(ii) (2,5-furandicarboxylate)","","- C6 H14 Mg O11 -","- C6 H14 Mg O11 -","- C48 H112 Mg8 O88 -","8","1","BI3023","Schau-Magnussen, Magnus; Gorbanev, Yury Y.; Kegnæs, Søren; Riisager, Anders","Magnesium and nickel(II) furan-2,5-dicarboxylate","Acta Crystallographica Section C","2011","67","10","m327","m330","10.1107/S0108270111036535","","","0.71073","MoKα","","0.0574","0.0354","","","0.0824","0.0917","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018266","16.498","0.003","16.912","0.003","23.552","0.005","90","","90","","90","","6571","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}bis(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) bis(hexafluoridophosphate)","","- C22 H35 Cu F12 N9 P2 -","- C22 H35 Cu F12 N9 P2 -","- C176 H280 Cu8 F96 N72 P16 -","8","1","YF3005","Yu, Fan","<i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine","Acta Crystallographica Section C","2011","67","10","m331","m334","10.1107/S0108270111031519","","","0.71073","MoKα","","0.0618","0.0527","","","0.1619","0.1694","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018292","36.627","0.004","12.5071","0.001","7.5769","0.0004","90","","90","","90","","3471","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro- 1,3-benzothiazol-2-imine","","- C21 H14 N4 O2 S -","- C21 H14 N4 O2 S -","- C168 H112 N32 O16 S8 -","8","1","LG3066","Vallcorba, Oriol; Latorre, Sonia; Alcobé, Xavier; Miravitlles, Carles; Rius, Jordi","(<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro-1,3-benzothiazol-2-imine from laboratory powder diffraction data","Acta Crystallographica Section C","2011","67","11","o425","o427","10.1107/S0108270111039916","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.667","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018299","10.434","0.0006","11.132","0.0006","28.709","0.0017","90","","90","","90","","3334.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-propyl-2-thiouracil","6-propyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","SK3414","Tutughamiarso, Maya; Egert, Ernst","Cocrystals of 6-propyl-2-thiouracil: N—H···O <i>versus</i> N—H···S hydrogen bonds","Acta Crystallographica Section C","2011","67","11","o439","o445","10.1107/S0108270111037991","","","0.71073","MoKα","","0.0918","0.0463","","","0.0815","0.0926","","","","","","0.909","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018328","9.9037","0.0004","11.5575","0.0004","16.727","0.0006","90","","90","","90","","1914.61","0.12","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-Sulfoethylammonium hexafluoridoantimonate","","- C2 H8 F6 N O3 S Sb -","- C2 H8 F6 N O3 S Sb -","- C16 H64 F48 N8 O24 S8 Sb8 -","8","1","OV3009","Hopfinger, Mathias; Lux, Karin; Schubert, Felix; Kornath, Andreas","2-Sulfoethylammonium hexafluoridoantimonate","Acta Crystallographica Section C","2011","67","12","m400","m402","10.1107/S0108270111047548","","","0.71073","MoKα","","0.0243","0.0183","","","0.0421","0.043","","","","","","0.914","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018393","11.827","0.0003","16.1719","0.0004","18.6774","0.0005","90","","90","","90","","3572.33","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","diethylammonium 5-ethyl-2,4,6-trioxo-5-(piperidin-1-yl)-1,3-diazinan-1-ide","","- C15 H28 N4 O3 -","- C15 H28 N4 O3 -","- C120 H224 N32 O24 -","8","1","SK3420","Gelbrich, Thomas; Rossi, Denise; Griesser, Ulrich J.","Two polymorphs and the diethylammonium salt of the barbiturate eldoral","Acta Crystallographica Section C","2012","68","2","o65","o70","10.1107/S0108270111055120","","","1.5418","CuKα","","0.0379","0.0345","","","0.0937","0.0966","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018399","6.5362","0.0003","16.6485","0.0006","26.1629","0.0015","90","","90","","90","","2847","0.2","120","0.14","120","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-carbamoylguanidinium) fluorophosphonate","","- C4 H18 F N8 O7 P -","- C4 H18 F N8 O7 P -","- C32 H144 F8 N64 O56 P8 -","8","1","SK3423","Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila","Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate","Acta Crystallographica Section C","2012","68","2","o71","o75","10.1107/S0108270111053133","","","1.5418","CuKα","","0.1766","0.0698","","","0.1388","0.1928","","","","","","1.43","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018403","13.6306","0.0011","12.698","0.001","15.5907","0.0013","90","","90","","90","","2698.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","","- C24 H32 N6 O8 S2 -","- C24 H32 N6 O8 S2 -","- C96 H128 N24 O32 S8 -","4","0.5","SK3426","Bekö, Sándor L.; Bats, Jan W.; Schmidt, Martin U.","2-Ammonio-5-chloro-4-methylbenzenesulfonate, its 1-methyl-2-pyrrolidone and dimethyl sulfoxide monosolvates and a corrected structure of 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate","Acta Crystallographica Section C","2012","68","2","o45","o50","10.1107/S0108270111054205","","","0.71073","MoKα","","0.0533","0.0296","","","0.0624","0.0651","","","","","","0.871","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018406","11.0737","0.0011","18.0705","0.0017","20.1156","0.0019","90","","90","","90","","4025.3","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5- diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","","- C17 H21 N3 O7 U -","- C17 H21 N3 O7 U -","- C136 H168 N24 O56 U8 -","8","1","BI3033","Raspertova, Ilona; Doroschuk, Roman; Khomenko, Dmytro; Lampeka, Rostislav","Bis(methanol-κ<i>O</i>)dioxido[3,3'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)diphenolato-κ^3^<i>O</i>,<i>N</i>^4^,<i>O</i>']uranium(VI) methanol monosolvate","Acta Crystallographica Section C","2012","68","3","m61","m63","10.1107/S0108270112003034","","","0.71073","MoKα","","0.0424","0.0271","","","0.0559","0.0614","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018460","8.4644","0.0002","19.8264","0.0005","27.9406","0.0007","90","","90","","90","","4689","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","aripiprazole nitrate","4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium nitrate","","- C23 H28 Cl2 N4 O5 -","- C23 H28 Cl2 N4 O5 -","- C184 H224 Cl16 N32 O40 -","8","1","QS3012","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. I. Aripiprazole nitrate","Acta Crystallographica Section C","2012","68","4","o170","o173","10.1107/S0108270112010785","","","0.71073","MoKα","","0.0555","0.0417","","","0.095","0.1027","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018465","8.2523","0.0003","11.1475","0.0003","27.817","0.0007","90","","90","","90","","2558.96","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cyclopentylaminium cinnamate","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0418","","","","0.1067","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018474","13.7285","0.0012","19.233","0.0018","21.171","0.002","90","","90","","90","","5590","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-{1,8-bis[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate) 0.24-hydrate","","- C20 H36.48 Cl2 N8 Ni O8.24 -","- C20 H36 Cl2 N8 Ni O8.248 -","- C160 H288 Cl16 N64 Ni8 O65.984 -","8","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71073","MoKα","","0.0945","0.0642","","","0.1366","0.1512","","","","","","1.077","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018509","11.0841","0.0016","7.8287","0.0012","17.72","0.002","90","","90","","90","","1537.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dibromoborylbenzene","","- C6 H5 B Br2 -","- C6 H5 B Br2 -","- C48 H40 B8 Br16 -","8","1","SK3438","Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael","Structural characteristics of dibromoborylated benzene derivatives","Acta Crystallographica Section C","2012","68","6","o226","o230","10.1107/S0108270112020604","","","0.71073","MoKα","","0.0771","0.0504","","","0.1003","0.1097","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018571","14.1516","0.0002","7.0064","0.0001","18.3134","0.0002","90","","90","","90","","1815.81","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(9-Fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol","","- C11 H8 F N O3 -","- C11 H8 F N O3 -","- C88 H64 F8 N8 O24 -","8","1","KU3066","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular networks in (9-fluoro-4<i>H</i>-chromeno[4,3-<i>c</i>]isoxazol-3-yl)methanol and its 9-chloro analogue at 100K","Acta Crystallographica Section C","2012","68","8","o288","o293","10.1107/S0108270112025620","","","0.71073","MoKα","","0.0624","0.0437","","","0.1109","0.1226","","","","","","1.053","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018573","11.2228","0.0003","10.0097","0.0003","18.7285","0.0004","90","","90","","90","","2103.9","0.1","295","2","295","2","98","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>N</i>,<i>N</i>-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","KU3073","Minkov, Vasily S.; Boldyreva, Elena V.","The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate","Acta Crystallographica Section C","2012","68","8","o283","o287","10.1107/S0108270112027643","","","0.71073","MoKα","","0.0445","0.041","","","0.1117","0.1148","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018581","22.1562","0.0002","6.9556","0.0007","25.0366","0.0005","90","","90","","90","","3858.4","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ag4 N2 O4 S2 -","- C16 H16 Ag4 N2 O4 S2 -","- C128 H128 Ag32 N16 O32 S16 -","8","1","QS3015","Sun, Di; Yan, Zhi-Hao","A novel one-dimensional silver cylinder stabilized by mixed 2-mercaptobenzoic acid and ethylenediamine ligands","Acta Crystallographica Section C","2012","68","8","m229","m232","10.1107/S0108270112031125","","","0.71073","MoKα","","0.0647","0.0439","","","0.0816","0.1128","","","","","","1.195","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018598","10.6137","0.0014","8.3339","0.001","34.35","0.004","90","","90","","90","","3038.4","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cycyclen","2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol","","- C14 H30 N4 O -","- C14 H30 N4 O -","- C112 H240 N32 O8 -","8","1","DT3014","de Sousa, Alvaro S.; Sannasy, Denzel; Fernandes, Manuel A.; Marques, Helder M.","Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)","Acta Crystallographica Section C","2012","68","10","o383","o386","10.1107/S0108270112037195","","","0.71073","MoKα","","0.0723","0.0449","","","0.1026","0.106","","","","","","0.866","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018654","10.6645","0.0007","10.3818","0.0007","32.164","0.002","90","","90","","90","","3561.1","0.4","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","benzoyl(hydroxyimino)acetonitrile‒18-crown-6 (1,4,7,10,13,16-hexaoxacyclooctadecane)‒water (2/1/4)","","- C30 H44 N4 O14 -","- C30 H44 N4 O14 -","- C120 H176 N16 O56 -","4","0.5","SF3178","Ponomarova, Vira V.; Domasevitch, Konstantin V.","A three-component cocrystal: benzoyl(hydroxyimino)acetonitrile‒18-crown-6‒water (2/1/4)","Acta Crystallographica Section C","2012","68","9","o359","o361","10.1107/S0108270112034208","","","0.71073","MoKα","","0.0691","0.0451","","","0.0773","0.0842","","","","","","1.092","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018655","14.6307","0.0011","8.5718","0.0007","28.083","0.002","90","","90","","90","","3521.9","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4<i>H</i>-1,2,4-Triazolo[3,4-<i>c</i>][1,4]benzothiazin-1(2<i>H</i>)-one","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C144 H112 N48 O16 S16 -","16","2","SF3180","Ravikumar, Krishnan; Sridhar, Balasubramanian; Hariharakrishnan, Venkatasubramanian; Singh, Awadesh Narain","Three novel benzothiazine-fused triazoles as potential centrally acting muscle relaxants","Acta Crystallographica Section C","2012","68","11","o475","o480","10.1107/S0108270112040759","","","0.71073","MoKα","","0.0312","0.0295","","","0.0817","0.0831","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018658","7.411","0.0006","16.2739","0.0018","17.201","0.002","90","","90","","90","","2074.5","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene- 1,3-thiazolidin-4-one monohydrate","","- C8 H9 N3 O2 S2 -","- C8 H9 N3 O2 S2 -","- C64 H72 N24 O16 S16 -","8","1","SF3183","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[(5-Methyl-1<i>H</i>-imidazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2012","68","11","o468","o471","10.1107/S0108270112043260","","","0.71073","MoKα","","0.1104","0.0555","","","0.1342","0.1636","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018749","7.5509","0.0007","15.2328","0.0012","50.601","0.003","90","","90","","90","","5820.2","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C184 H296 N72 O40 S16 -","8","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1821","0.0789","","","0.1835","0.2288","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018767","8.415","0.0007","12.8669","0.0011","15.2441","0.0014","90","","90","","90","","1650.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-4-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","1","WQ3020","Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu","An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate","Acta Crystallographica Section C","2013","69","1","61","65","10.1107/S0108270112047877","","","0.71073","MoKα","","0.0912","0.0487","","","0.1158","0.1519","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018859","11.24","","12.278","","12.955","","90","","90","","90","","1787.85","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ag2 (Al4 Cl10 O2)","","- Ag2 Al4 Cl10 O2 -","- Ag2 Al4 Cl10 O2 -","- Ag8 Al16 Cl40 O8 -","4","0.5","","Jentsch, D.; Schwarzmann, E.; Sheldrick, G.M.; Jones, P.G.","Disilver(I) Decachlorodioxotetraaluminate(III), Ag2 (Al4 Cl10 O2)","Acta Crystallographica C (39,1983-)","1983","39","","1173","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018902","9.1323","0.0002","8.9812","0.0002","27.1824","0.0006","90","","90","","90","","2229.47","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(±)-amphetamine gold(III) dichloride","[<i>D</i>,<i>L</i>-2-(2-Aminopropyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]dichloridogold(III)","","- C9 H12 Au Cl2 N -","- C9 H12 Au Cl2 N -","- C72 H96 Au8 Cl16 N8 -","8","1","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.042","0.042","","","0.102","0.102","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018919","12.0692","0.0015","12.7108","0.0017","12.882","0.002","90","","90","","90","","1976.2","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0421","0.0375","","","0.1061","0.1086","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018920","12.0802","0.0019","12.763","0.0019","12.832","0.002","90","","90","","90","","1978.4","0.5","200","","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0469","0.0348","","","0.0831","0.0875","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018957","12.1097","0.0014","12.7228","0.0015","25.46","0.003","90","","90","","90","","3922.6","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","","- C19 H20 Cl Cu N3 O4 -","- C19 H20 Cl Cu N3 O4 -","- C152 H160 Cl8 Cu8 N24 O32 -","8","1","FN3134","Wang, Min; Lian, Zhao-Xun","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2013","69","6","594","596","10.1107/S0108270113011967","","","0.71073","MoKα","","0.0812","0.0417","","","0.1016","0.1185","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019035","24.906","0.004","18.144","0.002","8.328","0.002","90","","90","","90","","3763.4","1.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","","- C13.6 H24.4 Cl2 N0.8 Pd S3 -","- C13.588 H24.382 Cl2 N0.794 Pd S3 -","- C108.704 H195.056 Cl16 N6.352 Pd8 S24 -","8","1","FN3138","Dawe, Louise Nicole; Penney, Lisa; Black, Daniel A.; Miller, David O.; Lucas, C. Robert","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","Acta Crystallographica Section C","2013","69","7","727","729","10.1107/S0108270113015060","","","0.71069","MoKα","","0.0992","0.0376","","","0.0926","0.1093","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019054","7.2326","0.0004","12.3516","0.0013","29.695","0.003","90","","90","","90","","2652.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(4-methylphenyl)-1,2,4-benzotriazine- 6-carboxylate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.1144","0.0617","","","0.1517","0.1883","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019058","9.0206","0.0002","16.7979","0.0004","17.3754","0.0005","90","","90","","90","","2632.84","0.11","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II)","","- C18 H40 Cl2 Cu N4 O8 -","- C18 H40 Cl2 Cu N4 O8 -","- C72 H160 Cl8 Cu4 N16 O32 -","4","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0587","0.0436","","","0.1068","0.116","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019093","6.9712","0.001","12.637","0.0017","30.182","0.004","90","","90","","90","","2658.9","0.6","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(2-(2-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0424","0.0373","","","0.0847","0.0878","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019112","7.4502","0.0015","16.337","0.003","30.484","0.006","90","","90","","90","","3710.3","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[cadmium(II)-di-μ-chlorido-μ-(4-azonia-1-azabicyclo[2.2.2]octane-1-carboxylato)] [aquadi-μ-chlorido-chloridocadmium(II)] dihydrate]","","- C8 H21 Cd2 Cl5 N2 O5 -","- C8 H21 Cd2 Cl5 N2 O5 -","- C64 H168 Cd16 Cl40 N16 O40 -","8","1","YF3038","Liao, Wei-Qiang; Zhang, Yi","A novel cadmium(II) coordination polymer containing two kinds of independent one-dimensional chain","Acta Crystallographica Section C","2013","69","8","829","832","10.1107/S0108270113017368","","","0.71073","MoKα","","0.0736","0.0461","","","0.0897","0.0987","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019123","12.5489","0.0004","16.456","0.0005","20.9643","0.0006","90","","90","","90","","4329.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Anilino(diphenylphosphoryl)methyl]phenol","","- C25 H22 N O2 P -","- C25 H22 N O2 P -","- C200 H176 N8 O16 P8 -","8","1","EG3131","Wu, Ming-Shu; Feng, Qing-Qin; Li, Gao-Nan; Wan, De-Hui","2-[Anilino(diphenylphosphoryl)methyl]phenol from a three-component Kabachnik‒Fields reaction","Acta Crystallographica Section C","2013","69","9","1070","1072","10.1107/S0108270113022087","","","0.71073","MoKα","","0.0817","0.0476","","","0.1061","0.1215","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019201","11.3673","0.0002","9.5997","0.0002","28.6571","0.0005","90","","90","","90","","3127.14","0.1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","","- C10 H22 Cl4 N2 Zn -","- C10 H22 Cl4 N2 Zn -","- C80 H176 Cl32 N16 Zn8 -","8","1","CU3034","Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","The organic‒inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","Acta Crystallographica Section C","2013","69","11","1304","1306","10.1107/S0108270113026267","","","1.54184","CuKα","","0.0227","0.0216","","","0.055","0.0557","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019266","7.6869","0.0005","15.7109","0.001","22.6742","0.0014","90","","90","","90","","2738.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-(2-(pyridin-2-yl)ethyl)toluensulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]toluenesulfonamide","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.056","0.0403","","","0.1031","0.1088","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019312","7.9406","0.0004","6.8025","0.0004","33.27","0.0017","90","","90","","90","","1797.11","0.17","200","1","200","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","sodium 4-chloro-3-nitrobenzoate monohydrate","Poly[aqua(μ~4~-4-chloro-3-nitrobenzoato)sodium(I)]","","- C7 H5 Cl N Na O5 -","- C7 H5 Cl N Na O5 -","- C56 H40 Cl8 N8 Na8 O40 -","8","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0407","0.0365","","","0.0888","0.0914","","","","","","1.132","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019354","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0145","","","","0.0104","","","","","","0.9","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019355","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0149","","","","0.0112","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019356","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0166","","","","0.0132","","","","","","0.85","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019357","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0182","","","","0.0165","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019358","11.6103","0.0004","10.7291","0.0003","13.2013","0.0004","90","","90","","90","","1644.46","0.09","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.01","","","","0.0075","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019359","11.6103","0.0004","10.7291","0.0003","13.2013","0.0004","90","","90","","90","","1644.46","0.09","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan","Importance of the consideration of anharmonic motion in charge-density studies: a comparison of variable-temperature studies on two explosives, RDX and HMX","Acta Crystallographica Section A Foundations of Crystallography","2011","67","2","160","173","10.1107/S0108767310052219","","","0.71073","MoKα","","","0.0178","","","","0.0201","","","","","","1.14","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019376","15.2437","0.0006","6.8275","0.0017","23.555","0.002","90","","90","","90","","2451.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-thiouracil‒1-methylpyrrolidin-2-one (1/1)","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C88 H136 N24 O16 S8 -","8","1","EG3147","Hützler, Wilhelm Maximilian; Egert, Ernst","N—H···S and N—H···O hydrogen bonds: `pure' and `mixed' <i>R</i>^2^~2~(8) patterns in the crystal structures of eight 2-thiouracil derivatives","Acta Crystallographica Section C","2014","70","2","241","249","10.1107/S2053229614001387","","","0.71073","MoKα","","0.0638","0.0584","","","0.1249","0.1286","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019418","16.5","0.006","11.356","0.004","24.656","0.009","90","","90","","90","","4620","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Bis{2-methyl-5-[2-(pyridin-3-yl)ethenyl]phenyl}-1,3,4-oxadiazole","","- C30 H20 N4 O -","- C30 H20 N4 O -","- C240 H160 N32 O8 -","8","1","BG3166","Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","`0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI","Acta Crystallographica Section C","2014","70","1","31","36","10.1107/S2053229613031719","","","0.71073","MoKα","","0.0635","0.0414","","","0.1032","0.1169","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019435","8.794","0.009","11.696","0.007","12.854","0.008","90","","90","","90","","1322.1","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Nitro-1,3,5,2,4-trithiadiazepine","","- C2 H N3 O2 S3 -","- C2 H N3 O2 S3 -","- C16 H8 N24 O16 S24 -","8","1","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0796","0.0596","","","0.1457","0.1578","","","","","","1.003","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019479","17.291","0.0017","12.5737","0.0005","21.8534","0.0005","90","","90","","90","","4751.2","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(ethylamine-κ<i>N</i>)(piperidine-κ<i>N</i>)platinum(II)","","- C7 H18 Cl2 N2 Pt -","- C7 H18 Cl2 N2 Pt -","- C112 H288 Cl32 N32 Pt16 -","16","2","","Nguyen Thi Thanh, Chi; Nguyen Bich, Ngan; Van Meervelt, Luc","Hydrogen-bonded chains in three <i>cis</i>-dichloridoplatinum(II) complexes bearing piperidine and amine ligands","Acta Crystallographica Section C","2014","70","3","297","301","10.1107/S2053229614003386","","","0.71073","MoKα","","0.0258","0.0188","","","0.0386","0.0409","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019532","18.2319","0.0008","14.2937","0.0007","18.4926","0.0008","90","","90","","90","","4819.2","0.4","289.17","0.1","289.17","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-poly[[[dichloridocobalt(II)]-μ-2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline] methanol disolvate]","","- C24 H24 Cl2 Co N4 O2 -","- C24 H24 Cl2 Co N4 O2 -","- C192 H192 Cl16 Co8 N32 O16 -","8","1","BG3176","Wu, Xiang-Wen; Zhang, Dong; Ma, Jian-Ping","Two different one-dimensional supramolecular chains formed from the reaction of 2-[1-(pyridin-4-ylmethyl)-1<i>H</i>-benzimidazol-2-yl]quinoline with two different precursors, Co(NO~3~)~2~ and CoCl~2~","Acta Crystallographica Section C","2014","70","5","522","527","10.1107/S2053229614009000","","","0.7107","MoKα","","0.0851","0.0535","","","0.1135","0.1301","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019545","7.28","0.003","22.171","0.01","24.289","0.011","90","","90","","90","","3920","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","","- C19 H15 Bi N6 O6 -","- C19 H15 Bi N6 O6 -","- C152 H120 Bi8 N48 O48 -","8","1","KU3130","Zhang, Wei; Feng, Yu-Quan","A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^;κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-bis[(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bismuth(III)] tetrahydrate","Acta Crystallographica Section C","2014","70","6","562","565","10.1107/S2053229614009863","","","0.71073","MoKα","","0.0468","0.0282","","","0.0595","0.068","","","","","","1.006","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2019547","9.859","0.002","13.979","0.004","29.331","0.008","90","","90","","90","","4042.4","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7,7'-(2-Methylidenepropane-1,3-diyl)bis[3-methyl-2-methylsulfanyl-3<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4(7<i>H</i>)-one]","","- C20 H22 N6 O2 S2 -","- C20 H22 N6 O2 S2 -","- C160 H176 N48 O16 S16 -","8","1","EG3154","Avasthi, Kamlakar; Shukla, Lakshmi; Kant, Ruchir; Ravikumar, Krishnan","Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-<i>d</i>]pyrimidine, purine and 7-deazapurine","Acta Crystallographica Section C","2014","70","6","555","561","10.1107/S2053229614009449","","","0.71075","MoKα","","0.0442","0.041","","","0.0933","0.0953","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019600","11.2923","0.0008","29.204","0.003","15.8321","0.0016","90","","90","","90","","5221.1","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hexa-<i>tert</i>-butyldisilane","","- C24 H54 Si2 -","- C24 H54 Si2 -","- C192 H432 Si16 -","8","1","","Scholz, Stefan; Lerner, Hans-Wolfram; Bats, Jan W.","A low-temperature modification of hexa-<i>tert</i>-butyldisilane and a new polymorph of 1,1,2,2-tetra-<i>tert</i>-butyl-1,2-diphenyldisilane","Acta Crystallographica Section C","2014","70","7","697","701","10.1107/S2053229614013503","","","0.71073","MoKα","","0.0921","0.0483","","","0.102","0.1157","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019619","8.53937","0.00013","15.0206","0.0002","21.396","0.0003","90","","90","","90","","2744.39","0.07","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide","","- C11 H13 N3 O2 S2 -","- C11 H13 N3 O2 S2 -","- C88 H104 N24 O16 S16 -","8","1","FA3347","Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco","Distinguishing tautomerism in the crystal structure of (<i>Z</i>)-<i>N</i>-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide using DFT-D calculations and ^13^C solid-state NMR","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015356","powder diffraction","","1.54056","CuKα~1~","","0.033","","","","","","","","1.53","","","","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019657","7.162","0.0002","10.0096","0.0002","27.8847","0.0007","90","","90","","90","","1999.02","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-1,3,4-thiadiazole‒glutaric acid (1/1)","","- C7 H11 N3 O4 S -","- C7 H11 N3 O4 S -","- C56 H88 N24 O32 S8 -","8","1","FM3021","Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan","Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole‒succinic acid (1/2), 2-amino-1,3,4-thiadiazole‒glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole‒adipic acid (1/1)","Acta Crystallographica Section C","2014","70","10","927","933","10.1107/S2053229614018269","","","0.71073","MoKα","","0.0361","0.0275","","","0.0646","0.0674","","","","","","1.66","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019671","21.8864","0.0009","11.2268","0.0004","24.267","0.0009","90","","90","","90","","5962.7","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>RS</i>,2<i>SR</i>,3<i>SR</i>,4<i>RS</i>,5<i>RS</i>)-3,5-Bis(4-fluorophenyl)-2,4-bis(pyridine-2-carbonyl)1-(pyridin-2-yl)cyclohexanol","","- C35 H27 F2 N3 O3 -","- C35 H27 F2 N3 O3 -","- C280 H216 F16 N24 O24 -","8","1","SK3563","Samshuddin, Seranthimata; Jasinski, Jerry P.; Butcher, Ray J.; Neuhardt, Elizabeth A.; Narayana, Badiadka; Yathirajan, Hemmige S.; Glidewell, Christopher","Three closely-related cyclohexanols (C~35~H~27~<i>X</i>~2~N~3~O~3~; <i>X</i> = F, Cl or Br): similar molecular structures but different crystal structures","Acta Crystallographica Section C","2014","70","10","953","959","10.1107/S2053229614019937","","","1.54178","CuKα","","0.0594","0.0458","","","0.1192","0.1305","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019676","11.1299","0.001","13.1194","0.0012","23.797","0.002","90","","90","","90","","3474.8","0.5","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']copper(II) <i>p</i>-xylene <i>n</i>-solvate","","- C38 H12 Cu F20 O4 -","- C38 H12 Cu F20 O4 -","- C152 H48 Cu4 F80 O16 -","4","0.5","SK3552","Hori, Akiko; Nakajima, Kyosuke; Yuge, Hidetaka","Three <i>p</i>-xylene-solvated pseudopolymorphs of bis[1,3-bis(pentafluorophenyl)propane-1,3-dionato]copper(II)","Acta Crystallographica Section C","2014","70","10","960","964","10.1107/S2053229614020294","","","0.71073","MoKα","","0.0465","0.0308","","","0.0722","0.0794","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019681","14.7742","0.0007","7.2681","0.0003","17.2792","0.0008","90","","90","","90","","1855.45","0.14","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-nitro-carbazole","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C96 H64 N16 O16 -","8","1","KY3061","Gajda, Katarzyna; Zarychta, Bartosz; Kopka, Katarzyna; Daszkiewicz, Zdzisław; Ejsmont, Krzysztof","Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations","Acta Crystallographica Section C","2014","70","10","987","991","10.1107/S2053229614020634","","","0.71073","MoKα","","0.0672","0.034","","","0.0743","0.0804","","","","","","0.855","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019752","12.7421","0.0011","16.6345","0.0014","20.278","0.003","90","","90","","90","","4298.1","0.8","145","2","145","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl)(ethenyl)(ferrocenyl)boronium hexafluoridophosphate","","- C22 H20 B F6 Fe N2 P -","- C22 H20 B F6 Fe N2 P -","- C176 H160 B8 F48 Fe8 N16 P8 -","8","1","","Bats, Jan W.; Ma, Kuangbiao; Lerner, Hans-Wolfram","Four (2,2'-bipyridyl)(ferrocenyl)boronium derivatives","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025406","","","0.71073","MoKα","","0.0592","0.0349","","","0.0762","0.086","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019756","7.0133","0.0005","17.8399","0.0013","25.0044","0.0018","90","","90","","90","","3128.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one bromide/chloride (0.343/0.657)","","- C16 H22 Br0.34 Cl0.66 N O3 -","- C16 H22 Br0.3432 Cl0.6568 N O3 -","- C128 H176 Br2.7456 Cl5.2544 N8 O24 -","8","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0277","0.0246","","","0.0641","0.0662","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019766","13.4478","0.0002","7.9458","0.0001","19.7535","0.0003","90","","90","","90","","2110.73","0.05","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenylindolin-2-one","","- C14 H11 N O -","- C14 H11 N O -","- C112 H88 N8 O8 -","8","1","YO3001","Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi","Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614026874","","","0.71073","MoKα","","0.046","0.0416","","","0.1161","0.1214","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019802","13.87","0.003","19.023","0.004","19.238","0.004","90","","90","","90","","5075.9","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","","- C24 H15 N2 O10 Zn2 -","- C24 H13 N2 O10 Zn2 -","- C192 H104 N16 O80 Zn16 -","8","1","FA3357","Wen, Meng; Xiao, Zu-Ping; Wang, Chun-Ya; Huang, Xi-He","A three-dimensional coordination polymer based on the Zn~4~(μ~3~-OH)~2~ unit: poly[[(μ~4~-benzene-1,4-dicarboxylato)bis(μ~3~-benzene-1,4-dicarboxylato)bis(μ~3~-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000467","","","0.71073","MoKα","","0.064","0.0595","","","0.1092","0.1112","","","","","","1.152","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019807","8.9129","0.0004","13.9987","0.0007","32.2568","0.0016","90","","90","","90","","4024.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","C23H19CuN3O3","(Pyridine-κ<i>N</i>)bis(quinolin-2-olato-κ^2^<i>N</i>,<i>O</i>)copper(II) monohydrate","","- C23 H19 Cu N3 O3 -","- C23 H19 Cu N3 O3 -","- C184 H152 Cu8 N24 O24 -","8","1","JJ2192","Hawks, Benjamin; Yan, Jingjing; Basa, Prem; Burdette, Shawn","Crystal structure of (pyridine-κN)bis(quinolin-2-olato-κ2N,O)copper(II) monohydrate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","m38","","10.1107/S2056989015001279","","","0.71073","MoKα","","0.0774","0.0377","","","0.0797","0.0925","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019847","13.0774","0.0005","13.4537","0.0005","26.5153","0.0009","90","","90","","90","","4665.1","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κ<i>N</i>]ethyl}pyridine-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride","","- C23 H27 Cl3 N3 Rh -","- C23 H27 Cl3 N3 Rh -","- C184 H216 Cl24 N24 Rh8 -","8","1","RZ5146","Devika, Neelakandan; Raja, Nandhagopal; Ananthalakshmi, Subbiah; Therrien, Bruno","Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","248","","10.1107/S205698901500184X","","","0.71073","MoKα","","0.0587","0.0318","","","0.0501","0.0535","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019863","7.1094","0.0017","20.94","0.005","20.94","","90","","90","","90","","3117.4","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,3-Bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","","- C15 H11 Cl2 N O2 S -","- C15 H11 Cl2 N O2 S -","- C120 H88 Cl16 N8 O16 S8 -","8","1","SU5062","Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J.","Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","264","","10.1107/S2056989015001954","","","0.71073","MoKα","","0.0791","0.0513","","","0.1263","0.1381","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019923","20.656","0.004","17.666","0.004","31.305","0.006","90","","90","","90","","11423","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","trans-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^2N,N')chromium(III) perchlorate","","- C10 H28 Br2 Cl Cr N4 O4 -","- C10 H28 Br2 Cl Cr N4 O4 -","- C240 H672 Br48 Cl24 Cr24 N96 O96 -","24","3","EG3179","Moon, Dohyun; Choi, Jong-Ha","Synthesis, crystal structure and spectroscopic properties of <i>trans</i>-dibromidobis(2,2-dimethylpropane-1,3-diamine-κ^2^<i>N,N</i>')chromium(III) perchlorate","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006026","","","0.62998","synchrotron","","0.0362","0.0308","","","0.0831","0.086","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019926","7.1305","0.0005","12.5719","0.001","27.745","0.002","90","","90","","90","","2487.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Methylpiperazine-1,4-diium bis(dihydrogen phosphate)","","- C5 H18 N2 O8 P2 -","- C5 H18 N2 O8 P2 -","- C40 H144 N16 O64 P16 -","8","1","UK3112","Jagan, R.; Sathya, D.; Sivakumar, K.","A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate‒orthophosphoric acid (1/1)","Acta Crystallographica Section C","2015","71","5","","","10.1107/S2053229615006518","","","0.71073","MoKα","","0.0656","0.041","","","0.0968","0.1106","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019957","14.0819","0.0007","9.747","0.0005","24.0399","0.0012","90","","90","","90","","3299.6","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 6-bromo-2-[(<i>E</i>)-2-phenylethenyl]quinoline-4-carboxylate","","- C20 H16 Br N O2 -","- C20 H16 Br N O2 -","- C160 H128 Br8 N8 O16 -","8","1","SU5042","Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.","Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate","Acta Crystallographica Section E Crystallographic Communications","2015","71","2","o121","","10.1107/S2056989014028266","","","1.54178","CuKα","","0.0566","0.0459","","","0.1228","0.1341","","","","","","1.043","","","","has coordinates,has Fobs","136871","2020-10-21","18:00:00",""
"2019998","13.4314","0.0004","8.2405","0.0004","29.9252","0.0009","90","","90","","90","","3312.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[4-(prop-1-en-2-yl)phenyl]prop-2-en-1-one","","- C18 H14 Cl2 O -","- C18 H14 Cl2 O -","- C144 H112 Cl16 O8 -","8","1","SK3593","Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors","Acta Crystallographica Section C","2015","71","7","","","10.1107/S2053229615011961","","","0.71073","MoKα","","0.0994","0.058","","","0.1747","0.2063","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","139704","2020-10-21","18:00:00",""
"2020052","16.7032","0.0006","12.0743","0.0004","12.0288","0.0004","90","","90","","90","","2425.96","0.14","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride","","- C6 H18 Cl Co N6 O4 -","- C6 H18 Cl Co N6 O4 -","- C48 H144 Cl8 Co8 N48 O32 -","8","1","","Guzei, Ilia A.; Arderne, Charmaine","Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride","Acta Crystallographica Section C","2015","71","8","","","10.1107/S205322961501270X","","","0.71073","MoKα","","0.0194","0.0179","","","0.0548","0.0563","","","","","","1.074","","","","has coordinates,has Fobs","152106","2020-10-21","18:00:00",""
"2020071","8.2717","0.0002","17.453","0.0003","23.3501","0.0005","90","","90","","90","","3370.96","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Phenyl-5-[(thiophen-2-yl)methylidene]-3-{[(<i>E</i>)-(thiophen-2-yl)methylidene]amino}-3,5-dihydro-4<i>H</i>-imidazol-4-one","","- C19 H13 N3 O S2 -","- C19 H13 N3 O S2 -","- C152 H104 N24 O8 S16 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0543","0.0428","","","0.1098","0.1195","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","152603","2020-10-21","18:00:00",""
"2020072","16.6123","0.0003","9.7589","0.0002","17.7543","0.0004","90","","90","","90","","2878.29","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (2<i>Z</i>)-2-(benzoylamino)-3-(thiophen-2-yl)prop-2-enoate","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","1","SK3595","Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher","Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly","Acta Crystallographica Section C","2015","71","8","","","10.1107/S2053229615013637","","","0.71073","MoKα","","0.0632","0.0454","","","0.1066","0.1177","","","","","","1.065","","","","has coordinates,has Fobs","152603","2020-10-21","18:00:00",""
"2020080","10.2561","0.0018","17.088","0.003","22.205","0.004","90","","90","","90","","3891.6","1.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)butane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-iodobenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cobalt(II)","","- C18 H17 Co I N4 O4 -","- C18 H17 Co I N4 O4 -","- C144 H136 Co8 I8 N32 O32 -","8","1","LY3018","Zhang, Xu; Zhang, Lei; Wang, Meng-Jie; Zhang, Kou-Lin","Synthesis, structure and characterization of two new metal‒organic coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxylate","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014655","","","0.71073","MoKα","","0.0756","0.04","","","0.0789","0.0895","","","","","","1.031","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2020118","15.4687","0.0004","18.5439","0.0005","22.8784","0.0007","90","","90","","90","","6562.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetrabutylammonium) dichloride dodecachlorohexasilane benzene disolvate","","- C44 H84 Cl14 N2 Si6 -","- C44 H84 Cl14 N2 Si6 -","- C176 H336 Cl56 N8 Si24 -","4","0.5","SK3599","Tillmann, Jan; Lerner, Hans-Wolfram; Bolte, Michael","A structural study of Si~6~-ring-containing [Si~6~Cl~14~]^2{-^} chlorosilicates","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016484","","","0.71073","MoKα","","0.0745","0.0578","","","0.1398","0.1499","","","","","","1.079","","","","has coordinates,has Fobs","158198","2020-10-21","18:00:00",""
"2020142","6.988","","13.569","","15.431","","90","","90","","90","","1463.17","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Hg3 O2 (N O3)2","","- Hg3 N2 O8 -","- Hg3 N2 O8 -","- Hg24 N16 O64 -","8","1","","Behm, H.","Trimercury Dinitrate Dioxide, Hg3 O2 (N O3)2","Acta Crystallographica C (39,1983-)","1983","39","","1319","1321","","","","","","","","","","","","","","","","","","","","","","has coordinates","162229","2020-10-21","18:00:00",""
"2020154","10.318","","9.737","","14.475","","90","","90","","90","","1454.25","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Th (Mo O4)2","","- Mo2 O8 Th -","- Mo2 O8 Th -","- Mo16 O64 Th8 -","8","1","","Cremers, T.L.; Eller, P.G.; Penneman, R.A.","Orthorombic thorium(IV) molybdate, Th (Mo O4)2","Acta Crystallographica C (39,1983-)","1983","39","","1165","1167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020178","8.647","","8.807","","24.328","","90","","90","","90","","1852.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li2.08 Ti.92 In1.08 (P O4)3","","- In1.08 Li2.08 O12 P3 Ti0.92 -","- In1.08 Li2 O12 P3 Ti0.92 -","- In8.64 Li16 O96 P24 Ti7.36 -","8","1","","Duc Tran Qui; Hamdoune, S.","Structure of the orthorhombic phase of Li1+x Ti2-x Inx P3 O12, x=1.08","Acta Crystallographica C (39,1983-)","1988","44","","1360","1362","","","","","","","","","","","","","","","","","","","","","","has coordinates","166157","2020-10-21","18:00:00",""
"2020180","7.717","","13.225","","14.549","","90","","90","","90","","1484.83","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cu Fe2 (O H)2 (As O4)2","","- As2 Cu Fe2 H2 O10 -","- As2 Cu Fe2 H2 O10 -","- As16 Cu8 Fe16 H16 O80 -","8","1","","Effenberger, H.","Structure of copper(II) diiron(III) dihydroxide diarsenate(V)","Acta Crystallographica C (39,1983-)","1988","44","","2041","2043","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020229","15.14","","17.402","","17.309","","90","","90","","90","","4560.34","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S8 (Sb3 F14) (Sb F6)","","- F20 S8 Sb4 -","- F20 S8 Sb4 -","- F160 S64 Sb32 -","8","1","","Faggiani, R.; Gillespie, R.J.; Sawyer, J.F.; Vekris, J.E.","Structures of nonadecasulfur bis(hexafluoroantimonate, octasulfur di-mue-fluoro-dodecafluorotriantimonate hexafluoroantimonate and tetrasulfur di-mue-difluoroantimony muefluoro-tetrafluorodiantimony pentakis(hexafluoroantimonate)","Acta Crystallographica C (39,1983-)","1989","45","","1847","1853","","","","","","","","","","","","","","","","","","","","","","has coordinates","168637","2020-10-21","18:00:00",""
"2020250","10.408","","10.863","","10.192","","90","","90","","90","","1152.33","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Mn (H P O4) (H2 O)3","","- H7 Mn O7 P -","- H7 Mn O7 P -","- H56 Mn8 O56 P8 -","8","1","","Cudennec, Y.; Riou, A.; Gerault, Y.","Manganese(II) hydrogenphosphate trihydrate","Acta Crystallographica C (39,1983-)","1989","45","","1411","1412","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2020284","19.3847","0.001","9.0716","0.0004","30.3953","0.0012","90","","90","","90","","5345","0.4","170","2","170","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hexyloxy-3-hydroxyphenyl)ethanone","","- C14 H20 O3 -","- C14 H20 O3 -","- C224 H320 O48 -","16","2","FN3208","Manzano, Veronica E.; Baggio, Ricardo; Cukiernik, Fabio D.","Crystallographic identification of an unexpected by-product in an Ullman's reaction toward biphenyls: 1-(4-hexyloxy-3-hydroxyphenyl)ethanone","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615019919","","","0.71073","MoKα","","0.129","0.0665","","","0.1475","0.1892","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","169874","2020-10-21","18:00:00",""
"2020290","9.8434","0.0002","11.3589","0.0003","26.6986","0.0008","90","","90","","90","","2985.18","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","","- C10 H20 O7 P2 -","- C10 H20 O7 P2 -","- C80 H160 O56 P16 -","8","1","QS3050","Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.","A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide","Acta Crystallographica Section C","2015","71","12","","","10.1107/S205322961502015X","","","0.71073","Mo-Kα","","0.0527","0.0464","","","0.0918","0.0944","","","","","","1.136","","","","has coordinates,has Fobs","170207","2020-10-21","18:00:00",""
"2020305","9.35","0.0019","15.95","0.003","26.07","0.005","90","","90","","90","","3887.9","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Glycyl-α-aminoisobutyryl-glycyl-α-aminoisobutyric acid <i>tert</i>-butyl ester","","- C16 H30 N4 O5 -","- C16 H30 N4 O5 -","- C128 H240 N32 O40 -","8","1","LG3179","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The first N-terminal unprotected (Gly-Aib)~<i>n~</i> peptide: H-Gly-Aib-Gly-Aib-O<i>t</i>Bu","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615022597","","","0.65253","synchrotron","","0.0613","0.059","","","0.1486","0.1505","","","","","","1.111","","","","has coordinates,has Fobs","170590","2020-10-21","18:00:00",""
"2020406","6.4055","0.0014","11.587","0.003","15.805","0.004","90","","90","","90","","1173.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[tetra-μ-aqua-[μ~4~-4,4'-diazenediyl-bis(5-oxo-1<i>H</i>-1,2,4-triazolido)]disodium(I)]","","- C4 H10 N8 Na2 O6 -","- C4 H10 N8 Na2 O6 -","- C16 H40 N32 Na8 O24 -","4","0.5","OV3073","Guo, Jiajia; Cao, Wenli; Li, Shuailei; Miao, Kanghua; Song, Jirong; Huang, Jie","Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4'-(diazenediyl)bis(1<i>H</i>-1,2,4-triazol-5-one)","Acta Crystallographica Section C","2016","72","2","166","169","10.1107/S2053229616001509","","","0.71073","MoKα","","0.0427","0.0343","","","0.0834","0.0867","","","","","","1.049","","","","has coordinates,has Fobs","177471","2020-10-21","18:00:00",""
"2020448","18.886","0.003","7.9898","0.0015","19.335","0.003","90","","90","","90","","2917.6","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-6,11-dimethyl-6,11-dihydro-5<i>H</i>-\ benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-8-ol","","- C16 H20 N4 O -","- C16 H20 N4 O -","- C128 H160 N32 O8 -","8","1","YF3101","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six polycyclic pyrimidoazepine derivatives: syntheses, molecular structures and supramolecular assembly","Acta Crystallographica Section C","2016","72","4","346","357","10.1107/S2053229616004654","","","0.71073","MoKα","","0.0835","0.0543","","","0.1147","0.1246","","","","","","1.018","","","","has coordinates,has Fobs","182537","2020-10-21","18:00:00",""
"2020476","7.5932","0.0003","7.5859","0.0004","51.01","0.003","90","","90","","90","","2938.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Fluoro-<i>cis</i>-2-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro-1<i>H</i>-1-\ benzazepin-4-ol","","- C18 H18 F N O -","- C18 H18 F N O -","- C144 H144 F8 N8 O8 -","8","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0502","0.045","","","0.1049","0.1077","","","","","","1.087","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020483","11.7012","0.0007","16.2076","0.001","35.285","0.002","90","","90","","90","","6691.7","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[2,6-Bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","","- C29 H41 Cl N2 Ni O8 P2 -","- C29 H41 Cl N2 Ni O8 P2 -","- C232 H328 Cl8 N16 Ni8 O64 P16 -","8","1","","García-Eleno, Marco A.; Quezada-Miriel, Magdalena; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David","A comparative study of the packing of two polymorphs of the nickel(II) pincer complex [2,6-bis(di-<i>tert</i>-butylphosphinoyl)-4-(3,5-dinitrobenzoyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']chloridonickel(II)","Acta Crystallographica Section C","2016","72","5","393","397","10.1107/S2053229616005143","","","0.71073","MoKα","","0.0863","0.0569","","","0.1062","0.1156","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","183643","2020-10-21","18:00:00",""
"2020496","20.348","0.003","19.511","0.002","22.6059","0.0018","90","","90","","90","","8974.8","1.8","298","1","298","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[(pentafluorophenyl)diphenylphosphane-κ<i>P</i>]bis(2,3,5,6-tetrafluorophenylthiolato-κ<i>S</i>)platinum(II)","","- C48 H22 F18 P2 Pt S2 -","- C48 H22 F18 P2 Pt S2 -","- C384 H176 F144 P16 Pt8 S16 -","8","1","LY3024","Bernès, Sylvain; Meléndez, Francisco J.; Torrens, Hugo","<i>Cis</i>‒<i>trans</i> isomerism in a square-planar platinum(II) complex bearing bulky fluorinated phosphane ligands","Acta Crystallographica Section C","2016","72","4","268","273","10.1107/S2053229616003132","","","0.71073","MoKα","","0.1028","0.0552","","","0.1278","0.1545","","","","","","1.014","","","","has coordinates,has Fobs","182534","2020-10-21","18:00:00",""
"2020563","23.095","0.005","6.843","0.0014","26.222","0.005","90","","90","","90","","4144.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aquabis[μ~3~-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^5^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^]copper(II)dicopper(I)]","","- C20 H12 Cu3 N6 O9 -","- C20 H12 Cu3 N6 O9 -","- C160 H96 Cu24 N48 O72 -","8","1","EG3205","Zhang, Li-Yang; Lu, Li-Ping; Feng, Si-Si","A two-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from 2-(pyridin-3-yl)-1<i>H</i>-imidazole-4,5-dicarboxylate","Acta Crystallographica Section C","2016","72","8","","","10.1107/S205322961601161X","","","0.72","synchrotron","","0.0379","0.035","","","0.0996","0.1015","","","","","","1.077","","","","has coordinates,has Fobs","184617","2020-10-21","18:00:00",""
"2020566","14.73","0.006","12.413","0.005","16.464","0.005","90","","90","","90","","3010","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-[(2-Chloroquinolin-3-yl)methylidene]-2-(4-methylphenyl)hydrazine","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C136 H112 Cl8 N24 -","8","1","SK3635","Kumara, Tholappanavara H. Suresha; Nagendrappa, Gopalpur; Chandrika, Nanjappa; Sowmya, Haliwana B. V.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Reactions between arylhydrazinium chlorides and 2-chloroquinoline-3-carbaldehydes: molecular and supramolecular structures of a hydrazone, a 4,9-dihydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline and two 1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinolines","Acta Crystallographica Section C","2016","72","9","","","10.1107/S205322961601278X","","","0.71073","MoKα","","0.0841","0.0427","","","0.1071","0.1252","","","","","","1.015","","","","has coordinates,has Fobs","185968","2020-10-21","18:00:00",""
"2020633","7.9688","0.0005","12.5553","0.0008","32.4903","0.0018","90","","90","","90","","3250.7","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,6-Dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C20 H18 N4 -","- C20 H18 N4 -","- C160 H144 N32 -","8","1","YP3132","Geiger, David K.; DeStefano, Matthew R.","Conformational differences and intermolecular C—H···N interactions in three polymorphs of a bis(pyridinyl)-substituted benzimidazole","Acta Crystallographica Section C","2016","72","11","867","874","10.1107/S2053229616015837","","","0.71073","MoKa","","0.0574","0.0507","","","0.1341","0.1385","","","","","","1.102","","","","has coordinates,has Fobs","188945","2020-10-21","18:00:00",""
"2020682","9.2236","0.0003","13.5704","0.0005","15.86","0.0005","90","","90","","90","","1985.16","0.12","100","0.2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(2,2,2-Trifluoroethoxy)methyl]pyridinium chloride","","- C8 H9 Cl F3 N O -","- C8 H9 Cl F3 N O -","- C64 H72 Cl8 F24 N8 O8 -","8","1","","Lu, Norman; Alagesan, Mani; Ho, Chi-Liang; Wei, Rong-Jyun; Kung, Chih-Chieh; Chang, Jung-Shan; Wen, Yuh-Sheng; Liu, Ling-Kang","New fluorous ponytailed 4-[(2,2,2-trifluoroethoxy)methyl]pyridinium halide salts","Acta Crystallographica Section C","2016","72","12","1007","1011","10.1107/S2053229616018428","","","0.71073","MoKα","","0.0309","0.0249","","","0.0592","0.0636","","","","","","1.049","","","","has coordinates,has Fobs","188789","2020-10-21","18:00:00",""
"2020720","19.7282","0.0006","9.7644","0.0003","20.7157","0.0007","90","","90","","90","","3990.5","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 F4 N3 O2 S -","- C21 H19 F4 N3 O2 S -","- C168 H152 F32 N24 O16 S8 -","8","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0987","0.0581","","","0.1592","0.2102","","","","","","1.117","","","","has coordinates,has Fobs","192748","2020-10-21","18:00:00",""
"2020742","7.6315","0.0004","7.1244","0.0004","38.0925","0.0015","90","","90","","90","","2071.08","0.18","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","bis(4-arsonoanilinium) tetrachlorocuprate(II)","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]","","- C12 H18 As2 Cl4 Cu N2 O6 -","- C12 H18 As2 Cl4 Cu N2 O6 -","- C48 H72 As8 Cl16 Cu4 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0428","0.0342","","","0.0842","0.0897","","","","","","1.13","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020743","7.5525","0.0004","7.2578","0.0003","38.5872","0.0017","90","","90","","90","","2115.14","0.17","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","catena-[bis(4-arsonoanilinium) tetrachlorocadmate]","Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cadmate(II)]]","","- C12 H18 As2 Cd Cl4 N2 O6 -","- C12 H18 As2 Cd Cl4 N2 O6 -","- C48 H72 As8 Cd4 Cl16 N8 O24 -","4","0.5","KY3114","Smith, Graham; Wermuth, Urs D.","Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride","Acta Crystallographica Section C","2017","73","4","","","10.1107/S205322961700314X","","","0.71073","MoKα","","0.0397","0.0319","","","0.0664","0.0701","","","","","","1.109","","","","has coordinates,has Fobs","194123","2020-10-21","18:00:00",""
"2020831","9.6085","0.0004","10.3246","0.0005","27.7296","0.0013","90","","90","","90","","2750.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>-[(4-nitrophenyl)sulfonyl]benzamide","","- C13 H9 Br N2 O5 S -","- C13 H9 Br N2 O5 S -","- C104 H72 Br8 N16 O40 S8 -","8","1","","Naveen, S.; Sudha, A. G.; Suresha, E.; Lokanath, N. K.; Suchetan, P. A.; Abdoh, M.","Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide","Acta Crystallographica Section E Crystallographic Communications","2017","73","3","314","","10.1107/S2056989017001578","","","1.54178","CuKα","","0.0504","0.0499","","","0.1374","0.138","","","","","","1.124","","","","has coordinates,has Fobs","199121","2020-10-21","18:00:00",""
"2020858","6.9132","0.0008","8.9917","0.001","36.898","0.004","90","","90","","90","","2293.6","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thymine‒catechol (1/1)","5-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione‒benzene-1,2-diol (1/1)","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C88 H96 N16 O32 -","8","1","","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Four cocrystals of thymine with phenolic coformers: influence of the coformer on hydrogen bonding","Acta Crystallographica Section C Structural Chemistry","2015","71","7","602","","10.1107/S2053229615011614","","","0.71073","MoKα","","0.0613","0.0511","","","0.1283","0.1342","","","","","","1.17","","","","has coordinates,has Fobs","199944","2020-10-21","18:00:00",""
"2020898","5.1217","0.0009","9.8397","0.0014","21.914","0.004","90","","90","","90","","1104.4","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","26-DAP","Pyridine-2,6-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","QS3064","Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A.","A new polymorph of 2,6-diaminopyridine","Acta Crystallographica Section C","2017","73","11","990","993","10.1107/S2053229617014978","","","0.71073","MoKα","","0.1189","0.0561","","","0.1204","0.149","","","","","","0.984","","","","has coordinates,has Fobs","205301","2020-10-21","18:00:00",""
"2020917","9.207","0.0002","8.21","0.0002","28.27","0.0007","90","","90","","90","","2136.91","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxypropyl)-3-phenylprop-2-enamide","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0504","0.0397","","","0.0928","0.0983","","","","","","1.047","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020918","10.627","0.0004","9.249","0.0004","24.623","0.0009","90","","90","","90","","2420.17","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","YP3145","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Crystallographic studies of cinnamamide derivatives as a means of searching for anticonvulsant activity","Acta Crystallographica Section C","2017","73","11","953","959","10.1107/S2053229617013845","","","0.71073","MoKα","","0.0712","0.0482","","","0.1242","0.1371","","","","","","1.038","","","","has coordinates,has Fobs","205313","2020-10-21","18:00:00",""
"2020965","18.4485","0.0004","11.6452","0.0003","19.5931","0.0005","90","","90","","90","","4209.31","0.18","130","4","130","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9,9-Bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C216 H192 N16 O16 -","8","1","FN3256","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","0.71073","MoKα","","0.0436","0.0374","","","0.0889","0.0934","","","","","","1.077","","","","has coordinates,has Fobs","205535","2020-10-21","18:00:00",""
"2021023","11.202","0.0019","16.609","0.003","19.85","0.006","90","","90","","90","","3693.2","1.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>,2,6,11-Tetramethyl-<i>N</i>-phenyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-amine","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.1139","0.0564","","","0.0897","0.1094","","","","","","1.087","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021054","13.2054","0.0002","12.4456","0.0002","16.8489","0.0003","90","","90","","90","","2769.1","0.08","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,5-Bis(dibenzylamino)-3,6-dichloro-<i>p</i>-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C136 H120 Cl8 N8 O8 -","4","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0461","0.0394","","","0.1097","0.1151","","","","","","1.075","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021063","15.0087","0.0016","13.8489","0.0013","19.52","0.002","90","","90","","90","","4057.3","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxybenzophenone","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.1027","0.0465","","","0.1038","0.1307","","","","","","1.005","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021080","10.1342","0.0014","17.938","0.002","28.071","0.004","90","","90","","90","","5103","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(μ-5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ-1,2-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","","- C22 H16 Br3 Co N5 O4 -","- C22 H16 Br3 Co N5 O4 -","- C176 H128 Br24 Co8 N40 O32 -","8","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.077","0.0346","","","0.0574","0.066","","","","","","0.999","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021082","9.5097","0.0013","17.921","0.002","20.011","0.003","90","","90","","90","","3410.3","0.8","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(3,4-Dimethylphenyl)-4-(3-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C144 H128 F24 N24 O8 -","8","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0644","0.0372","","","0.0964","0.1135","","","","","","1.016","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021090","19.0566","0.0008","15.5255","0.001","24.0975","0.0014","90","","90","","90","","7129.6","0.7","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[triphenyllead(IV)]-μ-chlorido-[triphenyllead(IV)]-μ-dimethylarsinato-κ^2^<i>O</i>:<i>O</i>']","","- C38 H36 As Cl O2 Pb2 -","- C38 H36 As Cl O2 Pb2 -","- C304 H288 As8 Cl8 O16 Pb16 -","8","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0635","0.0398","","","0.0741","0.079","","","","","","1.048","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021105","13.9163","0.0005","20.4248","0.0007","23.0316","0.0008","90","","90","","90","","6546.4","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Octakis(μ~3~-benzyloxo-κ<i>O</i>:κ<i>O</i>:κ<i>O</i>)hexaethylheptazinc","","- C68 H86 O8 Zn7 -","- C68 H86 O8 Zn7 -","- C272 H344 O32 Zn28 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0334","0.0239","","","0.0517","0.0548","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021130","6.7095","0.0003","13.7764","0.0006","30.7205","0.0015","90","","90","","90","","2839.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Theophylline‒3,4-dihydroxybenzoic acid (1/1)","1,3-Dimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione‒\ 3,4-dihydroxybenzoic acid (1/1)","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","RH3004","Mnguni, Malitsatsi J.; Michael, Joseph P.; Lemmerer, Andreas","Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline‒3,4-dihydroxybenzoic acid","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006861","","","0.71073","MoKα","","0.1007","0.0478","","","0.1007","0.1229","","","","","","0.999","","","","has coordinates,has Fobs","207943","2020-10-21","18:00:00",""
"2021163","20.6531","0.0014","9.5629","0.0007","22.4489","0.0016","90","","90","","90","","4433.7","0.5","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Xanthenedione","9-(5-Bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C192 H216 Br8 O32 -","8","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.1421","0.0572","","","","0.13","","","","","","0.994","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021176","12.387","0.003","14.684","0.003","20.016","0.004","90","","90","","90","","3640.7","1.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-<i>trans</i>-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^)cadmium(II)]","","- C20 H15 Cd N3 O5 -","- C20 H15 Cd N3 O5 -","- C160 H120 Cd8 N24 O40 -","8","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0235","0.0201","","","0.0513","0.0536","","","","","","1.137","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021212","7.5749","0.0002","13.4138","0.0004","46.3793","0.0014","90","","90","","90","","4712.5","0.2","120","2","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>^1^-(2-Nitrophenyl)-<i>N</i>^2^,<i>N</i>^2^-bis[2-[(2-nitroanilino)ethyl]ethane-1,2-diamine","","- C24 H27 N7 O6 -","- C24 H27 N7 O6 -","- C192 H216 N56 O48 -","8","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.033","0.0314","","","0.078","0.0791","","","","","","1.063","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021278","16.1062","0.0017","26.512","0.003","45.569","0.005","90","","90","","90","","19458","4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H152.95 Al Mo6 N5 O32.73 -","- C73 H152.952 Al Mo6 N5 O32.726 -","- C584 H1223.62 Al8 Mo48 N40 O261.808 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0766","0.0656","","","0.1392","0.1436","","","","","","1.238","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021279","21.8904","0.0006","23.9848","0.0006","37.719","0.001","90","","90","","90","","19803.9","0.9","200","","200","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H150 Al Cl Mo6 N5 O36 -","- C71 H150 Al Cl Mo6 N5 O36 -","- C568 H1200 Al8 Cl8 Mo48 N40 O288 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0367","0.029","","","0.0708","0.0754","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021312","7.3584","0.0005","7.2979","0.0005","37.576","0.002","90","","90","","90","","2017.9","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Fluorophenyl)carbonyl]morpholine","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C88 H96 F8 N8 O16 -","8","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0995","0.0459","","","0.0707","0.0852","","","","","","0.969","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021355","15.9624","0.0012","15.8047","0.0011","32.747","0.002","90","","90","","90","","8261.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κ<i>N</i>^7^)bis(tetrahydrofuran-κ<i>O</i>)iron(II)","","- C48 H52 Fe N6 O2 -","- C48 H52 Fe N6 O2 -","- C384 H416 Fe8 N48 O16 -","8","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.0639","0.0427","","","0.1009","0.111","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","212004","2020-10-21","18:00:00",""
"2021415","12.3448","0.0014","9.9435","0.0013","16.9904","0.0019","90","","90","","90","","2085.6","0.4","100","2","99.98","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Propylenediaminium ethylenedinitramine","Propane-1,3-diaminium (ethane-1,2-diyl)bis(nitroazanide)","","- C5 H16 N6 O4 -","- C5 H16 N6 O4 -","- C40 H128 N48 O32 -","8","1","WQ3142","Roodt, Gerhard T.; Uprety, Bhawna; Levendis, Demetrius C.; Arderne, Charmaine","Energetic propane-1,3-diaminium and butane-1,4-diaminium salts of <i>N</i>,<i>N</i>'-dinitroethylenediazanide: syntheses, crystal structures and thermal properties","Acta Crystallographica Section C","2019","75","1","54","60","10.1107/S2053229618017588","","","0.71073","MoKα","","0.0737","0.0461","","","0.1022","0.1147","","","","","","1.016","","","","has coordinates,has Fobs","213460","2020-10-21","18:00:00",""
"2021477","16.7332","0.0008","8.2012","0.0003","28.0902","0.0013","90","","90","","90","","3854.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3c","Dibenzyl [hydroxy(4-methylphenyl)methyl]phosphonate","","- C22 H23 O4 P -","- C22 H23 O4 P -","- C176 H184 O32 P8 -","8","1","KU3235","Rádai, Zita; Kiss, Nóra Zsuzsa; Czugler, Mátyás; Karaghiosoff, Konstantin; Keglevich, György","The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001839","","","0.71073","MoKα","","0.0938","0.0556","","","0.1275","0.1501","","","","","","1.021","","","","has coordinates,has Fobs","213617","2020-10-21","18:00:00",""
"2021532","8.898","0.0005","13.0356","0.0008","46.455","0.003","90","","90","","90","","5388.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyldimethyl{3-[(1-oxotetradecyl)amino]propyl}ammonium chloride monohydrate","","- C26 H49 Cl N2 O2 -","- C26 H49 Cl N2 O2 -","- C208 H392 Cl8 N16 O16 -","8","1","CU3137","Dolgushin, Fedor M.; Goloveshkin, Alexander S.; Ananyev, Ivan V.; Osintseva, Svetlana V.; Torubaev, Yury V.; Krylov, Sergey S.; Golub, Alexandre S.","Interplay of noncovalent interactions in antiseptic quaternary ammonium surfactant Miramistin","Acta Crystallographica Section C","2019","75","4","402","411","10.1107/S2053229619002961","","","0.71073","MoKα","","0.0723","0.0471","","","0.1061","0.1224","","","","","","1.041","","","","has coordinates,has Fobs","214916","2020-10-21","18:00:00",""
"2021574","26.3241","0.0004","7.1612","0.0001","33.8433","0.0005","90","","90","","90","","6379.87","0.16","300","2","300.39","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Benzoylmetronidazole‒resorcinol (2/1)","2-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)ethyl benzoate‒resorcinol (2/1)","","- C32 H32 N6 O10 -","- C32 H32 N6 O10 -","- C256 H256 N48 O80 -","8","1","JX3032","Santiago de Oliveira, Yara; Saraiva Costa, Wendell; Ferreira Borges, Poliana; Silmara Alves de Santana, Maria; Ayala, Alejandro Pedro","The design of novel metronidazole benzoate structures: exploring stoichiometric diversity","Acta Crystallographica Section C","2019","75","5","","","10.1107/S2053229619003838","","","1.54178","CuKα","","0.0579","0.0484","","","0.1329","0.1466","","","","","","1.033","","","","has coordinates,has Fobs","214564","2020-10-21","18:00:00",""
"2021584","9.79942","0.0001","15.51827","0.00019","21.7339","0.0002","90","","90","","90","","3305.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')bis(tricarbonylosmium)(<i>Os</i>—<i>Os</i>)","","- C12 H10 O10 Os2 -","- C12 H10 O10 Os2 -","- C96 H80 O80 Os16 -","8","1","YP3178","Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B.","Asymmetric diosmium sawhorse complexes","Acta Crystallographica Section C","2019","75","5","529","537","10.1107/S2053229619004236","","x-ray","1.54184","CuKα","","0.0187","0.0175","","","0.0385","0.0391","","","","","","1.034","","","","has coordinates,has Fobs","215660","2020-10-21","18:00:00",""
"2021592","10.51085","0.00016","22.2419","0.0005","28.8403","0.0005","90","","90","","90","","6742.3","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-(<i>E</i>)-2-({[3-(diethylamino)propyl]imino}methyl)phenolato]-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II) perchlorate","","- C32 H41 Cl Cu2 N4 O8 -","- C32 H41 Cl Cu2 N4 O8 -","- C256 H328 Cl8 Cu16 N32 O64 -","8","1","FN3293","Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.","The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase","Acta Crystallographica Section C","2019","75","5","538","544","10.1107/S2053229619003267","","","0.71073","MoKα","","0.12","0.0527","","","0.1031","0.1349","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","215664","2020-10-21","18:00:00",""
"2021655","13.0369","0.0008","13.0804","0.0007","16.2223","0.0008","90","","90","","90","","2766.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one","","- C17 H11 N3 O2 -","- C17 H11 N3 O2 -","- C136 H88 N24 O16 -","8","1","KU3237","Shishkina, Svitlana V.; Konovalova, Irina S.; Trostianko, Pavlo V.; Geleverya, Anna O.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Three polymorphs of 3-(3-phenyl-1<i>H</i>-1,2,4-triazol-5-yl)-2<i>H</i>-1-benzopyran-2-one formed from different solvents","Acta Crystallographica Section C","2019","75","6","822","832","10.1107/S2053229619006405","","","0.71073","MoKα","","0.0778","0.0532","","","0.1481","0.1697","","","","","","1.067","","","","has coordinates,has Fobs","215627","2020-10-21","18:00:00",""
"2021718","22.1247","0.0017","8.7081","0.0008","18.2738","0.0015","90","","90","","90","","3520.7","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Lesinurad","2-{[5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4<i>H</i>-1,2,4-triazol-\ 3-yl]sulfanyl}acetic acid","","- C17 H14 Br N3 O2 S -","- C17 H14 Br N3 O2 S -","- C136 H112 Br8 N24 O16 S8 -","8","1","CU3152","Palanisamy, Vasanthi; Sanphui, Palash; Prakash, Muthuramalingam; Chernyshev, Vladimir","Multicomponent solid forms of the uric acid reabsorption inhibitor lesinurad and cocrystal polymorphs with urea: DFT simulation and solubility study","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008829","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.9246","","","","","","","has coordinates","216919","2020-10-21","18:00:00",""
"2021772","12.251","0.005","7.457","0.003","20.863","0.006","90","","90","","90","","1906","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Hydroxyphenyl)-6-methyl-1<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole","","- C10 H9 N5 O -","- C10 H9 N5 O -","- C80 H72 N40 O8 -","8","1","YP3193","Fusco, Sandra; Capasso, Domenica; Centore, Roberto; Di Gaetano, Sonia; Parisi, Emmanuele","A new biologically active molecular scaffold: crystal structure of 7-(3-hydroxyphenyl)-4-methyl-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole and selective antiproliferative activity of three isomeric triazolo‒triazoles","Acta Crystallographica Section C","2019","75","10","1398","1404","10.1107/S2053229619012403","","x-ray","0.71073","MoKα","","0.1076","0.0557","","","0.1014","0.1183","","","","","","1.065","","","","has coordinates,has Fobs","225384","2020-10-21","18:00:00",""
"2021831","20.8602","0.0003","8.76477","0.00012","34.5299","0.0007","90","","90","","90","","6313.27","0.18","293","2","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate dihydrate","","- C34 H32 Cl2 N2 O8 -","- C34 H32 Cl2 N2 O8 -","- C272 H256 Cl16 N16 O64 -","8","1","FP3076","Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi","Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015432","","x-ray","1.54184","CuKα","","0.0565","0.0427","","","0.1082","0.1189","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","242991","2020-10-21","18:00:00",""
"2021838","12.6186","0.0005","27.239","0.0011","30.2461","0.0011","90","","90","","90","","10396.1","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-5,20-dibenzyl-1,5,9,16,20,24-hexaazapentacyclo[22.6.1.1^9,16^.0^10,15^.0^25,30]dotriaconta-10(15),11,13,25(30),26,28-hexaene-31,32-diylidene]bis{bromido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)}","","- C56 H70 Br2 Ir2 N6 -","- C56 H70 Br2 Ir2 N6 -","- C448 H560 Br16 Ir16 N48 -","8","1","KY3185","Thapa, Rajesh; Kilyanek, Stefan M.","Synthesis and structural characterization of iridium(I) complexes of 20-membered macrocyclic rings bearing chelating bis(N-heterocyclic carbene) ligands","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015006","","","0.71073","MoKα","","0.1057","0.0774","","","0.2145","0.2369","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","242994","2020-10-21","18:00:00",""
"2021848","10.6325","0.0002","14.7734","0.0002","21.7751","0.0004","90","","90","","90","","3420.39","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-Methoxyphenyl)-1,1-diphenylbut-1-en-3-yne","","- C23 H18 O -","- C23 H18 O -","- C184 H144 O8 -","8","1","QS3087","Pineda, Leslie W.; Arias, María Laura; Cabezas, Jorge A.","Crystal structures and biological activity of 1,1,4-triphenyl-substituted 1,3-enyne compounds","Acta Crystallographica Section C","2020","76","1","87","92","10.1107/S2053229619016127","","","1.54178","CuKα","","0.052","0.0433","","","0.1047","0.11","","","","","","1.041","","","","has coordinates,has Fobs","247890","2020-10-21","18:00:00",""
"2021871","11.0232","0.0002","15.1645","0.0002","24.2826","0.0001","90","","90","","90","","4059.11","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(dipropylthiocarbamoyl)disulfide","","- C14 H28 N2 S4 -","- C14 H28 N2 S4 -","- C112 H224 N16 S32 -","8","1","","Jian, F.; Jiang, L.; Fun, H.-K.; Chinnakali, K.; Razak, I. A.; You, X.","Bis(dipropylthiocarbamoyl) disulfide","Acta Crystallographica Section C Crystal Structure Communications","1999","55","4","573","","10.1107/S010827019801573X","","","0.71073","MoKα","","0.078","0.051","","","","0.143","","","","","","1.06","","","","has coordinates","246031","2020-10-21","18:00:00",""
"2021922","9.1905","0.0018","8.0558","0.0017","14.564","0.003","90","","90","","90","","1078.3","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 F4 N4 -","- C12 F4 N4 -","- C48 F16 N16 -","4","0.5","","Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab","Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","1","71","","10.1107/S2052520618017109","","","0.71073","MoKα","","0.1403","0.0708","","","0.1147","0.133","","","","","","1.119","","","","has coordinates","246120","2020-10-21","18:00:00",""
"2021949","8.517","0.0002","10.019","0.0002","32.323","0.0007","90","","90","","90","","2758.18","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound X","1-[(2,3-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","","0.71073","MoKα","","0.0655","0.0434","","","0.0862","0.0953","","","","13.639","13.639","1.046","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021968","7.185","0.003","12.917","0.006","13.697","0.006","90","","90","","90","","1271.2","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone","3-Hydroxy-1,2-dimethylpyridin-4-one","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","CU3158","Rajendrakumar, Satyasree; Durga, Anuja Surampudi Venkata Sai; Nanubolu, Jagadeesh Babu; Balasubramanian, Sridhar","Two novel polymorphic forms of iron-chelating agent deferiprone","Acta Crystallographica Section C","2020","76","2","193","200","10.1107/S2053229620000959","","","0.71073","MoKα","","0.0434","0.0416","","","0.1149","0.1165","","","","","","1.107","","","","has coordinates,has Fobs","247437","2020-10-21","18:00:00",""
"2022014","11.379","0.0002","10.5694","0.0002","13.1314","0.0002","90","","90","","90","","1579.3","0.05","120","0.2","120","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0219","0.0219","","","0.0552","0.0552","","","","","","1.038","","","","has coordinates","250593","2020-10-21","18:00:00",""
"2022017","11.827","0.002","7.875","0.002","23.504","0.005","90","","90","","90","","2189.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0322","0.0269","","","0.0652","0.0674","","","","","","1.108","","","","has coordinates","250596","2020-10-21","18:00:00",""
"2022024","12.925","0.003","8.273","0.002","23.954","0.005","90","","90","","90","","2561.4","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C128 H88 N8 O24 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0369","0.031","","","0.082","0.0856","","","","","","1.0595","","","","has coordinates","250603","2020-10-21","18:00:00",""
"2022039","11.4425","0.0003","10.6106","0.0003","13.1558","0.0004","90","","90","","90","","1597.27","0.08","20","0.1","20","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0275","0.0275","","","0.0677","0.0677","","","","","","1.0758","","","","has coordinates","250618","2020-10-21","18:00:00",""
"2022047","8.3222","0.0002","9.5441","0.0002","27.0123","0.0006","90","","90","","90","","2145.53","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0149","0.0149","","","0.0367","0.0367","","","","","","1.0616","","","","has coordinates","250626","2020-10-21","18:00:00",""
"2022057","8.977","0.007","9.186","0.007","10.003","0.007","90","","90","","90","","824.9","1.1","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 N O3 P -","- C H6 N O3 P -","- C8 H48 N8 O24 P8 -","8","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0283","0.0192","","","0.0435","0.0465","","","","","","1.1385","","","","has coordinates","250636","2020-10-21","18:00:00",""
"2022156","17.5058","0.0014","8.8163","0.0006","21.2092","0.0016","90","","90","","90","","3273.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(thiophen-2-yl)ethylidene]indolin-2-one","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C168 H120 N8 O16 S8 -","8","1","SK3748","Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products","Acta Crystallographica Section C","2020","76","5","433","445","10.1107/S2053229620004143","","","0.71073","MoKα","","0.0546","0.0378","","","0.0818","0.092","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","252950","2020-10-21","18:00:00",""
"2022162","11.5455","0.0006","11.8865","0.0006","25.3868","0.0012","90","","90","","90","","3484","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)(triethylenetetramine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride perchlorate","","- C10 H25 Cl2 Co N6 O7 -","- C10 H25 Cl2 Co N6 O7 -","- C80 H200 Cl16 Co8 N48 O56 -","8","1","","Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi","Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains","Acta Crystallographica Section C","2020","76","7","","","10.1107/S2053229620007123","","","0.71073","MoKα","","0.0949","0.0492","","","0.0768","0.0872","","","","","","1.028","","","","has coordinates,has Fobs","252977","2020-10-21","18:00:00",""
"2022231","13.273","0.0016","14.8012","0.0016","20.137","0.002","90","","90","","90","","3956","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-benzoyl-2-methyl-4-(3-methylstyryl)quinoline","","- C26 H21 N O -","- C26 H21 N O -","- C208 H168 N8 O8 -","8","1","","Rodríguez, Diego; Guerrero, Sergio Andrés; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","4-Styrylquinolines from cyclocondensation reactions between (2-aminophenyl)chalcones and 1,3-diketones: crystal structures and regiochemistry","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620010803","","","0.71073","MoKα","","0.144","0.1172","","","0.1909","0.2005","","","","","","1.303","","","","has coordinates","255314","2020-10-21","18:00:00",""
"2022242","26.26089","0.00017","12.39989","0.00008","29.17764","0.00019","90","","90","","90","","9501.18","0.11","149.7","0.8","149.7","0.8","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)","","- C54 H52 B Co N7 S2 -","- C54 H52 B Co N7 S2 -","- C432 H416 B8 Co8 N56 S16 -","8","1","YP3208","Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.","Conformational polymorphism in a cobalt(II) dithiocarbamate complex","Acta Crystallographica Section C","2020","76","9","","","10.1107/S205322962001164X","","x-ray","1.54184","CuKα","","0.0403","0.0356","","","0.0893","0.092","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","255738","2020-10-21","18:00:00",""
"2022257","7.1293","0.0004","18.8368","0.0011","34.752","0.002","90","","90","","90","","4667","0.5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Poly[(μ~2~-4-amino-2-methyl-5-methoxyazobenzene-2',4'-disulfonato)di-μ-aqua-diaquabarium(II)] dihydrate]","Poly[[{μ~2~-4-[2-(4-amino-2-methyl-5-methoxyphenyl)diazen-1-yl]benzene-1,3-disulfonato}di-μ-aqua-diaquabarium(II)] dihydrate]","","- C14 H25 Ba N3 O13 S2 -","- C14 H25 Ba N3 O13 S2 -","- C112 H200 Ba8 N24 O104 S16 -","8","1","YF3208","Gardner, Heather C.; Kennedy, Alan R.; McCarney, Karen M.; Staunton, Edward; Stewart, Heather; Teat, Simon J.","Structures of five salt forms of disulfonated monoazo dyes","Acta Crystallographica Section C","2020","76","10","972","981","10.1107/S2053229620012735","","","0.71073","MoKα","","0.0621","0.042","","","0.0877","0.0957","","","","","","1.146","","","","has coordinates,has Fobs","259028","2020-11-06","23:56:24",""
"2022293","12.2191","0.0013","8.1593","0.0009","22.788","0.002","90","","90","","90","","2271.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C96 H88 N40 O8 -","8","1","QF3045","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.","Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2021","77","1","20","28","10.1107/S2053229620015508","","","0.71073","MoKα","","0.085","0.0539","","","0.1326","0.1583","","","","","","1.046","","","","has coordinates,has Fobs","261802","2021-02-05","14:54:11",""
"2022298","6.921","0.0009","7.2371","0.0017","42.396","0.008","90","","90","","90","","2123.5","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 4-amino-3-phenylisothiazole-5-carboxylate","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C88 H80 N16 O16 S8 -","8","1","VP3011","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.","Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study","Acta Crystallographica Section C","2021","77","1","40","48","10.1107/S2053229620016356","","","0.71073","MoKα","","0.09","0.0561","","","0.1291","0.146","","","","","","1.044","","","","has coordinates,has Fobs","261801","2021-02-05","14:53:46",""
"2022439","8.5853","0.0005","11.6911","0.0007","23.4148","0.0017","90","","90","","90","","2350.2","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Thiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1)","","- C7 H4 F4 I2 N2 S -","- C7 H4 F4 I2 N2 S -","- C56 H32 F32 I16 N16 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.021","0.0189","","","0.044","0.0458","","","","","","1.105","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:23",""
"2022455","8.6153","0.0006","9.3766","0.0005","29.173","0.002","90","","90","","90","","2356.7","0.3","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Bromotryptammonium chloride","2-(5-Bromo-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Br Cl N2 -","- C10 H12 Br Cl N2 -","- C80 H96 Br8 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0622","0.0473","","","0.0897","0.0964","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022457","8.6708","0.0004","9.6684","0.0005","25.6854","0.0012","90","","90","","90","","2153.28","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Fluorotryptammonium chloride","2-(5-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0492","0.0411","","","0.0937","0.0992","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022459","8.3572","0.0004","10.3493","0.0005","24.3824","0.0013","90","","90","","90","","2108.86","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-Fluorotryptammonium chloride","2-(6-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0424","0.0368","","","0.0891","0.0928","","","","","","1.147","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022460","9.1893","0.0005","9.3259","0.0004","27.5149","0.0015","90","","90","","90","","2358","0.2","297","2","297.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-Methyltryptammonium chloride","2-(7-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C88 H120 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0538","0.039","","","0.0837","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022488","15.8897","0.0003","10.9845","0.0002","16.8393","0.0003","90","","90","","90","","2939.14","0.09","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzoylpyridine 4-ethylthiosemicarbazone","(<i>E</i>)-<i>N</i>-Ethyl-2-[phenyl(pyridin-4-yl)methylidene]hydrazine-1-carbothioamide","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C120 H128 N32 S8 -","8","1","YD3022","Lobana, Tarlok Singh; Kaushal, Mani; Bhatia, Robin; Bala, Ritu; Butcher, Ray J.; Jasinksi, Jerry P.","Crystal structures of 3/4-pyridyl-based thiosemicarbazones and related Cu and Ni coordination compounds","Acta Crystallographica Section C","2022","78","1","","","10.1107/S205322962101319X","","x-ray","0.71073","MoKα","","0.0557","0.0403","","","0.1012","0.1102","","","","","","1.037","","","","has coordinates,has Fobs","271558","2021-12-21","02:59:26",""
"2022544","16.208","0.008","14.849","0.008","18.052","0.009","90","","90","","90","","4345","4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","9,10,20,21-Tetrahydro-5,14-(ethanooxyethano)dibenzo[<i>e</i>,<i>q</i>][1,4,10,13,7,16]tetraoxadiazacyclooctadecine-6,13-dione","8,11,21,24,29-Pentaoxa-1,18-diazatetracyclo[16.8.5.0^2,7^.0^12,17^]hentriaconta-2,4,6,12(17),13,15-hexaene-19,26-dione","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C192 H224 N16 O56 -","8","1","JX3069","Smith, Gary L. N.; Taylor, Richard W.","Synthesis and structures of three benzoannelated macrobicyclic diamides","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001449","","","0.71073","MoKα","","0.0837","0.0583","","","0.142","0.1726","","","","","","1.033","","","","has coordinates,has Fobs","272960","2022-02-15","02:58:49",""
"2022603","8.77","0.002","11.658","0.003","23.843","0.006","90","","90","","90","","2437.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 1 (s21_30)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium chloride","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C88 H136 Cl8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0565","0.0419","","","0.1024","0.1124","","","","","","1.047","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:25",""
"2022604","8.859","0.004","12.038","0.005","23.805","0.01","90","","90","","90","","2538.7","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Compound 2 (s20_37)","4-(2-Hydroxy-4-oxopent-2-en-3-yl)-1,3,5-trimethyl-1<i>H</i>-pyrazol-2-ium bromide","","- C11 H17 Br N2 O2 -","- C11 H17 Br N2 O2 -","- C88 H136 Br8 N16 O16 -","8","1","OC3013","van Terwingen, Steven; Ebel, Ben; Wang, Ruimin; Englert, Ulli","Weaving a 2D net of hydrogen and halogen bonds: cocrystal of a pyrazolium bromide with tetrafluorodiiodobenzene","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004648","","","0.71073","MoKα","","0.0574","0.0367","","","0.0877","0.0993","","","","","","1.035","","","","has coordinates,has Fobs","275287","2022-05-10","01:38:26",""
"2022606","6.9163","0.0004","12.5609","0.0008","19.9264","0.0012","90","","90","","90","","1731.11","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,9,14,18-Tetramethyl-1,4,10,13-tetraazacyclooctadeca-5,8,14,17-tetraene-7,16-dione","","- C18 H28 N4 O2 -","- C18 H28 N4 O2 -","- C72 H112 N16 O8 -","4","0.5","DG3026","Ranaweera, Samantha A.; Bruno, Donnadieu; Henry, W. P.; White, Mark. G.","Step-stool conformation of a cyclic Schiff base derived from ethylenediamine and heptane-2,4,6-trione: evidence for partial hydrolysis in metal coordination","Acta Crystallographica Section C","2022","78","6","","","10.1107/S2053229622004582","","","0.71073","MoKα","","0.04","0.0347","","","0.0899","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","275474","2022-05-17","01:43:02",""
"2022633","9.5119","0.0003","9.6885","0.0004","21.8439","0.0008","90","","90","","90","","2013.05","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Chloro-<i>N</i>-(<i>p</i>-tolyl)propanamide","2-Chloro-<i>N</i>-(4-methylphenyl)propanamide","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C80 H96 Cl8 N8 O8 -","8","1","DS2252","Jones, Roderick C.; Twamley, Brendan","Structure of 2-chloro-N-(p-tolyl)propanamide","Acta Crystallographica, Section E: Crystallographic Communications","2018","74","11","1584","1588","10.1107/s2056989018013889","","x-ray","1.54178","CuKα","","0.039","0.0382","","","0.1026","0.1034","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","276693","2022-07-06","21:28:09",""
"2022634","9.5053","0.0006","9.6793","0.0005","21.838","0.0013","90","","90","","90","","2009.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C80 H96 Cl8 N8 O8 -","8","1","DS2252","Jones, Roderick C.; Twamley, Brendan","Structure of 2-chloro-N-(p-tolyl)propanamide","Acta Crystallographica, Section E: Crystallographic Communications","2018","74","11","1584","1588","10.1107/s2056989018013889","","x-ray","0.71073","MoKα","","0.0517","0.0371","","","0.0821","0.0889","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","276694","2022-07-06","21:28:21",""
"2022678","9.935","0.0003","17.5133","0.0007","21.4662","0.0008","90","","90","","90","","3735","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>N</i>-{3-Cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1<i>H</i>-pyrazol-5-yl}-2,2,2-trifluoroacetamide","","- C15 H8 Cl2 F6 N4 O S -","- C15 H8 Cl2 F6 N4 O S -","- C120 H64 Cl16 F48 N32 O8 S8 -","8","1","TX2059","Priyanka, Prabhakar; Jayanna, Bidarur K.; Sunil Kumar, Yelekere C.; Shreenivas, Mellekatte T.; Srinivasa, Gejjelegere R.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean","Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide","Acta Crystallographica Section E Crystallographic Communications","2022","78","11","","","10.1107/S2056989022009653","","","0.71073","MoKα","","0.0292","0.0257","","","0.0626","0.0644","","","","","","1.043","","","","has coordinates,has Fobs","278354","2022-10-05","01:57:24",""
"2022695","11.0392","0.0002","8.1756","0.0002","23.3673","0.0004","90","","90","","90","","2108.95","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 I2 N2 S -","- C8 H4 I2 N2 S -","- C64 H32 I16 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0293","0.0262","","","0.0691","0.0709","","","","","","1.088","","","","has coordinates","279171","2022-11-10","02:47:44",""
"2022696","11.1945","0.0005","7.1006","0.0003","25.4725","0.0009","90","","90","","90","","2024.75","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-bromophenyl)-1,3,4-selenadiazole","","- C8 H4 Br2 N2 Se -","- C8 H4 Br2 N2 Se -","- C64 H32 Br16 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0531","0.0442","","","0.104","0.1088","","","","","","1.048","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:47",""
"2022697","11.1735","0.0004","7.1222","0.0002","26.1875","0.0008","90","","90","","90","","2084","0.11","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-selenadiazole","","- C8 H4 Br I N2 Se -","- C8 H4 Br I N2 Se -","- C64 H32 Br8 I8 N16 Se8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","0.71073","MoKα","","0.0362","0.0296","","","0.0656","0.0697","","","","","","1.082","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022698","10.9919","0.0002","6.9945","0.0001","26.4076","0.0004","90","","90","","90","","2030.29","0.06","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-5-(4-iodophenyl)-1,3,4-thiadiazole","","- C8 H4 Br I N2 S -","- C8 H4 Br I N2 S -","- C64 H32 Br8 I8 N16 S8 -","8","1","BS3004","De Silva, Viraj; Magueres, Pierre Le; Averkiev, Boris B.; Aakeröy, Christer B.","Competition between chalcogen and halogen bonding assessed through isostructural species","Acta Crystallographica Section C","2022","78","12","","","10.1107/S205322962201052X","","x-ray","1.54184","CuKα","","0.0229","0.021","","","0.0509","0.0517","","","","","","1.07","","","","has coordinates,has Fobs","279171","2022-11-10","02:47:50",""
"2022713","16.2967","0.0009","6.0887","0.0002","28.4139","0.0015","90","","90","","90","","2819.4","0.2","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium 2,2,2-trifluoroacetate","","- C13 H17 F3 N2 O3 -","- C13 H17 F3 N2 O3 -","- C104 H136 F24 N16 O24 -","8","1","VM2279","Vinaya, ?; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses and crystal structures of four 4-(4-meth-oxy-phen-yl)piperazin-1-ium salts: tri-fluoro-acetate, 2,3,4,5,6-penta-fluoro-benzoate, 4-iodo-benzoate, and a polymorph with 4-methyl-benzoate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","380","385","10.1107/S2056989023002529","","","0.71073","MoKα","","0.0403","0.0336","","","0.0825","0.0871","","","","","","1.049","","","","has coordinates,has Fobs","283578","2023-05-06","10:45:08",""
"2022725","16.7576","0.0006","16.3223","0.0007","19.2416","0.0008","90","","90","","90","","5263","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(12<i>E</i>)-12-(4-Benzylidene)-7,7,16-trimethyl-3-(4-methylphenyl)-1-oxa-16-azatetracyclo[11.2.1.0^2,11^.0^4,9^]hexadeca-2(11),4(9)-dien-5-one","","- C32 H35 N O2 -","- C32 H35 N O2 -","- C256 H280 N8 O16 -","8","1","ZN2026","Meenatchi, C. Selva; Vishnupriya, R.; Suresh, J.; Rubina, S. Raja; Selvanayagam, S.; Bhandari, S. R.","Crystal structures of (12<i>E</i>)-12-(4-benzyl-idene)-7,7,16-trimethyl-3-(4-methyl-phen-yl)-1-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one and (12<i>E</i>)-12-(4-bromo-benzyl-idene)-73-(4-bromo-phen-yl)-,7,16-trimethyl-10-oxa-16-aza-tetra-cyclo-[11.2.1.0<sup>2,11</sup>.0<sup>4,9</sup>]hexa-deca-2(11),4(9)-dien-5-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","392","396","10.1107/S205698902300275X","","","0.71073","MoKα","","0.1017","0.0593","","","0.159","0.2134","","","","","","1.04","","","","has coordinates,has Fobs","283586","2023-05-06","10:46:36",""
"2022733","10.0531","0.0002","17.3479","0.0004","34.3141","0.0005","90","","90","","90","","5984.4","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(isoselenocyanato-κ<i>N</i>)tetrakis(4-methoxypyridine-κ<i>N</i>)cobalt(II)","","- C26 H28 Co N6 O4 Se2 -","- C26 H28 Co N6 O4 Se2 -","- C208 H224 Co8 N48 O32 Se16 -","8","1","PK2678","Näther, Christian; Jess, Inke","Synthesis, crystal structure and properties of bis(isoselenocyanato-κN)tetrakis(4-methoxypyridine-κN)cobalt(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","3","216","220","10.1107/S2056989023001391","","","0.71073","MoKα","","0.0452","0.0376","","","0.0834","0.0871","","","","","","1.073","","","","has coordinates,has Fobs","282431","2023-04-05","16:09:24",""
"2022760","13.7925","0.0003","7.2652","0.0001","19.7956","0.0004","90","","90","","90","","1983.62","0.06","193.15","","193.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C104 H80 N16 O8 -","8","1","VM2281","Hong, Dabeen; Lee, Kyounghoon","Polymorphic structures of 3-phenyl-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","534","537","10.1107/S2056989023003961","","","0.71073","MoKα","","0.0438","0.0391","","","0.0955","0.0989","","","","","","1.018","","","","has coordinates,has Fobs","285049","2023-07-06","18:17:44",""
"2022762","6.7886","0.0013","16.6007","0.0003","26.9563","0.0008","90","","90","","90","","3037.9","0.6","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-[(4-Fluorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C18 H16 F N3 O -","- C18 H16 F N3 O -","- C144 H128 F8 N24 O8 -","8","1","","Shankar, M. G.; Kumaravel, R.; Subashini, A.; Ramamurthi, K.; Kučeráková, Monika; Dušek, Michal; Stoeckli-Evans, Helen","Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-amino-anti-pyrine Schiff base compounds: (<i>E</i>)-4-{[4-(di-ethyl-amino)-benzyl-idene]amino}-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and (<i>E</i>)-4-[(4-fluoro-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","538","544","10.1107/S2056989023004085","","","0.71073","MoKα","","0.0613","0.0419","","","0.0915","0.1008","","","","","","1.048","","","","has coordinates,has Fobs","285052","2023-07-06","18:18:23",""
"2022801","13.9764","0.0007","17.8228","0.0009","23.059","0.0011","90","","90","","90","","5744","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>R</i>)-4-Bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1<i>H</i>-pyrrole","","- C26 H24 Br2 N4 O8 S2 -","- C26 H24 Br2 N4 O8 S2 -","- C208 H192 Br16 N32 O64 S16 -","8","1","VM2284","Sample, Harry C.; Twamley, Brendan; Senge, Mathias O.","Structure of (R,R)-4-bromo-2-{4-[4-bromo-1-(4-toluenesulfonyl)-1H-pyrrol-2-yl]-1,3-dinitrobutan-2-yl}-1-(4-toluenesulfonyl)-1H-pyrrole, another ostensible by-product in the synthesis of geminal-dimethyl hydrodipyrrins","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004644","","x-ray","1.54178","CuKα","","0.0305","0.0304","","","0.0795","0.0795","","","","","","1.081","","","","has coordinates,has Fobs","284701","2023-06-29","15:55:47",""
"2022807","11.7044","0.0017","7.8531","0.001","38.253","0.005","90","","90","","90","","3516.1","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(2-methylphenyl)methylidene]pyridine-4-carbohydrazide; benzoic acid","","- C20 H17 N3 O3 -","- C20 H17 N3 O3 -","- C160 H136 N24 O24 -","8","1","EX2072","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","Co-crystallization of N′-benzylidenepyridine-4-carbohydrazide and benzoic acid via autoxidation of benzaldehyde","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023005698","","x-ray","0.71073","MoKα","","0.0584","0.0537","","","0.1102","0.1123","","","","","","1.177","","","","has coordinates,has Fobs","284812","2023-07-05","02:14:41",""
"2022888","13.70079","0.00019","7.16238","0.0001","25.8688","0.0004","90","","90","","90","","2538.51","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone form IV","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C112 H144 N16 O32 -","16","2","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0519","0.0415","","","0.1098","0.1167","","","","","","1.055","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:31",""
"2022891","9.4231","0.0001","10.3938","0.0001","24.7171","0.0003","90","","90","","90","","2420.84","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone-Catechol (1:1)","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0623","0.0442","","","0.0984","0.1069","","","","","","1.035","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:39",""
"2022896","6.9983","0.0002","18.4416","0.0006","28.896","0.0008","90","","90","","90","","3729.31","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(Deferiprone) phloroglucinol (2:1)","","","- C20 H24 N2 O7 -","- C20 H24 N2 O7 -","- C160 H192 N16 O56 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.1045","0.0565","","","0.0998","0.115","","","","","","1.041","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022909","13.3292","0.0006","11.1365","0.0005","28.5973","0.0012","90","","90","","90","","4245","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Anthracen-9-yl)-1-(<i>tert</i>-butyldimethylsilyl)-3,6-dihydro-1λ^4^,2λ^4^-azaborinine","","- C24 H30 B N Si -","- C24 H30 B N Si -","- C192 H240 B8 N8 Si8 -","8","1","VM2290","Gliese, Philipp J.; Appiarius, Yannik; Scheele, Tarek; Lork, Enno; Neudecker, Tim; Staubitz, Anne","Synthesis and crystal structure of 2-(anthracen-9-yl)-1-(<i>tert</i>-butyl-dimethyl-sil-yl)-3,6-di-hydro-1λ<sup>4</sup>,2λ<sup>4</sup>-aza-borinine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1012","1016","10.1107/S2056989023008381","","x-ray","0.71073","MoKα","","0.0541","0.0421","","","0.098","0.1033","","","","","","1.068","","","","has coordinates,has Fobs","288144","2023-12-07","11:50:58",""
"2022910","14.804","0.0011","12.4631","0.0006","19.4486","0.0008","90","","90","","90","","3588.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bromido(pyrrolidine-κ<i>N</i>)gold(I) bis(pyrrolidine-κ<i>N</i>)gold(I) bromide","","- C12 H27 Au2 Br2 N3 -","- C12 H27 Au2 Br2 N3 -","- C96 H216 Au16 Br16 N24 -","8","1","YZ2040","Döring, Cindy; Jones, Peter G.","Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 11","1017","1027","10.1107/S205698902300854X","","","0.71073","MoKα","","0.082","0.0512","","","0.1161","0.1298","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","288153","2023-12-07","11:52:48",""
"2022960","28.4313","0.0007","7.6516","0.0002","29.5461","0.0009","90","","90","","90","","6427.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis{<i>N</i>-[(4-methoxyphenyl)imino]pyrrolidine-1-carboxamide}zinc(II) (acetonitrile)trichloridozincate","","- C26 H33 Cl4 N7 O4 Zn2 -","- C26 H33 Cl4 N7 O4 Zn2 -","- C208 H264 Cl32 N56 O32 Zn16 -","8","1","YY2008","Tiwari, Laxmi; Waynant, Kristopher V.","The synthesis and structural properties of a chlorido-bis-{<i>N</i>-[(4-meth-oxy-phen-yl)imino]-pyrrolidine-1-carboxamide}-zinc(II) (aceto-nitrile)-trichlorido-zincate coordination complex.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","14","17","10.1107/S2056989023010447","","x-ray","0.71073","MoKα","","0.0673","0.0457","","","0.0953","0.1039","","","","","","1.151","","","","has coordinates,has Fobs","289695","2024-02-05","12:09:04",""
"2022986","8.8689","0.0004","8.4361","0.0003","21.7319","0.0009","90","","90","","90","","1625.96","0.12","250","0.5","250","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","1","HB8089","Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R.","Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","58","61","10.1107/S2056989023010812","","","0.71073","MoKα","","0.0607","0.0411","","","0.0927","0.1015","","","","","","1.08","","","","has coordinates,has Fobs","289688","2024-02-05","12:06:33",""
"2022988","10.4638","0.0003","13.4495","0.0004","13.734","0.0004","90","","90","","90","","1932.83","0.1","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Morpholinoformamidinium hexafluorophosphate","","- C5 H11 F6 N2 O P -","- C5 H11 F6 N2 O P -","- C40 H88 F48 N16 O8 P8 -","8","1","WM5706","Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh","Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 1","88","93","10.1107/S2056989023010848","","","1.54178","CuKα","","0.0265","0.0251","","","0.0702","0.0705","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","289689","2024-02-05","12:06:50",""
"2023026","12.255","0.003","15.694","0.003","21.903","0.004","90","","90","","90","","4212.6","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H27 F2 N O4 -","- C23 H27 F2 N O4 -","- C184 H216 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0697","0.0504","","","0.1192","0.1284","","","","","","1.025","","","","has coordinates,has Fobs","291117","2024-04-05","23:42:40",""
"2023027","12.4094","0.0008","15.9871","0.0012","21.9629","0.0015","90","","90","","90","","4357.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C24 H29 F2 N O4 -","- C24 H29 F2 N O4 -","- C192 H232 F16 N8 O32 -","8","1","JY2044","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Pehlivanlar, Ezgi; Çetin, Gökalp; Şimşek, Rahime; Butcher, Ray J.; Bhattarai, Ajaya","Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(di-fluorometh-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate and <i>tert</i>-butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","281","288","10.1107/S2056989024001233","","","0.71073","MoKα","","0.0874","0.0588","","","0.1474","0.1632","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","291117","2024-04-05","23:42:40",""
"2023045","16.8662","0.0015","12.8555","0.0011","18.7561","0.0016","90","","90","","90","","4066.8","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","13203z","1-{4-[Bis(4-methylphenyl)amino]phenyl}ethene-1,2,2-tricarbonitrile","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","NX2005","Bader, Mamoun M.; Pham, Phuong-Truc","Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","339","342","10.1107/S2056989024001804","","","0.71073","MoKα","","0.0902","0.0482","","","0.1032","0.1245","","","","","","1.019","","","","has coordinates","291122","2024-04-05","23:43:24",""
"2023076","12.407","0.0009","17.425","0.0014","17.5276","0.0012","90","","90","","90","","3789.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-2-{<i>N</i>-[2-(piperidine-1-sulfonyl)phenyl]carboximidoyl}phenol","","- C18 H19 Br N2 O3 S -","- C18 H19 Br N2 O3 S -","- C144 H152 Br8 N16 O24 S8 -","8","1","EF3052","Kolade, Sherif O.; Aina, Oluwafemi S.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","Synthesis, crystal structure and in-silico evaluation of arylsulfonamide Schiff bases for potential activity against colon cancer.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 4","129","142","10.1107/S205322962400233X","","","0.71073","MoKα","","0.097","0.0624","","","0.1513","0.1724","","","","","","1.087","","","","has coordinates","291714","2024-05-06","04:18:56",""
"2023085","12.5716","0.0006","8.394","0.0003","20.3319","0.0007","90","","90","","90","","2145.54","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trichlorido(4-methylpiperidine)gold(III)","","- C6 H13 Au Cl3 N -","- C6 H13 Au Cl3 N -","- C48 H104 Au8 Cl24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.0426","0.0242","","","0.0383","0.0419","","","","","","1.046","","","","has coordinates","291289","2024-04-19","04:39:37",""
"2023087","12.6471","0.0005","8.7247","0.0003","21.0262","0.0007","90","","90","","90","","2320.08","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tribromido(4-methylpiperidine)gold(III)","","- C6 H13 Au Br3 N -","- C6 H13 Au Br3 N -","- C48 H104 Au8 Br24 N8 -","8","1","PK2705","Döring, Cindy; Jones, Peter G.","Crystal structures of trichlorido(4-methylpiperidine)gold(III) and two polymorphs of tribromido(4-methylpiperidine)gold(III)","Acta Crystallographica Section E Crystallographic Communications","2024","80","5","","","10.1107/S2056989024002822","","","0.71073","MoKα","","0.052","0.0294","","","0.0388","0.0429","","","","","","1.035","","","","has coordinates","291289","2024-04-19","04:39:38",""
"2023198","10.9966","0.0006","13.7147","0.001","17.9345","0.0009","90","","90","","90","","2704.8","0.3","200","0.1","200","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1<i>H</i>-1,2,4-triazol-3-yl]acetato-κ^2^<i>O</i>:<i>O</i>']","","- C11 H11 N3 O6 U -","- C11 H11 N3 O6 U -","- C88 H88 N24 O48 U8 -","8","1","EJ2005","Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Stoica, Alexandru-Constantin; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.","Crystal structure of catena-poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1H-1,2,4-triazol-3-yl]acetato-κ2 O:O′]","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006637","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0522","0.0561","","","","","","1.047","","","","has coordinates","293407","2024-07-13","02:00:11",""
"2023240","9.229","0.003","19.235","0.006","30.058","0.01","90","","90","","90","","5336","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2-Chloroacetyl)-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","","- C33 H29 Cl N2 O2 -","- C33 H29 Cl N2 O2 -","- C264 H232 Cl8 N16 O16 -","8","1","WM5730","Divyabharathi, Sivagnanam; Karthiga, Anjalai Ramachandran; Shalo, Rajans Reshwen; Rajeswari, Krishnan; Vidhyasagar, Thankakan; Selvanayagam, Sivashanmugam","Crystal structure, Hirshfeld surface analysis, DFT and the molecular docking studies of 3-(2-chloroacetyl)-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E Crystallographic Communications","2024","80","9","981","985","10.1107/S2056989024008302","","","0.71073","MoKα","","0.155","0.07","","","0.1196","0.1509","","","","","","1.067","","","","has coordinates","294309","2024-08-31","02:04:12",""
"2023291","9.4484","0.0008","7.0977","0.0007","15.3781","0.0014","90","","90","","90","","1031.28","0.16","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Hydroxy-<i>N</i>'-methylacetohydrazide","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C24 H64 N16 O16 -","8","1","YZ2059","Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Dyakonenko, Viktoriya V.; Lampeka, Rostyslav D.","Synthesis, structures and Hirshfeld surface analyses of 2-hydroxy-N′-methylacetohydrazide and 2-hydroxy-N-methylacetohydrazide","Acta Crystallographica Section E Crystallographic Communications","2024","80","11","1170","1174","10.1107/S2056989024009526","","","0.71073","MoKα","","0.1091","0.1028","","","0.1957","0.1985","","","","","","1.339","","","","has coordinates","296781","2024-12-07","17:11:31",""
"2023346","11.413","0.0001","17.1627","0.0001","31.7109","0.0002","90","","90","","90","","6211.46","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate","","- C36 H28 F6 Ir N4 P -","- C36 H28 F6 Ir N4 P -","- C288 H224 F48 Ir8 N32 P8 -","8","1","ZV2036","Gienau, Trevor J.; Clay, Malachi; Brennessel, William W.; Reed, Carly R.","(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","Acta Crystallographica Section E Crystallographic Communications","2025","81","2","","","10.1107/S2056989024012039","","x-ray","1.54184","CuKα","","0.0245","0.0241","","","0.0595","0.0598","","","","","","1.164","","","","has coordinates","297318","2025-01-15","02:28:45",""
"2023447","15.86326","0.00008","8.79608","0.00003","19.2468","0.00008","90","","90","","90","","2685.59","0.02","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (<i>E</i>)-2-(4-chlorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetate","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","WM5749","Shikhaliyev, Namiq Q.; Babazade, Aliyar A.; Atakishiyeva, Gulnar T.; Shikhaliyeva, Irada M.; Maharramov, Abel M.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structures and Hirshfeld surface analyses of methyl (2Z)-(4-bromophenyl)[2-(4-methylphenyl)hydrazinylidene]acetate, methyl (2Z)-(4-bromophenyl)[2-(3,5-dimethylphenyl)hydrazinylidene]acetate, methyl (2Z)-[2-(4-methoxyphenyl)hydrazinylidene](3-nitrophenyl)acetate, methyl (2E)-(4-chlorophenyl)(2-phenylhydrazinylidene)acetate and methyl (2Z)-[2-(4-bromophenyl)hydrazinylidene](4-chlorophenyl)acetate","Acta Crystallographica Section E Crystallographic Communications","2025","81","4","","","10.1107/S2056989025002051","","","1.54184","CuKα","","0.0308","0.0303","","","0.0814","0.0818","","","","","","1.082","","","","has coordinates","298462","2025-03-15","03:05:45",""
"2100009","11.6899","0.0006","14.9843","0.0008","19.2115","0.0009","90","","90","","90","","3365.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenyl-pyrimidyne)dichlorocopper(II) emerald green form","","- C16 H16 Cl2 Cu N4 -","- C16 H16 Cl2 Cu N4 -","- C128 H128 Cl16 Cu8 N32 -","8","1","AV5023","Peresypkina, Eugenia V.; Bushuev, Mark B.; Virovets, Alexander V.; Krivopalov, Victor P.; Lavrenova, Ludmila G.; Larionov, Stanislav V.","Three differently coloured concomitant polymorphs: synthesis, structure and packing analysis of (4-(3',5'-dimethyl-1<i>H</i>-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine)dichlorocopper(II)","Acta Crystallographica Section B","2005","61","2","164","173","10.1107/S010876810403294X","","","0.71073","MoKα","","0.0614","0.0323","","","0.0834","0.0984","","","","","","0.862","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100012","12.9628","0.0019","12.0803","0.0018","13.61","0.002","90","","90","","90","","2131.3","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cr N -","- C14 H13 Cr N -","- C112 H104 Cr8 N8 -","8","1","AV5032","Khrustalev, Victor N.; Vasil'kov, Alexander Yu.; Antipin, Mikhail Yu.","Substituent effects in bis(arene)chromium compounds containing a CN group in the aromatic ring","Acta Crystallographica Section B","2005","61","3","304","311","10.1107/S0108768105008797","","","0.71073","MoKα","","0.0922","0.0589","","","0.1324","0.1431","","","","","","1.054","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100339","5.0741","0.001","9.7594","0.001","13.305","0.002","90","","90","","90","","658.87","0.18","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cyclopropylamine","","","- C3 H7 N -","- C3 H7 N -","- C24 H56 N8 -","8","1","WS5029","Lozano-Casal, Patricia; Allan, David R.; Parsons, Simon","Pressure-induced polymorphism in cyclopropylamine","Acta Crystallographica Section B","2005","61","6","717","723","10.1107/S0108768105026327","","","0.71073","MoKα","","0.0479","0.0417","","","0.0896","0.0956","","","","","","1.176","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100348","7.287","0.006","9.2","0.02","6.688","0.009","90","","90","","90","","448.4","1.2","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.2023","0.053","","","0.1097","0.1355","","","","","","1.03","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100349","7.221","0.004","9.05","0.02","6.59","0.005","90","","90","","90","","430.7","1","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.1754","0.1418","","","0.2351","0.2476","","","","","","1.013","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100350","7.243","0.003","9.31","0.017","6.756","0.003","90","","90","","90","","455.6","0.9","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","AV5045","Budzianowski, Armand; Katrusiak, Andrzej","Pressure-frozen benzene I revisited","Acta Crystallographica Section B","2006","62","1","94","101","10.1107/S010876810503747X","","","0.71073","MoKα","","0.1316","0.1316","","","0.2949","0.2949","","","","","","1.295","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100537","10.6597","0.0002","25.9833","0.0003","9.2044","0.0006","90","","90","","90","","2549.38","0.18","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(4-Iodophenyl)-2-chloronicotinamide","","- C12 H8 Cl I N2 O -","- C12 H8 Cl I N2 O -","- C96 H64 Cl8 I8 N16 O8 -","8","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0354","0.0227","","","0.0519","0.0561","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100554","10.568","0.007","11.257","0.007","28.79","0.02","90","","90","","90","","3425","4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H10 N2 O Se -","- C7 H10 N2 O Se -","- C112 H160 N32 O16 Se16 -","16","2","SO5003","C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson","Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives","Acta Crystallographica Section B","2006","62","4","580","591","10.1107/S0108768106011426","","","0.6775","synchrotron","","0.21","0.173","","","0.387","0.408","","","","","","1.18","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100680","14.238","0.0003","14.3109","0.0003","16.8047","0.0003","90","","90","","90","","3424.1","0.12","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C176 H152 N8 O16 -","8","1","BK5040","V. Bertolasi; L. Pretto; V. Ferretti; P. Gilli; G. Gilli","Interplay between steric and electronic factors in determining the strength of intramolecular N—H···O resonance-assisted hydrogen bonds in β-enaminones","Acta Crystallographica Section B","2006","62","6","1112","1120","10.1107/S0108768106036421","","","0.7107","MoKα","","0.0721","0.0562","","","0.1123","0.1318","","","","","","1.351","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100780","9.114","0.002","23.933","0.004","11.034","0.004","90","","90","","90","","2406.8","1.1","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","1","LI0111","Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Schagen, J. D.","Structures of three biologically active conjugates of ω-amino acids and plant growth hormone (auxin)","Acta Crystallographica Section B","1992","48","3","297","302","10.1107/S0108768191014155","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100849","22.312","0.011","11.51","0.01","18.744","0.009","90","","90","","90","","4814","5","","","","","","","","","","","","4","P b c a","","","","","","- C31 H23 N2 P -","- C31 H23 N2 P -","- C248 H184 N16 P8 -","8","1","LI0116","Bethell, D.; Brown, M. P.; Harding, M. M.; Herbert, C. A.; Khodaei, M. M.; Rios, M. I.; Woolstencroft, K.","Structures of three diaryl-substituted triphenylphosphazines","Acta Crystallographica Section B","1992","48","5","683","687","10.1107/S0108768192001393","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100864","10.804","0.003","13.007","0.004","10.381","0.002","90","","90","","90","","1458.8","0.7","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H2 F2 N2 O4 -","- C6 H2 F2 N2 O4 -","- C48 H16 F16 N16 O32 -","8","1","AS0604","Kubota, M.; Ohba, S.","Electron-density distribution in fluorobenzene derivatives","Acta Crystallographica Section B","1992","48","6","849","854","10.1107/S0108768192006062","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100867","14.608","0.005","15.757","0.006","5.303","0.002","90","","90","","90","","1220.6","0.8","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H5 Cl F N -","- C6 H5 Cl F N -","- C48 H40 Cl8 F8 N8 -","8","1","AS0604","Kubota, M.; Ohba, S.","Electron-density distribution in fluorobenzene derivatives","Acta Crystallographica Section B","1992","48","6","849","854","10.1107/S0108768192006062","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100880","33.642","0.004","15.951","0.001","6.785","0.001","90","","90","","90","","3641","0.7","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C14 H22 N2 O6 S2 -","- C15 H22 N2 O8 S2 -","- C120 H176 N16 O64 S16 -","8","1","CD0063","Krause, J. A.; Baures, P. W.; Eggleston, D. S.","Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu","Acta Crystallographica Section B","1993","49","1","123","130","10.1107/S0108768192006207","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101004","13.9347","0.0007","9.6794","0.0006","25.962","0.001","90","","90","","90","","3501.7","0.3","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 Cl N3 O2 -","- C21 H14 Cl N3 O2 -","- C168 H112 Cl8 N24 O16 -","8","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","296843","2024-12-11","14:15:26",""
"2101005","10.2078","0.0004","10.237","0.001","35.676","0.003","90","","90","","90","","3728","0.5","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","1","HH0630","Duke, N. E. C.; Codding, P. W.","Structural and molecular modeling studies of quinazolinone anticonvulsants","Acta Crystallographica Section B","1993","49","4","719","726","10.1107/S0108768193000576","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","296843","2024-12-11","14:15:26",""
"2101032","17.012","0.002","21.042","0.002","7.6465","0.0006","90","","90","","90","","2737.2","0.5","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","CR0438","Desiraju, G. R.; Kashino, S.; Coombs, M. M.; Glusker, J. P.","C‒H···O packing motifs in some cyclopenta[<i>a</i>]phenanthrenes","Acta Crystallographica Section B","1993","49","5","880","892","10.1107/S0108768193001703","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101092","7.36","0.002","7.469","0.003","33.061","0.007","90","","90","","90","","1817.4","1","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101144","9.4685","0.0009","16.497","0.002","9.7677","0.0008","90","","90","","90","","1525.7","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H7 F O3 -","- C8 H7 F O3 -","- C64 H56 F8 O24 -","8","1","AB0316","Larsen, S.; Marthi, K.","Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts","Acta Crystallographica Section B","1994","50","3","373","381","10.1107/S0108768193010766","","","1.54184","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101193","17.716","0.002","15.298","0.002","13.21","0.003","90","","90","","90","","3580.2","1","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- C20 H22 O4 -","- C20 H28 O4 -","- C160 H224 O32 -","8","1","BR0027","Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M.","Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate","Acta Crystallographica Section B","1994","50","5","597","600","10.1107/S0108768194002594","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101198","13.6714","0.0001","13.824","0.0001","13.8939","0.0001","90","","90","","90","","2625.86","0.03","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- Cd Cs2 O12 Si5 -","- Cd Cs2 O12 Si5 -","- Cd8 Cs16 O96 Si40 -","8","1","LI0172","Bell, A. M. T.; Redfern, S. A. T.; Henderson, C. M. B.; Kohn, S. C.","Structural relations and tetrahedral ordering pattern of synthetic orthorhombic Cs~2~CdSi~5~O~12~ leucite: a combined synchrotron X-ray powder diffraction and multinuclear MAS NMR study","Acta Crystallographica Section B","1994","50","5","560","566","10.1107/S0108768194003393","","","0.1","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101217","11.074","0.005","9.152","0.003","14.66","0.004","90","","90","","90","","1485.8","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C6 H6 N2 O2 S -","- C6 H6 N2 O2 S -","- C48 H48 N16 O16 S8 -","8","1","AN0501","Chertanova, L.; Pascard, C.; Sheremetev, A.","X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group","Acta Crystallographica Section B","1994","50","6","708","716","10.1107/S0108768194004179","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101278","14.605","0.002","20.738","0.003","15.42","0.002","90","","90","","90","","4670.4","1.1","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","","","","- H12 O18 Si12 -","- H12 O18 Si12 -","- H96 O144 Si96 -","8","1","CR0477","Törnroos, K. W.; Bürgi, H.-B.; Calzaferri, G.; Bürgy, H.","The crystal and molecular structure of dodecahydridosilasesquioxane, H~12~Si~12~O~18~","Acta Crystallographica Section B","1995","51","2","155","161","10.1107/S0108768194013558","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101280","11.527","0.006","16.228","0.008","20.45","0.008","90","0.04","90","0.04","90","0.04","3825","3","103","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H21 F11 Sb2 -","- C13 H21 F11 Sb2 -","- C104 H168 F88 Sb16 -","8","1","HU0423","Laube, T.; Schaller, E.","Redetermination of the crystal structure of 3,5,7-trimethyl-1-adamantyl undecafluorodiantimonate(V)","Acta Crystallographica Section B","1995","51","2","177","181","10.1107/S0108768194012644","","","0.71069","MoKa","","0.0574","0.0452","","0.1289","0.1174","","","","0.995","1.034","1.034","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101385","8.669","0.002","20.847","0.004","21.746","0.004","90","","90","","90","","3930","1.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","GL2E4-6","GL2E4-1-3","","- C20 H28 O8 -","- C20 H28 O8 -","- C160 H224 O64 -","8","1","AS0679","Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I.","Structural properties of synthetic ionophore <i>GL</i>~2~<i>E</i>~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability","Acta Crystallographica Section B","1995","51","6","1045","1050","10.1107/S0108768195004678","","","1.5418","CuKα","","0.0893","0.0582","","0.1745","0.1369","","","","1.058","1.034","1.034","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101412","9.132","0.003","12.931","0.003","15.514","0.005","90","","90","","90","","1832","0.9","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101414","9.469","0.002","8.53","0.003","27.149","0.003","90","","90","","90","","2192.8","0.9","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","NA0069","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups","Acta Crystallographica Section B","1995","51","6","1004","1015","10.1107/S0108768195004009","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101462","59.684","0.008","14.909","0.002","12.956","0.002","90","","90","","90","","11529","3","296","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H33 Co N5 O4 P -","- C29 H33 Co N5 O4 P -","- C464 H528 Co16 N80 O64 P16 -","16","2","AS0694","Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.","Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates","Acta Crystallographica Section B","1996","52","2","303","313","10.1107/S0108768195011736","","","1.54184","CuKα","","","0.0597","","","0.1276","","","","","1.138","1.138","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101479","9.469","0.005","14.752","0.007","10.859","0.005","90","","90","","90","","1516.9","1.3","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C7 H3 Cl N2 O2 -","- C7 H3 Cl N2 O2 -","- C56 H24 Cl8 N16 O16 -","8","1","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101480","9.969","0.002","14.728","0.004","10.179","0.003","90","","90","","90","","1494.5","0.7","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C64 H48 N16 O16 -","8","1","CR0483","Britton, D.; Cramer, C. J.","Structures of four <i>o</i>-nitrobenzonitriles","Acta Crystallographica Section B","1996","52","2","344","351","10.1107/S0108768195010500","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101495","34.845","0.009","10.013","0.004","10.918","0.004","90","","90","","90","","3809","2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C168 H184 N24 O16 -","8","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.061","","","0.038","","","","","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101506","61.08","0.01","12.115","0.007","7.674","0.005","90","","90","","90","","5679","5","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C240 H192 Cl24 N24 O48 -","24","3","SE0178","Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D.","Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin)","Acta Crystallographica Section B","1996","52","2","332","343","10.1107/S010876819500838X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101620","8.154","0.0002","8.1482","0.0002","7.7945","0.0001","90","","90","","90","","517.87","0.019","293","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","beta-trans-diammine dichloro palladiun(II)","","- Cl2 H6 N2 Pd -","- Cl2 H6 N2 Pd -","- Cl8 H24 N8 Pd4 -","4","0.5","AB0347","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L.","Structures and isomerization in diamminedichloropalladium(II)","Acta Crystallographica Section B","1996","52","6","909","916","10.1107/S0108768196005988","","","1.5418","CuKα","","","0.111","","","0.109","","","","","1.81","1.81","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2101631","31.863","0.002","11.088","0.002","9.4","0.003","90","","90","","90","","3321","1.2","294","","294.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","FG0004","Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.","Structures and photochemistry of dibenzobarrelene monoamides","Acta Crystallographica Section B","1996","52","6","1007","1013","10.1107/S0108768196009056","","","1.5418","CuKα","","0.1386","0.0398","","0.0392","0.0331","","","","1.529","1.946","1.946","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101702","10.487","0.007","14.351","0.004","5.243","0.006","90","","90","","90","","789.1","1.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sodium magnesiosilicate","","- Al0.15 Mg0.79 Na1.74 O4 Si1.06 -","- Mg0.865 Na1.74 O4 Si1.135 -","- Mg6.92 Na13.92 O32 Si9.08 -","8","1","AB0354","Withers, Ray L.; Lobo, Charlene; Thompson, John G.; Schmid, Siegbert","A Modulation Wave Approach to the Structural Characterization of Three New Cristobalite-Related Sodium Magnesiosilicates","Acta Crystallographica Section B","1997","53","2","203","220","10.1107/S0108768196012335","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101892","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.1578","0.0653","","0.2385","0.1908","","","","1.015","1.234","1.234","","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2101893","13.819","0.003","11.805","0.003","7.501","0.0012","90","","90","","90","","1223.6","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.145","0.0516","","0.1614","0.1252","","","","0.997","1.2","1.2","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101894","13.824","0.002","11.731","0.002","7.366","0.002","90","","90","","90","","1194.5","0.4","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","0.5","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","1.54184","Cu_Kα","","0.0727","0.0645","","0.1572","0.1509","","","","1.22","1.28","1.28","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101960","6.216","0.001","38.627","0.001","8.031","0.001","90","","90","","90","","1928.3","0.4","297","","297","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Methyl-indole-3-acetic acid","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","1","HA0181","Nigović, Biljana; Antolić, Snježana; Kojić-Prodić, Biserka; Kiralj, Rudolf; Magnus, Volker; Salopek, Branka","Correlation of structural and physico-chemical parameters with the bioactivity of alkylated derivatives of indole-3-acetic acid, a phytohormone (auxin)","Acta Crystallographica Section B","2000","56","1","94","111","10.1107/S0108768199006199","","","0.71073","MoKα","","","0.049","","","0.041","","","","","0.99","0.99","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101984","21.595","0.003","14.518","0.002","7.953","0.0007","90","","90","","90","","2493.4","0.5","293","1","294","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C120 H104 N8 O16 S8 -","8","1","NA0092","Low, John N.; Storey, Emily J.; McCarron, Mary; Wardell, James L.; Ferguson, George; Glidewell, Christopher","Conformational preferences in 2-nitrophenylthiolates: interplay between intra- and intermolecular forces; structures of (<i>E</i>)-1-(4-methyl-2-nitrobenzenethiolato)-2-phenylethene, <i>S</i>-(2-nitrophenyl)benzenecarbothiolate and 1-(2-nitrophenylthio)-2,5-pyrrolidinedione","Acta Crystallographica Section B","2000","56","1","58","67","10.1107/S0108768199009702","","","0.71073","MoKα","","0.1586","0.0655","","","","0.1441","","","","","","0.91","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102045","20.582","0.004","8.146","0.0016","23.491","0.005","90","","90","","90","","3938.5","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","trans-dichlorobistriphenylarsineplatinum(II)","","","- C38 H34 As2 Cl6 Pt -","- C38 H34 As2 Cl6 Pt -","- C152 H136 As8 Cl24 Pt4 -","4","0.5","NS0002","Johansson, Maria H.; Otto, Stefanus; Roodt, Andreas; Oskarsson, Åke","Packing effects on the geometry of neutral platinum(II) complexes due to solvate molecules: the structure of <i>trans</i>-dichlorobis(triphenylarsine)platinum(II)","Acta Crystallographica Section B","2000","56","2","226","233","10.1107/S0108768199014500","","","0.71073","MoKα","","0.0569","0.0316","","","","0.067","","","","","","1.201","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102057","13.3202","0.0007","12.7223","0.0006","7.05854","0.00003","90","","90","","90","","1196.17","0.08","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-diammine dibromide palladium(II)","","- Br2 H6 N2 Pd -","- Br2 H6 N2 Pd -","- Br16 H48 N16 Pd8 -","8","1","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.6","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102059","8.4315","0.0003","8.4206","0.0003","8.0916","0.0002","90","","90","","90","","574.49","0.04","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","beta-trans-diammine dibromide palladium(II)","","- Br2 H6 N2 Pd -","- Br2 H6 N2 Pd -","- Br8 H24 N8 Pd4 -","4","0.5","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.89","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102060","13.906","0.0008","13.5035","0.0008","7.505","0.0004","90","","90","","90","","1409.29","0.09","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-diammine diiodide palladium(II)","","- H6 I2 N2 Pd -","- H6 I2 N2 Pd -","- H48 I16 N16 Pd8 -","8","1","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.81","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102061","8.8347","0.0005","8.841","0.0005","8.6081","0.0002","90","","90","","90","","672.36","0.05","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","beta-trans-diammine diiodide palladium(II)","","- H6 I2 N2 Pd -","- H6 I2 N2 Pd -","- H24 I8 N8 Pd4 -","4","0.5","AV0024","Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.","Structures of [Pd(NH~3~)~2~<i>X</i>~2~] and its chemical transformation in the solid state","Acta Crystallographica, Section B: Structural Science","2000","56","3","419","425","10.1107/S0108768100000252","","","1.5418","CuKα","","","","","","","","","","1.82","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2102108","20.243","0.003","9.087","0.002","8.137","0.002","90","","90","","90","","1496.8","0.5","298","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N O S -","- C7 H7 N O S -","- C56 H56 N8 O8 S8 -","8","1","OA0024","Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru","Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides","Acta Crystallographica Section B","2000","56","4","682","689","10.1107/S0108768100002329","","","0.71073","MoKα","","","0.049","","","","0.142","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2102173","26.766","0.005","9.3754","0.0018","8.1729","0.0013","90","","90","","90","","2050.9","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","BM0031","Chisholm, Greig; Kennedy, Alan R.; Wilson, Sharon; Teat, Simon J.","Comparison of the structural motifs of acetoacetanilides and related azo pigments","Acta Crystallographica Section B","2000","56","6","1046","1053","10.1107/S0108768100010946","","","0.71069","MoKα","","0.0929","0.0349","","","0.0872","0.1026","","","","","","0.986","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102641","11.356","0.002","20.637","0.004","9.85","0.002","90","","90","","90","","2308.4","0.8","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.0972","0.0634","","","0.1419","0.1616","","","","","","1.081","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102642","11.482","0.001","21.13","0.002","9.992","0.001","90","","90","","90","","2424.2","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-di-tert-butylpyrazole","","","- C11 H20 N2 -","- C11 H20 N2 -","- C88 H160 N16 -","8","1","TA5008","Sobolev, Alexandre N.; White, Allan H.","Temperature dependence of the crystal structure of 3,5-di-<i>tert</i>-butylpyrazole from 10K","Acta Crystallographica Section B","2004","60","5","621","625","10.1107/S0108768104017380","","","0.71073","MoKα","","0.154","0.0897","","","0.2633","0.3347","","","","","","0.985","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102660","8.248","0.001","19.679","0.003","10.581","0.001","90","","90","","90","","1717.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-2-hydroxy-cycloheptanecarboxamide","","- C8 H15 N O2 -","- C8 H15 N O2 -","- C64 H120 N8 O16 -","8","1","DE5011","Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna","Different forms of antiparallel stacking of hydrogen-bonded antidromic rings in the solid state: polymorphism with virtually the same unit cell and two-dimensional isostructurality with alternating layers","Acta Crystallographica Section B","2004","60","6","755","762","10.1107/S0108768104024553","","","0.71073","MOkα","","0.0894","0.0453","","","0.1298","0.1451","","","","","","0.846","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102670","16.075","0.003","15.88","0.003","5.6008","0.0009","90","","90","","90","","1429.7","0.4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Lithium bis(oxalato)borate hydrate","Lithium bis(oxalato)borate hydrate","","- C4 H2 B Li O9 -","- C4 H2 B Li O9 -","- C32 H16 B8 Li8 O72 -","8","1","TA5011","Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley","Structural chemistry of new lithium bis(oxalato)borate solvates","Acta Crystallographica Section B","2004","60","6","716","724","10.1107/S0108768104022153","","","0.71073","MoKα","","0.0928","0.0597","","","0.0797","0.0889","","","","","","1","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102692","12.317","0.003","15.602","0.006","18.302","0.007","90","","90","","90","","3517","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H24 I10 Ni S6 -","- C12 H24 I10 Ni S6 -","- C48 H96 I40 Ni4 S24 -","4","0.5","GP5013","Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Extended structures of polyiodide salts of transition metal macrocyclic complexes","Acta Crystallographica Section B","2007","63","1","81","92","10.1107/S0108768106041668","","","0.71073","MoKα","","0.0461","0.0382","","","0.0946","0.1","","","","","","1.31","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102766","11.9836","0.0007","7.382","0.0012","21.67","0.002","90","","90","","90","","1917","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Cl F -","- C12 H8 Cl F -","- C96 H64 Cl8 F8 -","8","1","BK5043","Luthe, G.; Swenson, D. C.; Robertson, L. W.","Influence of fluoro-substitution on the planarity of 4-chlorobiphenyl (PCB 3)","Acta Crystallographica Section B","2007","63","2","319","327","10.1107/S0108768106054255","","","0.71073","MoKα","","0.062","0.0486","","","0.1364","0.1441","","","","","","1.057","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102852","8.545","0.002","7.588","0.001","19.717","0.004","90","","90","","90","","1278.4","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0621","0.0466","","","0.095","0.1005","","","","","","1.137","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102856","8.617","0.001","7.693","0.001","19.695","0.003","90","","90","","90","","1305.6","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cis-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0711","0.0404","","","0.0789","0.0875","","","","","","1.053","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102857","8.415","0.001","7.799","0.001","19.295","0.002","90","","90","","90","","1266.3","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac-trans-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0384","0.0341","","","0.083","0.0859","","","","","","1.077","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102858","8.491","0.001","7.893","0.001","19.331","0.002","90","","90","","90","","1295.6","0.3","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac-trans-1,2-cyclohexanediol","","- C6 H12 O2 -","- C6 H12 O2 -","- C48 H96 O16 -","8","1","WS5054","Lloyd, Michael A.; Patterson, Garth E.; Simpson, Greg H.; Duncan, Laura L.; King, Daniel P.; Fu, Yigang; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt","Solid-state compounds of stereoisomers: <i>cis</i> and <i>trans</i> isomers of 1,2-cyclohexanediol and 2,3-tetralindiol","Acta Crystallographica Section B","2007","63","3","433","447","10.1107/S0108768107010579","","","0.71073","MoKα","","0.0477","0.0362","","","0.0832","0.0895","","","","","","1.05","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102936","5.7568","0.0007","11.5136","0.0013","16.2827","0.0018","90","","90","","90","","1079.2","0.2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rubidium iron dioxide","","- Fe O2 Rb -","- Fe O2 Rb -","- Fe16 O32 Rb16 -","16","2","BP5004","Nuss, Jürgen; Ali, Naveed Zafar; Jansen, Martin","Structure of RbFeO~2~, refined from a reticular pseudomerohedrally twinned crystal with six domains","Acta Crystallographica Section B","2007","63","5","719","725","10.1107/S0108768107037147","","","0.71073","MoKα","","0.1156","0.0529","","","0.1074","0.1256","","","","","","1.165","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102937","8.428","0.0019","8.986","0.002","26.233","0.006","90","","90","","90","","1986.7","0.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium)tetraiodoplumbate(II)","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.1121","0.1014","","","0.2653","0.27","","","","","","1.376","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102938","8.8764","0.0001","8.6925","0.0001","27.6014","0.0005","90","","90","","90","","2129.67","0.05","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(butylammonium)tetraiodoplumbate(II)","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0534","0.0372","","","0.073","0.0762","","","","","","1.089","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102941","9.0078","0.001","8.731","0.001","29.956","0.004","90","","90","","90","","2356","0.5","333","2","333","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(pentylammonium)tetraiodoplumbate(II)","","- C10 H28 I4 N2 Pb -","- C10 H28 I4 N2 Pb -","- C40 H112 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.1546","0.124","","","0.2711","0.2835","","","","","","1.318","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102943","8.9413","0.0002","8.6874","0.0002","32.7027","0.001","90","","90","","90","","2540.24","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(hexylammonium)tetraiodoplumbate(II)","","- C12 H32 I4 N2 Pb -","- C12 H32 I4 N2 Pb -","- C48 H128 I16 N8 Pb4 -","4","0.5","BS5044","Billing, David G.; Lemmerer, Andreas","Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6","Acta Crystallographica Section B","2007","63","5","735","747","10.1107/S0108768107031758","","","0.71073","MoKα","","0.0958","0.0814","","","0.1636","0.1682","","","","","","1.335","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102973","7.1927","0.0002","21.2168","0.0007","28.6771","0.001","90","","90","","90","","4376.3","0.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-isonicotinoyl benzaldehydehydrazone","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C208 H176 N48 O16 -","16","2","BM5048","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers","Acta Crystallographica Section B","2007","63","6","879","895","10.1107/S0108768107036270","","","0.71073","MoKα","","0.0854","0.0468","","","0.1145","0.1333","","","","","","1.047","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102975","13.191","0.0004","18.8057","0.0006","18.2843","0.0004","90","","90","","90","","4535.7","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-isonicotinoyl 3-fluorobenzaldehydehydrazone","","- C13 H10 F N3 O -","- C13 H10 F N3 O -","- C208 H160 F16 N48 O16 -","16","2","BM5048","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers","Acta Crystallographica Section B","2007","63","6","879","895","10.1107/S0108768107036270","","","0.71073","MoKα","","0.0857","0.0632","","","0.1387","0.1509","","","","","","1.104","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103062","14.1667","0.0004","20.7513","0.0006","7.4516","0.0003","90","","90","","90","","2190.6","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-methoxyphenyl)pyrazinecarboxamide","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C96 H88 N24 O16 -","8","1","BM5049","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Ferreira, Marcelle de L.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Patterns of hydrogen bonding in mono- and di-substituted <i>N</i>-arylpyrazinecarboxamides","Acta Crystallographica Section B","2008","64","1","84","100","10.1107/S0108768107051804","","","0.71073","MoKα","","0.0622","0.0383","","","0.0884","0.0987","","","","","","1.046","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103113","18.294","0.004","17.411","0.004","19.047","0.004","90","","90","","90","","6067","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl4 N5 P3 -","- C28 H28 Cl4 N5 P3 -","- C224 H224 Cl32 N40 P24 -","8","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0681","0.0385","","","0.0912","0.1043","","","","","","0.873","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103224","9.738","","23.63","","13.584","","90","","90","","90","","3125.8","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Trichloro-bis(3-methylimidazole-2-thione-S)Sb(III)","","- C8 H12 Cl3 N4 S2 Sb -","- C8 Cl3 N4 S2 Sb -","- C64 Cl24 N32 S16 Sb8 -","8","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199499","2020-10-21","18:00:00",""
"2103621","17.42","","7.421","","8.939","","90","","90","","90","","1155.58","","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.103","0.103","","","","0.185","","","","","","1.2","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103622","17.549","","7.446","","8.959","","90","","90","","90","","1170.67","","250","1","250","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.093","0.093","","","","0.171","","","","","","1.182","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103623","17.576","","7.456","","8.963","","90","","90","","90","","1174.57","","280","1","280","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.121","0.121","","","","0.191","","","","","","1.294","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103624","17.589","","7.458","","8.967","","90","","90","","90","","1176.28","","290","1","290","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.097","0.097","","","","0.159","","","","","","1.218","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103625","17.595","","7.46","","8.968","","90","","90","","90","","1177.13","","295","1","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.094","0.094","","","","0.163","","","","","","1.245","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103626","17.601","","7.461","","8.968","","90","","90","","90","","1177.69","","300","1","300","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.09","0.09","","","","0.154","","","","","","1.209","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103627","17.608","","7.462","","8.97","","90","","90","","90","","1178.58","","305","1","305","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.099","0.099","","","","0.165","","","","","","1.291","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103628","17.614","","7.463","","8.971","","90","","90","","90","","1179.27","","310","1","310","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.167","","","","","","1.23","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103629","17.621","","7.463","","8.972","","90","","90","","90","","1179.87","","315","1","315","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.102","0.102","","","","0.166","","","","","","1.27","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103630","17.629","","7.465","","8.974","","90","","90","","90","","1180.98","","320","1","320","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.103","0.103","","","","0.161","","","","","","1.279","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103631","17.639","","7.466","","8.975","","90","","90","","90","","1181.94","","330","1","330","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.163","","","","","","1.287","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103632","17.648","","7.467","","8.976","","90","","90","","90","","1182.84","","335","1","335","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urea-phosphoric acid","Urea-phosphoric acid 1:1 complex","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","AN0570","Wilson, Chick C.","Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1)","Acta Crystallographica Section B","2001","57","3","435","439","10.1107/S0108768100018875","","neutron","","neutron","","0.101","0.101","","","","0.163","","","","","","1.261","","","","has coordinates","209498","2020-10-21","18:00:00",""
"2103635","18.119","0.003","10.812","0.002","25.665","0.005","90","0.001","90","0.001","90","0.001","5027.8","1.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","1","AN0579","Nassimbeni, Luigi R.; Su, Hong","Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation","Acta Crystallographica Section B","2001","57","3","394","398","10.1107/S010876810002108X","","","0.71073","MoKα","","0.086","0.043","","","","0.1122","","","","","","1.022","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103643","17.43","0.02","7.43","0.02","8.97","0.02","90","","90","","90","","1161","4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","urea phosphate","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","CA0006","Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.","Experimental electron density of urea‒phosphoric acid (1/1) at 100K","Acta Crystallographica Section B","2001","57","3","353","358","10.1107/S0108768101004359","","neutron","1.207","neutron","","0.069","0.053","","","","0.053","","","","","","1.35","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103644","17.4527","0.0007","7.4465","0.0005","8.9589","0.0004","90","","90","","90","","1164.31","0.09","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","urea phosphate","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","CA0006","Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G.","Experimental electron density of urea‒phosphoric acid (1/1) at 100K","Acta Crystallographica Section B","2001","57","3","353","358","10.1107/S0108768101004359","","","0.71073","MoKα","","0.0963","0.0577","","","","0.053","","","","","","0.69","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103733","12.5662","0.0006","10.1714","0.0006","14.3863","0.0009","90","","90","","90","","1838.8","0.18","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-dimethylaminocyclohexanone oxime","","- C8 H16 N2 O -","- C8 H16 N2 O -","- C64 H128 N16 O8 -","8","1","NA0119","Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella","Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime","Acta Crystallographica Section B","2001","57","5","705","713","10.1107/S0108768101009624","","","0.71073","MoKα","","0.0709","0.039","","","","0.1146","","","1.031","","","1.031","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103739","12.845","0.002","15.0121","0.0007","18.643","0.0008","90","","90","","90","","3594.9","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-isopropyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C152 H168 N8 O32 S16 -","8","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","1.5418","CuKα","","0.064","0.064","","0.069","","0.069","","","0.984","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103740","9.826","0.002","14.632","0.002","23.77","0.004","90","","90","","90","","3417.5","1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-cyclopropyl-[2.2]paracyclophane-4,15-disulfonimide","","- C19 H19 N O4 S2 -","- C19 H19 N O4 S2 -","- C152 H152 N8 O32 S16 -","8","1","AN0584","De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk","Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides","Acta Crystallographica Section B","2001","57","6","780","790","10.1107/S0108768101013817","","","0.71069","MoKα","","0.046","0.046","","0.052","","0.052","","","0.772","","","0.772","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2103779","13.469","0.001","7.458","0.0001","26.656","0.002","90","","90","","90","","2677.6","0.3","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","benzoylmethyl 4-chlorophenyl sulfone","","- C14 H11 Cl O3 S -","- C14 H11 Cl O3 S -","- C112 H88 Cl8 O24 S8 -","8","1","OS0077","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone","Acta Crystallographica Section B","2001","57","6","806","814","10.1107/S0108768101016238","","","1.54178","CuKα","","0.0751","0.0636","","","","0.1976","","","","","","1.051","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103968","6.6971","0.0002","15.741","0.0006","9.1635","0.0003","90","","90","","90","","966.01","0.06","240","2","240","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6.016 -","- C8 H24 Na16 O48.128 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0449","0.0281","","","0.0654","0.0735","","","","","","1.038","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103969","6.6871","0.0002","15.7473","0.0006","9.154","0.0003","90","","90","","90","","963.95","0.06","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6.0188 -","- C8 H24 Na16 O48.1504 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0405","0.0288","","","0.0687","0.0745","","","","","","1.05","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103970","6.6592","0.0002","15.7511","0.0008","9.1254","0.0004","90","","90","","90","","957.16","0.07","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6 -","- C8 H24 Na16 O48 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.038","0.0269","","","0.0597","0.0644","","","","","","1.027","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103971","6.6521","0.0003","15.7579","0.0008","9.1062","0.0004","90","","90","","90","","954.54","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C H3 Na2 O6 -","- C H3 Na2 O6 -","- C8 H24 Na16 O48 -","8","1","NA5004","Pritchard, Robin Gavin; Islam, Emran","Sodium percarbonate between 293 and 100K","Acta Crystallographica Section B","2003","59","5","596","605","10.1107/S0108768103012291","","","0.71073","MoKα","","0.0385","0.0271","","","0.0627","0.0676","","","","","","1.043","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103998","7.765","0.002","11.59","0.002","13.172","0.002","90","0.002","90","0.002","90","0.002","1185.4","0.4","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0888","0.0489","","","0.1294","0.152","","","","","","1.022","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103999","7.79","0.001","11.604","0.001","13.185","0.001","90","0.002","90","0.002","90","0.002","1191.9","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0831","0.0455","","","0.1174","0.1344","","","","","","1.029","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104000","7.819","0.001","11.627","0.001","13.206","0.001","90","0.002","90","0.002","90","0.002","1200.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1165","0.0545","","","0.1521","0.1914","","","","","","0.94","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104001","7.935","0.001","11.712","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1228.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0894","0.0486","","","0.1259","0.1492","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104002","7.765","0.002","11.59","0.002","13.172","0.002","90","0.002","90","0.002","90","0.002","1185.4","0.4","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0829","0.0424","","","0.1087","0.1278","","","","","","1.043","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104003","7.79","0.001","11.604","0.002","13.185","0.002","90","0.002","90","0.002","90","0.002","1191.9","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0754","0.0379","","","0.0949","0.1084","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104004","7.819","0.001","11.627","0.001","13.206","0.001","90","0.002","90","0.002","90","0.002","1200.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1157","0.0532","","","0.1647","0.2049","","","","","","1.023","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104005","7.864","0.001","11.662","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1212.2","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1529","0.0523","","","0.106","0.1433","","","","","","0.939","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104006","7.935","0.001","11.712","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1228.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.0861","0.0454","","","0.0977","0.1152","","","","","","1.022","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104007","7.864","0.001","11.662","0.001","13.218","0.001","90","0.002","90","0.002","90","0.002","1212.2","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BMTE","E-1,2-bis(3-methoxy-2-thienyl)ethene","","- C12 H12 O2 S2 -","- C12 H12 O2 S2 -","- C48 H48 O8 S8 -","4","0.5","BM5001","Blockhuys, Frank; Vande Velde, Christophe M. L.; Maes, Stefan T.; Peten, Carl; Geise, Herman J.; Van Alsenoy, Christian; Lenstra, Albert T. H.","Molecular and crystal properties of <i>E</i>-1,2-bis(3-methoxy-2-thienyl)ethene: static disorder in the crystal","Acta Crystallographica Section B","2003","59","6","770","778","10.1107/S0108768103021013","","","0.71073","MoKα","","0.1561","0.0562","","","0.1339","0.1738","","","","","","1.008","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104072","10.5381","0.0008","15.7519","0.0014","22.626","0.002","90","","90","","90","","3755.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2R,4S,5R)-3-tert-butyl-2-ethyl-4,5-diphenyl- [1,3,2]-oxazaphospholidine2-oxide","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C160 H208 N8 O16 P8 -","8","1","GP5020","van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.","Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes","Acta Crystallographica Section B","2008","64","2","196","205","10.1107/S0108768107061770","","","0.50606","synchrotron","","0.062","0.0515","","0.063","0.0517","0.0517","","","","","","0.9846","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104166","7.2155","0.0015","6.2725","0.0012","10.828","0.002","90","","90","","90","","490.07","0.17","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C16 H16 N8 O8 -","4","0.5","BS5062","Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek","Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles","Acta Crystallographica Section B","2008","64","4","497","503","10.1107/S0108768108018272","","","0.71073","MoKα","","0.0582","0.0416","","","0.0995","0.1178","","","","","","1.133","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104167","12.451","0.0004","8.5089","0.0003","18.0764","0.0005","90","","90","","90","","1915.09","0.11","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C64 H64 N16 O32 -","8","1","BS5062","Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek","Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles","Acta Crystallographica Section B","2008","64","4","497","503","10.1107/S0108768108018272","","","0.71073","MoKα","","0.0413","0.0286","","","0.0704","0.078","","","","","","1.085","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104182","7.0297","0.0009","13.859","0.003","25.766","0.006","90","","90","","90","","2510.2","0.9","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(6-Amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol","","- C11 H17 N7 O -","- C11 H17 N7 O -","- C88 H136 N56 O8 -","8","1","BM5056","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions","Acta Crystallographica Section B","2008","64","5","610","622","10.1107/S0108768108019903","","","0.71073","MoKα","","0.1593","0.0705","","","0.1697","0.2239","","","","","","1.006","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104183","16.5577","0.0012","8.6833","0.0003","18.464","0.0013","90","","90","","90","","2654.7","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^4^-Methyl-N^4^-(4-phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine monohydrate","","- C13 H16 N6 O -","- C13 H16 N6 O -","- C104 H128 N48 O8 -","8","1","BM5056","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","Anhydrous <i>versus</i> hydrated <i>N</i>^4^-substituted 1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions","Acta Crystallographica Section B","2008","64","5","610","622","10.1107/S0108768108019903","","","0.71073","MoKα","","0.0796","0.0465","","","0.1034","0.1219","","","","","","1.092","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104238","15.352","0.001","16.278","0.001","30.716","0.002","90","","90","","90","","7675.9","0.8","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cis-tetraaquadinitratonickel(II) (15-crown-5) trans-tetraaquadinitratonickel(II) (15-crown-5)","","","- C20 H56 N4 Ni2 O30 -","- C20 H56 N4 Ni2 O30 -","- C160 H448 N32 Ni16 O240 -","8","1","BS5068","Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt","The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5","Acta Crystallographica Section B","2008","64","6","725","737","10.1107/S0108768108034058","","","0.71073","MoKα","","0.0725","0.0362","","","0.0689","0.0786","","","","","","1.018","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104249","9.1724","0.0018","7.185","0.0014","27.407","0.006","90","","90","","90","","1806.2","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(RS)-2-phenylbutyric acid","","- C10 H12 O2 -","- C10 H12 O2 -","- C80 H96 O16 -","8","1","BS5070","Lemmerer, Andreas; Báthori, Nikoletta B.; Bourne, Susan A.","Chiral carboxylic acids and their effects on melting-point behaviour in co-crystals with isonicotinamide","Acta Crystallographica Section B","2008","64","6","780","790","10.1107/S0108768108034526","","","0.71073","MoKα","","0.0545","0.0371","","","0.0797","0.0878","","","","","","1.041","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104394","13.6371","0.0005","13.6689","0.0005","13.728","0.0005","90","","90","","90","","2558.96","0.16","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium magnesium leucite","dicesium magnesium pentasilicate","","- Cs2 Mg O12 Si5 -","- Cs2 Mg O12 Si5 -","- Cs16 Mg8 O96 Si40 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","0.993773","Synchrotron","","0.0555","","","","","","","","2.786","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104395","13.422","0.001","13.406","0.001","13.73","0.001","90","","90","","90","","2470.5","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium magnesium leucite","dicesium rubidium pentasilicate","","- Mg O12 Rb2 Si5 -","- Mg O12 Rb2 Si5 -","- Mg8 O96 Rb16 Si40 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","1.5051","Synchrotron","","0.0662","","","","","","","","2.152","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104396","13.6415","0.0009","13.6233","0.0008","13.6653","0.0009","90","","90","","90","","2539.6","0.3","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium zinc leucite","dicesium zinc pentasilicate","","- Cs2 O12 Si5 Zn -","- Cs2 O12 Si5 Zn -","- Cs16 O96 Si40 Zn8 -","8","1","HW5004","Bell, A. M. T.; Henderson, C. M. B.","Crystal structures and cation ordering in Cs~2~MgSi~5~O~12~, Rb~2~MgSi~5~O~12~ and Cs~2~ZnSi~5~O~12~ leucites","Acta Crystallographica Section B","2009","65","4","435","444","10.1107/S0108768109024860","powder diffraction","","0.993773","Synchrotron","","0.0875","","","","","","","","1.675","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104639","9.4715","0.0004","11.4963","0.0005","13.0802","0.0006","90","","90","","90","","1424.27","0.11","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.71073","MoKα","","0.0686","0.0638","","0.1525","0.1496","0.1525","","","","","","1.0783","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104640","9.431","0.003","11.438","0.007","13.018","0.003","90","","90","","90","","1404.3","1","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0738","0.0415","","0.0606","0.0465","0.0465","","","","","","0.9772","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104641","9.1517","0.0006","11.1659","0.0016","12.5744","0.0007","90","","90","","90","","1284.9","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0724","0.0464","","0.0714","0.0595","0.0595","","","","","","1.0281","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104642","9.0252","0.0005","11.0298","0.0014","12.335","0.0006","90","","90","","90","","1227.9","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0649","0.0445","","0.0623","0.0554","0.0554","","","","","","0.9819","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104643","8.944","0.0005","10.9336","0.0014","12.1698","0.0006","90","","90","","90","","1190.09","0.18","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0727","0.0464","","0.0657","0.0544","0.0544","","","","","","0.9971","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104644","8.8854","0.0005","10.8632","0.0014","12.0516","0.0006","90","","90","","90","","1163.27","0.17","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0691","0.0446","","0.0633","0.053","0.053","","","","","","0.9897","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104645","8.8458","0.0005","10.8143","0.0014","11.9708","0.0006","90","","90","","90","","1145.14","0.17","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0761","0.0428","","0.0595","0.0479","0.0479","","","","","","0.9885","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104646","8.8188","0.0006","10.7838","0.0017","11.9105","0.0008","90","","90","","90","","1132.7","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.078","0.0449","","0.0637","0.0513","0.0513","","","","","","0.9832","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104647","8.7881","0.0013","10.735","0.002","11.859","0.002","90","","90","","90","","1118.8","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0944","0.0532","","0.0891","0.0607","0.0607","","","","","","1.0186","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104648","8.7873","0.001","10.71","0.002","11.8632","0.0012","90","","90","","90","","1116.5","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.0994","0.0606","","0.0936","0.0746","0.0746","","","","","","1.0228","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104649","8.778","0.002","10.656","0.004","11.884","0.003","90","","90","","90","","1111.6","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Betaine monohydrate","","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C40 H104 N8 O24 -","8","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4762","synchrotron","","0.1307","0.0997","","0.1512","0.1348","0.1348","","","","","","1.0183","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104676","13.58943","0.00006","13.57355","0.00005","13.62296","0.00004","90","","90","","90","","2512.85","0.016","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","cesium copper leucite","","","- Cs2 Cu O12 Si5 -","- Cs2 Cu O12 Si5 -","- Cs16 Cu8 O96 Si40 -","8","1","HW5006","Bell, A. M. T.; Knight, K. S.; Henderson, C. M. B.; Fitch, A. N.","Revision of the structure of Cs~2~CuSi~5~O~12~ leucite as orthorhombic <i>Pbca</i>","Acta Crystallographica Section B","2010","66","1","51","59","10.1107/S0108768109054895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104681","36.4368","0.001","11.5998","0.0004","45.8014","0.0011","90","","90","","90","","19358.4","1","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H17.2 Fe Na2 O4.6 -","- C24 H17.2 Fe Na2 O4.6 -","- C960 H688 Fe40 Na80 O184 -","40","5","BK5092","Gallagher, John F.; Alley, Steven; Brosnan, Marianne; Lough, Alan J.","1,1'-Fc(4-C~6~H~4~CO~2~Et)~2~ and its unusual salt derivative with <i>Z</i>' = 5, <i>catena</i>-[Na^+^]~2~[1,1'-Fc(4-C~6~H~4~CO~2~^{-^})~2~]·0.6H~2~O [1,1'-Fc = (η^5^-(C~5~H~4~)~2~Fe]","Acta Crystallographica Section B","2010","66","2","196","205","10.1107/S0108768110004040","","","0.71073","MolybdenumKα","","0.2296","0.0637","","","0.113","0.1576","","","","","","0.942","","","","has coordinates,has Fobs","283803","2023-05-16","08:05:53",""
"2104794","8.3222","0.0002","9.5441","0.0002","27.0123","0.0006","90","","90","","90","","2145.53","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","HEPES","4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","PI5006","Śledź, Paweł; Kamiński, Radosław; Chruszcz, Maksymilian; Zimmerman, Matthew D.; Minor, Wladek; Woźniak, Krzysztof","An experimental charge density of HEPES","Acta Crystallographica Section B","2010","66","4","482","492","10.1107/S0108768110023025","","x-ray","0.71073","MoKα","","0.063","0.023","","","","0.048","0.027","","","","","1.171","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104815","9.7668","0.0008","16.5318","0.0014","30.463","0.003","90","","90","","90","","4918.6","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.71073","MoKα","","0.0773","0.0457","","","0.1053","0.1269","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104816","9.7668","0.0008","16.5318","0.0014","30.463","0.003","90","","90","","90","","4918.6","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.71073","MoKα","","0.1024","0.0486","","","0.1007","0.1312","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2104820","16.495","0.003","17.36","0.003","23.009","0.004","90","","90","","90","","6589","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2"",4,4"",6,6""-hexa-tert-butyl-azobenzene","","- C36 H58 N2 -","- C36 H58 N2 -","- C288 H464 N16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.7107","MoKα","","0.1428","0.0847","","","0.2108","0.2396","","","","","","1.073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104822","9.7674","0.0002","16.534","0.0003","30.4455","0.0005","90","","90","","90","","4916.77","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","1.54178","CuKα","","0.0409","0.0383","","","0.0929","0.0948","","","","","","1.025","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104823","9.888","0.0006","16.6917","0.001","30.5802","0.0018","90","","90","","90","","5047.2","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","0.71073","MoKα","","0.0906","0.0503","","","0.1335","0.1613","","","","","","1.03","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104824","9.8836","0.0003","16.7096","0.0005","30.5719","0.001","90","","90","","90","","5049","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,15-di-(tert-butyl)-hexahelicene","","- C34 H31.98 I0.02 -","- C34 H31.98 I0.02 -","- C272 H255.84 I0.16 -","8","1","BK5096","Frey, Joseph; Khan, Saeed I.; Knobler, Carolyn B.; Lightner, David A.; Maverick, Emily F.; Phillips, Daniel J.; Rappoport, Zvi; Trueblood, Kenneth N.","Thermal motion of <i>tert</i>-butyl groups III. <i>tert</i>-Butyl substituents in aromatic hydrocarbons, the view from the bottom of the well","Acta Crystallographica Section B","2010","66","6","622","638","10.1107/S0108768110040024","","","1.54178","CuKα","","0.0636","0.0494","","","0.1326","0.143","","","","","","1.052","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104838","7.1342","0.0002","19.2898","0.0005","25.4147","0.0006","90","","90","","90","","3497.5","0.16","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(acetylamino)phenylazide","4-(acetylamino)phenylazide","","- C8 H8 N4 O -","- C8 H8 N4 O -","- C128 H128 N64 O16 -","16","2","OG5042","Takayama, Terufumi; Mitsumori, Takahiro; Kawano, Masaki; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Sugawara, Tadashi","Direct observation of arylnitrene formation in the photoreaction of arylazide crystals","Acta Crystallographica Section B","2010","66","6","639","646","10.1107/S0108768110036608","","","0.71073","MoKα","","0.0535","0.0402","","","0.1051","0.112","","","","","","1.032","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104858","8.5364","0.0002","15.0148","0.0003","21.3846","0.0003","90","","90","","90","","2740.91","0.09","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N3 O2 S2 -","- C11 N3 O2 S2 -","- C88 N24 O16 S16 -","8","1","ZB5014","Hangan, Adriana; Borodi, Gheorghe; Filip, Xenia; Tripon, Carmen; Morari, Cristian; Oprean, Luminita; Filip, Claudiu","Structure of <i>N</i>-(5-ethyl-[1,3,4]-thiadiazole-2-yl)toluenesulfonamide by combined X-ray powder diffraction, ^13^C solid-state NMR and molecular modelling","Acta Crystallographica Section B","2010","66","6","615","621","10.1107/S0108768110039327","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.19","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104867","8.9331","0.0003","16.5714","0.0007","25.7127","0.0009","90","","90","","90","","3806.4","0.2","78","2","78","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dibenzylammonium 4-azidebenzoate","Dibenzylammonium 4-azidebenzoate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C168 H160 N32 O16 -","8","1","OG5043","Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation","Acta Crystallographica Section B","2010","66","6","647","661","10.1107/S010876811003661X","","","0.71075","MoKα","","0.0631","0.0541","","","0.1152","0.1211","","","","","","1.114","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104869","12.925","0.003","8.273","0.002","23.954","0.005","90","","90","","90","","2561.4","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Amino-phenyl-methylene)chroman-2,4-dione","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C128 H88 N8 O24 -","8","1","SN5099","Małecka, Magdalena; Checińska, Lilianna; Rybarczyk-Pirek, Agnieszka; Morgenroth, Wolfgang; Paulmann, Carsten","Electron density studies on hydrogen bonding in two chromone derivatives","Acta Crystallographica Section B","2010","66","6","687","695","10.1107/S0108768110040875","","","0.6","synchrotron","","0.029","0.025","","","","0.048","0.037","","","","","2.276","","","","has coordinates,has Fobs","201208","2020-10-21","18:00:00",""
"2104941","7.4298","0.0005","22.0791","0.0005","19.4442","0.0006","90","","90","","90","","3189.7","0.2","320","2","320","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 Cd3 Cl10 N4 -","- C12 H40.004 Cd3 Cl10 N4 -","- C48 H160.016 Cd12 Cl40 N16 -","4","0.5","KD5047","Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir","Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network","Acta Crystallographica Section B","2011","67","2","122","129","10.1107/S0108768110054583","","","0.71073","MoKα","","0.0325","0.024","","","0.0594","0.0615","","","","","","1.007","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104969","13.0745","0.0002","12.9669","0.0002","13.6824","0.0003","90","","90","","90","","2319.66","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(mu~2~-2-(dimethylamino)ethoxo-N,O,O)-di(phenolyato-O)-di-tin(II)","","- C20 H30 N2 O4 Sn2 -","- C20 H30 N2 O4 Sn2 -","- C80 H120 N8 O16 Sn8 -","4","0.5","GW5015","Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu.","Bis(μ^2^-2-(dimethylamino)ethoxo-<i>N</i>,<i>O</i>,<i>O</i>)-di(phenolato-<i>O</i>)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study","Acta Crystallographica Section B","2011","67","4","315","323","10.1107/S0108768111022695","","","0.71073","MoKα","","0.0472","0.0229","","","0.047","0.0921","","","","","","1.004","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105043","11.827","0.002","7.875","0.002","23.504","0.005","90","","90","","90","","2189.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-hydroxy-2-phenyl-2,3-dihydro-isoindol-1-one","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","SN5107","Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter","Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions","Acta Crystallographica Section B","2011","67","6","569","581","10.1107/S0108768111041747","","","0.6","synchrotron","","0.032","0.024","","","","0.041","0.034","","","","","3.176","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105052","11.8237","0.0004","7.3971","0.0003","17.1526","0.0007","90","","90","","90","","1500.19","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","EB5012","Chan, E. J.; Goossens, D. J.","Study of the single-crystal X-ray diffuse scattering in paracetamol polymorphs","Acta Crystallographica Section B","2012","68","1","80","88","10.1107/S0108768111046295","","","0.71073","MoKα","","0.0652","0.0399","","","0.1013","0.117","","","","","","1.023","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105200","5.43867","0.00018","10.9236","0.0003","15.4564","0.0004","90","","90","","90","","918.26","0.05","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.901","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105201","5.4457","0.0003","10.9401","0.0007","15.4698","0.0009","90","","90","","90","","921.64","0.09","400","","400","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4079","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105202","5.456","0.0004","10.9617","0.0008","15.4893","0.0012","90","","90","","90","","926.37","0.12","500","","500","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.5508","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105203","5.4668","0.0004","10.9862","0.0009","15.5103","0.0014","90","","90","","90","","931.54","0.13","600","","600","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4074","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105204","5.4788","0.0005","11.0123","0.0011","15.5359","0.0018","90","","90","","90","","937.35","0.17","700","","700","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","1.4794","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105205","5.4888","0.0002","11.0346","0.0004","15.5598","0.0005","90","","90","","90","","942.41","0.06","773","","773","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al K O2 -","- Al K O2 -","- Al16 K16 O32 -","16","2","KD5061","Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Blatov, Vladislav A.","The natural tiling approach to cation conductivity in KAlO~2~ polymorphs","Acta Crystallographica Section B","2012","68","4","356","363","10.1107/S0108768112027462","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","5.9903","","","","","","","has coordinates","184482","2020-10-21","18:00:00",""
"2105212","11.9981","0.0007","7.2291","0.0005","24.6145","0.0013","90","","90","","90","","2135","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B F4 N O2 -","- C8 H14 B F4 N O2 -","- C64 H112 B8 F32 N8 O16 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0751","0.0394","","","0.0855","0.0925","","","","","","0.989","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105214","11.0446","0.0009","8.0666","0.0005","29.755","0.002","90","","90","","90","","2650.9","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H18 N O7 P -","- C8 H18 N O7 P -","- C64 H144 N8 O56 P8 -","8","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0975","0.0711","","","0.1375","0.1531","","","","","","1.143","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105217","9.5614","0.0003","9.5543","0.0003","22.7766","0.0007","90","","90","","90","","2080.7","0.11","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N2 O8 S2 -","- C18 H28 N2 O8 S2 -","- C72 H112 N8 O32 S8 -","4","0.5","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0481","0.0312","","","0.0724","0.0757","","","","","","0.953","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2105260","11.744","0.004","7.601","0.003","18.102","0.006","90","","90","","90","","1615.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,5-dimethylphthalic anhydride","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","1","PS5015","Britton, Doyle; Young, Jr, Victor G.; Noland, Wayland E.; Pinnow, Matthew J.; Clark, Christopher M.","Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide","Acta Crystallographica Section B","2012","68","5","536","542","10.1107/S0108768112037457","","","0.71073","MoKα","","0.0347","0.0333","","","0.0972","0.0986","","","","","","1.055","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105406","9.2792","","8.9103","","13.3719","","90","","90","","90","","1105.59","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca (B F4)2","","- B2 Ca F8 -","- B2 Ca F8 -","- B16 Ca8 F64 -","8","1","","Brown, W.E.; Schroeder, L.W.; Jordan, T.H.; Dickens, B.","The crystal structure of Ca (B F4)2","Acta Crystallographica B (24,1968-38,1982)","1975","31","","669","672","10.1107/S0567740875003597","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105425","13.714","","8.091","","8.631","","90","","90","","90","","957.696","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn (B4 O7)","","- B4 O7 Zn -","- B4 O7 Zn -","- B32 O56 Zn8 -","8","1","","Martinez-Carrera, S.; Martinez-Ripoll, M.; Garcia-Blanco, S.","The crystal structure of zinc diborate, Zn B4 O7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","672","677","10.1107/S0567740871002759","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105462","21.094","0.009","16.297","0.007","8.402","0.003","90","","90","","90","","2888","2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0755","0.0673","","","0.1311","0.1345","","","","","","1.218","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105480","6.15884","0.00015","11.5953","0.0003","14.639","0.0004","90","","90","","90","","1045.42","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H8 N2 S -","- C3 H8 N2 S -","- C24 H64 N16 S8 -","8","1","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.0316","0.0256","","","0.06","0.0625","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105572","11.616","0.005","8.12","0.003","15.64","0.009","90","","90","","90","","1475.2","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-formylbenzoyl chloride","3-chloro-1(3H)-isobenzofuranone","","- C8 H5 Cl O2 -","- C8 H5 Cl O2 -","- C64 H40 Cl8 O16 -","8","1","FR0002","Valente, E. J.; Martin, S. B.; Sullivan, L. D.","Pseudoacids. II. 2-Acylbenzoic Acid Derivatives","Acta Crystallographica Section B","1998","54","3","264","276","10.1107/S0108768197012020","","","0.71073","MoKα","","0.0683","0.0435","","0.1207","0.1164","","","","0.869","1.139","1.139","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105580","11.9723","0.0008","12.5938","0.001","15.063","0.002","90","","90","","90","","2271.2","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-2-thiazolinium N-methylpyrrole-2-carboxylate","","- C9 H13 N3 O2 S -","- C9 H13 N3 O2 S -","- C72 H104 N24 O16 S8 -","8","1","HA0177","Lynch, Daniel E.; Nicholls, Laura J.; Smith, Graham; Byriel, Karl A.; Kennard, Colin H. L.","Molecular co-crystals of 2-aminothiazole derivatives","Acta Crystallographica Section B","1999","55","5","758","766","10.1107/S0108768199003146","","","0.71073","MoKα","","0.0854","0.0366","","","","0.1172","","","","","","0.997","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105606","10.546","0.001","14.205","0.004","18.323","0.002","90","","90","","90","","2744.9","0.9","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(2-methoxyphenylamino)-6,6-dimethyl-2-cyclohexen-1-one","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C120 H152 N8 O16 -","8","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.047","","","","0.055","","","","","","1.77","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105609","14.244","0.002","9.645","0.001","23.711","0.003","90","","90","","90","","3257.5","0.7","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-4-(4-chlorophenylamino)-6-methyl-2-pyridone","","- C18 H14 Cl2 N2 O -","- C18 H14 Cl2 N2 O -","- C144 H112 Cl16 N16 O8 -","8","1","NA0080","Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.","Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers","Acta Crystallographica Section B","1998","54","1","50","65","10.1107/S0108768197008677","","","0.71069","MoKα","","","0.041","","","","0.047","","","","","","1.64","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105615","14.687","0.001","12.931","0.001","18.564","0.001","90","","90","","90","","3525.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane","","- C22 H25 N O -","- C22 H25 N O -","- C176 H200 N8 O8 -","8","1","NA0088","Kumaran, D.; Ponnuswamy, M. N.; Shanmugam, G.; Ponnuswamy, S.; Jeyaraman, R.; Shivakumar, K.; Fun, H.-K.","Molecular structures and conformations of three 3-azabicyclononanes","Acta Crystallographica Section B","1999","55","5","793","798","10.1107/S0108768199005273","","","0.71073","MoKα","","0.0783","0.0431","","0.1114","0.0994","","","","0.885","1.035","1.035","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105702","6.97","0.003","9.514","0.005","9.752","0.005","90","","90","","90","","646.7","0.6","150","","150","","","","","","","","Aldrich","3","P b c a","-P 2ac 2ab","61","","","","- C3 H4 O -","- C3 H4 O -","- C24 H32 O8 -","8","1","","Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd","Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test","Acta Crystallographica Section B Structural Science","2009","65","2","107","125","10.1107/S0108768109004066","","","0.71073","MoKα","","0.057","0.0447","","0.1195","0.0996","0.1195","","","","","","1.4022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105733","8.7377","0.0002","14.1088","0.0003","20.83","0.0005","90","","90","","90","","2567.89","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N2 S -","- C14 H18 N2 S -","- C112 H144 N16 S8 -","8","1","BI5003","Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L.","Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family","Acta Crystallographica Section B","2014","70","1","47","53","10.1107/S2052520613024384","","","0.71073","MoKα","","0.0357","0.0328","","","0.0823","0.0853","","","","","","1.079","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105749","8.522","0.0002","12.291","0.0003","14.309","0.0004","90","","90","","90","","1498.78","0.07","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(N-(2,6-difluorophenyl)formamide).(N-(2,6-dichlorophenyl)formamide) 0.73:0.27","","- C7 H5 Cl1.46 F0.54 N O -","- C7 H5 Cl1.456 F0.544 N O -","- C56 H40 Cl11.648 F4.352 N8 O8 -","8","1","GP5066","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0379","0.0359","","","0.089","0.0899","","","","","","1.254","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105750","8.5073","0.0012","13.093","0.002","14.448","0.002","90","","90","","90","","1609.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-(2,6-dichlorophenyl)formamide).(N-(2,6-dimethylphenyl)formamide) 0.48:0.52","","- C8.03 H8.1 Cl0.97 N O -","- C8.032 H8.096 Cl0.968 N O -","- C64.256 H64.768 Cl7.744 N8 O8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0835","0.0449","","","0.1157","0.1544","","","","","","0.857","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105751","9.208","0.0001","13.142","0.0002","14.617","0.0003","90","","90","","90","","1768.83","0.05","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N-(2,6-dichlorophenyl)thioamide).(N-(2,6-dimethylphenyl)thioamide) 0.11:0.89","","- C8.78 H10.35 Cl0.22 N S -","- C8.782 H10.346 Cl0.218 N S -","- C70.256 H82.768 Cl1.744 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides","Acta Crystallographica Section B","2014","70","1","106","114","10.1107/S2052520613022129","","","0.71073","MoKα","","0.0432","0.0347","","","0.0919","0.0967","","","","","","1.065","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105772","16.861","0.006","24.431","0.009","26.723","0.01","90","","90","","90","","11008","7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H9 Ag11 Br2 F27 N O21 -","- C26 H9 Ag11 Br2 F27 N O21 -","- C208 H72 Ag88 Br16 F216 N8 O168 -","8","1","BI5014","Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.","Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles","Acta Crystallographica Section B","2014","70","1","37","46","10.1107/S2052520614000171","","","0.71073","MoKα","","0.0764","0.0546","","","0.1369","0.1537","","","","","","1.084","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105776","14.607","0.0004","12.0315","0.0003","20.9654","0.0007","90","","90","","90","","3684.55","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 I2 N2 S6 -","- C12 H8 I2 N2 S6 -","- C96 H64 I16 N16 S48 -","8","1","BI5028","Lieffrig, Julien; Jeannin, Olivier; Vacher, Antoine; Lorcy, Dominique; Auban-Senzier, Pascale; Fourmigué, Marc","C—I···NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I~2~)~2~(TCNQF~4~), with segregated <i>versus</i> alternated stacks","Acta Crystallographica Section B","2014","70","1","141","148","10.1107/S2052520613032629","","","0.71073","MoKα","","0.0386","0.0301","","","0.0595","0.0625","","","","","","1.072","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105832","14.66658","0.00013","12.39497","0.00009","16.63509","0.00014","90","","90","","90","","3024.12","0.04","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0391","0.0287","","","0.0687","0.0739","","","","","","1.048","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105833","14.77158","0.00016","12.42598","0.00011","16.62769","0.00016","90","","90","","90","","3052.04","0.05","200.01","0.11","200.01","0.11","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0475","0.0318","","","0.0663","0.072","","","","","","1.061","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105834","14.92869","0.00016","12.49901","0.00011","16.58142","0.00015","90","","90","","90","","3093.99","0.05","293.01","0.12","293.01","0.12","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.7107","MoKα","","0.0481","0.0334","","","0.078","0.0846","","","","","","1.068","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105835","14.6452","0.0004","12.3672","0.0004","16.6648","0.0005","90","","90","","90","","3018.33","0.16","99.9","0.2","99.9","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.0969","0.0545","","","0.0977","0.1173","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105836","14.7079","0.0005","12.3931","0.0004","16.6458","0.0005","90","","90","","90","","3034.14","0.17","160","2","160.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1198","0.0658","","","0.1331","0.1633","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105837","14.796","0.0005","12.4275","0.0004","16.6266","0.0005","90","","90","","90","","3057.25","0.17","220","2","220.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1255","0.0656","","","0.1206","0.1518","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105838","14.8837","0.0006","12.4554","0.0005","16.6018","0.0005","90","","90","","90","","3077.7","0.2","280","2","280.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1424","0.0738","","","0.1551","0.1932","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105839","14.9204","0.0006","12.4737","0.0005","16.5884","0.0006","90","","90","","90","","3087.3","0.2","300","2","300.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1369","0.0662","","","0.1313","0.1662","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105840","14.9773","0.0006","12.5017","0.0005","16.5629","0.0006","90","","90","","90","","3101.3","0.2","320","2","320.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1516","0.0733","","","0.1545","0.1997","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105841","15.0401","0.0007","12.5366","0.0005","16.532","0.0006","90","","90","","90","","3117.1","0.2","340","2","340.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","GW5029","Madsen, Solveig Røgild; Lock, Nina; Overgaard, Jacob; Iversen, Bo Brummerstedt","Anisotropic thermal expansion in a metal‒organic framework","Acta Crystallographica Section B","2014","70","3","595","601","10.1107/S2052520614003497","","","0.71073","MoKα","","0.1549","0.0703","","","0.1501","0.1934","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105861","7.837","0.002","15.258","0.003","11.706","0.002","90","","90","","90","","1399.8","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.099","0.0503","","","0.1329","0.1517","","","","","","1.108","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105862","7.6473","0.001","15.155","0.0015","11.5909","0.0012","90","","90","","90","","1343.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.0814","0.0541","","","0.127","0.1503","","","","","","1.399","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105863","7.8346","0.0019","15.27","0.004","11.684","0.003","90","","90","","90","","1397.8","0.6","250","2","250","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","o-dibromobenzene","1,2-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.1311","0.0548","","","0.1165","0.146","","","","","","0.992","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105947","7.1002","0.0009","14.349","0.0018","27.54","0.004","90","","90","","90","","2805.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3a","","","- C10 H11 Cd I2 N O2 -","- C10 H11 Cd I2 N O2 -","- C80 H88 Cd8 I16 N8 O16 -","8","1","BM5063","Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli","3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials","Acta Crystallographica Section B","2014","70","4","705","713","10.1107/S2052520614006210","","","0.71073","MoKα","","0.031","0.0244","","","0.0492","0.0513","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105971","20.17","0.002","21.875","0.003","22.541","0.003","90","","90","","90","","9946","2","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H85.4 Cl6 F6 N38 O36.7 Rh4 Si -","- C60 H60 Cl6 F6 N38 O36.7 Rh4 Si -","- C240 H240 Cl24 F24 N152 O146.8 Rh16 Si4 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.0728","0.0594","","","0.1555","0.18","","","","","","1.168","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105972","20.289","0.004","21.524","0.005","22.45","0.005","90","","90","","90","","9804","4","296.15","","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H82.82 Cl8 N38 O43.41 Rh4 -","- C60 H60 Cl8 N38 O43.4 Rh4 -","- C240 H240 Cl32 N152 O173.6 Rh16 -","4","0.5","","Jin-Long; Uemura, Kazuhiro; Ebihara, Masahiro","Assembled structures of tetrakis(biimidazole)dirhodium complexes hydrogen-bonded with common inorganic anions","Acta Crystallographica Section B","2014","70","6","1006","1019","10.1107/S2052520614021428","","","0.71069","MoKα","","0.119","0.0915","","","0.2113","0.2309","","","","","","1.148","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2106175","19.07","","24.42","","10.915","","90","","90","","90","","5083","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H4)10 (H2 W12 O42) (H2 O)10","","- H62 N10 O52 W12 -","- N10 O52 W12 -","- N40 O208 W48 -","4","0.5","","Allmann, R.","Die Struktur des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1393","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","146579","2020-10-21","18:00:00",""
"2106206","8.171","","12.815","","14.035","","90","","90","","90","","1469.62","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S6 (N H)2","","- H2 N2 S6 -","- H2 N2 S6 -","- H16 N16 S48 -","8","1","","Postma, H.J.; van Bolhuis, F.; Vos, A.","The molecular and crystal structure of cyclohexasulphur-1,3-diimide, S6 (N H)2 isomer III","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2480","2486","","","","","","","","","","","","","","","","","","","","","","has coordinates","147419","2020-10-21","18:00:00",""
"2106215","5.6438","","6.2867","","9.9372","","90","","90","","90","","352.581","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(U O2) (O H)2","","- H2 O4 U -","- H2 O4 U -","- H8 O16 U4 -","4","0.5","","Taylor, J.C.; Hurst, H.J.","The hydrogen atom locations in the alpha and beta forms of uranyl hydroxide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2018","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106229","11.109","","12.41","","6.487","","90","","90","","90","","894.315","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","U O2 (N H2 O)2 (N H2 O H)2 (H2 O)2","","- H14 N4 O8 U -","- H14 N4 O8 U -","- H56 N16 O32 U4 -","4","0.5","","Adrian, H. W. W.; van Tets, A.","Bis(hydroxylamido)bis(hydroxylamine)dioxouranium(VI) dihydrate","Acta Crystallographica B (24,1968-38,1982)","1978","34","2","652","653","10.1107/S0567740878003702","","","","","","","","","","","","","","","","","","","","","has coordinates","189213","2020-10-21","18:00:00",""
"2106230","12.99","","12.34","","7.19","","90","","90","","90","","1152.53","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ba (Al O (O H)2)2","","- Al2 Ba H4 O6 -","- Al2 Ba O6 -","- Al16 Ba8 O48 -","8","1","","Ahmed, A.H.M.; Dent Glasser, L.S.","Barium Aluminate Hydrates. III. The Crystal Structure of alpha- Ba (Al O (O H)2)2","Acta Crystallographica B (24,1968-38,1982)","1970","26","","1686","1690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106240","8.014","","8.147","","12.761","","90","","90","","90","","833.166","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca (Cr O4) (H2 O)","","- Ca Cr H2 O5 -","- Ca Cr H2 O5 -","- Ca8 Cr8 H16 O40 -","8","1","","Bars, O.; le Marouille, J.Y.; Grandjean, D.","Etude de chromates, molybdates et tungstates hydrates. II. Etude structurale de Ca Cr O4 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3751","3755","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106329","18.233","","8.836","","5.188","","90","","90","","90","","835.822","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.776 Co0.224) Si O3","","- Co0.224 Mg0.776 O3 Si -","- Co0.224 Mg0.776 O3 Si -","- Co3.584 Mg12.416 O48 Si16 -","16","2","","Hawthorne, F.C.; Ito, J.","Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3","Acta Crystallographica B (24,1968-38,1982)","1978","34","","891","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106330","18.27","","8.833","","5.195","","90","","90","","90","","838.363","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Mg0.925 Mn0.075) Si O3","","- Mg0.925 Mn0.075 O3 Si -","- Mg0.925 Mn0.075 O3 Si -","- Mg14.8 Mn1.2 O48 Si16 -","16","2","","Hawthorne, F.C.; Ito, J.","Refinement of the crystal structures of (Mg0.776 Co0.224) Si O3 and (Mg0.925 Mn0.075) Si O3","Acta Crystallographica B (24,1968-38,1982)","1978","34","","891","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106390","8.804","","18.371","","10.924","","90","","90","","90","","1766.83","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 (B5 O8 (O H)2) (H2 O)","","- B5 H4 Na3 O11 -","- B5 H4 Na3 O11 -","- B40 H32 Na24 O88 -","8","1","","Menchetti, S.; Sabelli, C.","The crystal structure of synthetic sodium pentaborate monohydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3730","3733","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106457","18.46","","7.28","","6.712","","90","","90","","90","","902.018","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Li N H3 O H S O4","","- H4 Li N O5 S -","- H4 Li N O5 S -","- H32 Li8 N8 O40 S8 -","8","1","","Vilminot, S.; Anderson, M.R.; Brown, I.D.","The Crystal Structure of Lithium Hydroxylammonium Sulphate","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2628","2630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106557","8.39","","12.41","","13.32","","90","","90","","90","","1386.88","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ni (S2 N2 H)2","","- H2 N4 Ni S4 -","- H2 N4 Ni S4 -","- H16 N32 Ni8 S32 -","8","1","","Mayer, K.F.; Weiss, J.","Bis(dithionitrito-S-amido)nickel - A new (beta-) modification","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1999","2000","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106558","8.54","","10.263","","14.547","","90","","90","","90","","1274.99","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na2 (B4 O6 (O H)2)","","- B4 H2 Na2 O8 -","- B4 H2 Na2 O8 -","- B32 H16 Na16 O64 -","8","1","","Menchetti, S.; Sabelli, C.","The crystal structure of Na2 (B4 O6 (O H)2)","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1080","1084","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106566","18.204","","9.087","","5.278","","90","","90","","90","","873.085","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn Si O3","","- O3 Si Zn -","- O3 Si Zn -","- O48 Si16 Zn16 -","16","2","","Morimoto, N.; Akimoto, S.; Syono, Y.; Nakajima, Y.; Matsui, Y.","Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1041","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106567","18.201","","8.916","","5.209","","90","","90","","90","","845.317","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Zn Mg Si2 O6","","- Mg O6 Si2 Zn -","- Mg O6 Si2 Zn -","- Mg8 O48 Si16 Zn8 -","8","1","","Morimoto, N.; Nakajima, Y.; Syono, Y.; Akimoto, S.; Matsui, Y.","Crystal structures of pyroxene-type Zn Si O3 and Zn Mg Si2 O6","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1041","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106581","17.426","","16.062","","13.592","","90","","90","","90","","3804.35","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ca2 (U O2)3 (P O4)2 (O H)4 (H2 O)4","","- Ca2 H12 O22 P2 U3 -","- Ca2 O22 P2 U3 -","- Ca16 O176 P16 U24 -","8","1","","Piret, P.; Declercq, J.P.","Phurcalite","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1677","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106820","8.252","","13.105","","10.218","","90","","90","","90","","1105","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","H Cl O4 (H2 O)3","","- Cl H7 O7 -","- Cl H7 O7 -","- Cl8 H56 O56 -","8","1","","Almloef, J.","Hydrogen Bond Studies. L. The Crystal Structure of Perchloric Acid Trihydrate","Acta Crystallographica B (24,1968-38,1982)","1972","28","","481","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106855","11.195","","10.713","","11.179","","90","","90","","90","","1340.72","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca H As O4 (H2 O)3","","- As Ca H7 O7 -","- As Ca H7 O7 -","- As8 Ca8 H56 O56 -","8","1","","Catti, M.; Ferraris, G.","Hydrogen bonding in the crystalline state. Crystal structure of Ca H As O4 (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1973","29","","90","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106858","13.999","","8.363","","10.468","","90","","90","","90","","1225.53","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N S Sb F6","","- F6 N S Sb -","- F6 N S Sb -","- F48 N8 S8 Sb8 -","8","1","","Clegg, W.; Glemser, O.; Harms, K.; Hartmann, G.; Mews, R.; Noltemeyer, M.; Sheldrick, G. M.","Crystal Structures of Thionitrosyl Hexafluoroantimonate(V) and Thionitrosyl Undecafluorodiantimonate(V) at 293 K and of Thionitrosyl Undecafluorodiantimonate(V) at 121.5 K: The Effect of Thermal Motion on the Apparent NS Bond Length","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1981","37","3","548","552","10.1107/s0567740881003555","","","","","","","","","","","","","","","","","","","","","has coordinates","211061","2020-10-21","18:00:00",""
"2106897","6.492","","14.521","","10.17","","90","","90","","90","","958.729","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ca Se2 O5","","- Ca O5 Se2 -","- Ca O5 Se2 -","- Ca8 O40 Se16 -","8","1","","Delage, C.; Goursolle, M.; Carpy, A.","Structure du Diseleniate(IV) de Calcium","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1278","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106918","25.58","","22.832","","12.036","","90","","90","","90","","7029.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Os3 Cl2 (C O)10","","- C10 Cl2 O10 Os3 -","- C10 Cl2 O10 Os3 -","- C160 Cl32 O160 Os48 -","16","2","","Einstein, F.W.B.; Tyers, K.G.; Jones, T.J.","Structure of 1,1,1,1,2,2,2,3,3,3-Decacarbonyl-2,3;2,3-di-mue-chloro-tr angulo-triosmium","Acta Crystallographica B (24,1968-38,1982)","1982","38","","1272","1274","","","","","","","","","","","","","","","","","","","","","","has coordinates","163543","2020-10-21","18:00:00",""
"2107027","8.383","","8.418","","21.54","","90","","90","","90","","1520.04","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K (B5 O8)","","- B5 K O8 -","- B5 K O8 -","- B40 K8 O64 -","8","1","","Krogh-Moe, J.","The crystall structure of the high-temperature modification of potassium pentaborate","Acta Crystallographica B (24,1968-38,1982)","1972","28","","168","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107159","10.47","","18.704","","6.059","","90","","90","","90","","1186.54","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 H Si O4 (H2 O)2","","- H5 Na3 O6 Si -","- H5 Na3 O6 Si -","- H40 Na24 O48 Si8 -","8","1","","Schmid, R.; Felsche, J.; Huttner, G.","The Structure of Trisodium Hydrogensilicate Dihydrate","Acta Crystallographica B (24,1968-38,1982)","1979","35","","3024","3027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107160","10.38","","10.053","","11.414","","90","","90","","90","","1191.05","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Na3 H Si O4 (H2 O)2","","- H5 Na3 O6 Si -","- H5 Na3 O6 Si -","- H40 Na24 O48 Si8 -","8","1","","Schmid, R.L.; Szolnai, L.; Felsche, J.; Huttner, G.","The Structure of Trisodium Hydrogensilicate Dihydrate: High Temperature Form","Acta Crystallographica B (24,1968-38,1982)","1981","37","","789","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107210","8.78","","10.52","","19.69","","90","","90","","90","","1818.68","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(S C (N H2)2)2 Cl2","","- C2 H8 Cl2 N4 S2 -","- C2 H8 Cl2 N4 S2 -","- C16 H64 Cl16 N32 S16 -","8","1","","Villa, A.C.; Manfredotti, A.G.; Nardelli, M.; Tani, M.E.V.","The crystal structure of alpha,alpha'-dithio bis(formamidinium) dichloride","Acta Crystallographica B (24,1968-38,1982)","1972","28","","356","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","168427","2020-10-21","18:00:00",""
"2107269","8.0519","0.0001","23.4398","0.0003","32.8901","0.0005","90","","90","","90","","6207.51","0.15","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","1,2-bis(4-pyridyl)ethane lead iodide","","","- C7.47 H11.73 I3.2 N1.07 O1.07 Pb1.07 S1.07 -","- C7.46667 H11.7333 I3.2 N1.06667 O1.06667 Pb1.06667 S1.06667 -","- C112 H176 I48 N16 O16 Pb16 S16 -","15","1.875","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0454","0.0332","","","0.0602","0.0658","","","","","","1.051","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107378","7.583","","15.409","","18.789","","90","","90","","90","","2195.43","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tl4 Mo8 O26","","- Mo8 O26 Tl4 -","- Mo8 O26 Tl4 -","- Mo32 O104 Tl16 -","4","0.5","","Toledano, P.; Touboul, M.","Structure Cristalline du Tetramolybdate de Thallium(I), Tl2 Mo4 O13","Acta Crystallographica B (24,1968-38,1982)","1978","34","","3547","3551","","","","","","","","","","","","","","","","","","","","","","has coordinates","173341","2020-10-21","18:00:00",""
"2107384","18.938","","7.399","","18.88","","90","","90","","90","","2645.51","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cl2 (C F3) Se Cl2 Se (C F3) Cl2","","- C2 Cl6 F6 Se2 -","- C2 Cl6 F6 Se2 -","- C16 Cl48 F48 Se16 -","8","1","","Marsden, C.J.; Sheldrick, G.M.; Taylor, R.","Trifluoromethylseleniumtrichloride","Acta Crystallographica B (24,1968-38,1982)","1977","33","","139","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","173406","2020-10-21","18:00:00",""
"2107393","8.881","","14.547","","11.975","","90","","90","","90","","1547.07","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Rb2 U O2 F4 (H2 O)","","- F4 H2 O3 Rb2 U -","- F4 O3 Rb2 U -","- F32 O24 Rb16 U8 -","8","1","","Brusset, H.; Rubinstein-Auban, A.; Dao, N.Q.","Structure cristalline de Rb2 U O2 F4 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2617","2619","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107622","14.648","0.0009","12.4006","0.001","16.6062","0.001","90","","90","","90","","3016.4","0.4","296","2","296.15","","300000","16","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","BM5080","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1068","0.0621","","","0.1333","0.1504","","","","","","1.069","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107623","14.3847","0.0006","12.2888","0.0006","16.6029","0.0007","90","","90","","90","","2934.9","0.2","296","2","296.15","","700000","2","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.0883","0.0514","","","0.1171","0.1324","","","","","","1.04","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107624","14.1985","0.0009","12.0745","0.0009","16.5616","0.0011","90","","90","","90","","2839.3","0.3","296","2","296.15","","1670000","19","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1032","0.0631","","","0.1699","0.1927","","","","","","1.044","","","","has coordinates","183119","2020-10-21","18:00:00",""
"2107625","14.15","0.002","11.86","0.002","16.574","0.002","90","","90","","90","","2781.4","0.7","296","2","296.15","","2480000","12","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1605","0.0892","","","0.2134","0.2518","","","","","","1.063","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107626","14.138","0.003","11.686","0.003","16.583","0.003","90","","90","","90","","2739.8","1","296","2","296.15","","3170000","11","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1795","0.1053","","","0.2112","0.2482","","","","","","1.077","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2107627","14.14","0.005","11.319","0.005","16.6","0.006","90","","90","","90","","2656.8","1.8","296","2","296.15","","4310000","16","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Madsen, Solveig R.; Moggach, Stephen A.; Overgaard, Jacob; Brummerstedt Iversen, Bo","Anisotropic compressibility of the coordination polymer emim[Mn(btc)]","Acta Crystallographica Section B","2016","72","3","389","394","10.1107/S2052520616005515","","","0.71073","MoKα","","0.1345","0.1022","","","0.2756","0.2986","","","","","","1.289","","","","has coordinates,has Fobs","183119","2020-10-21","18:00:00",""
"2108002","7.8069","0.0016","13.987","0.003","32.185","0.006","90","","90","","90","","3514.4","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(3-chloro-2-methylphenyl)amino]benzoic acid) 3-methylpyridine solvate","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C160 H152 Cl8 N16 O16 -","8","1","","Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha","Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation","Acta Crystallographica Section B","2016","72","6","836","845","10.1107/S2052520616014128","","","0.71073","MoKα","","0.061","0.0397","","","0.0934","0.1077","","","","","","1.032","","","","has coordinates,has Fobs","188930","2020-10-21","18:00:00",""
"2108009","17.6492","0.0006","7.482","0.0003","9.0018","0.0004","90","","90","","90","","1188.7","0.08","","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H7 N2 O5 P -","- C H7 N2 O5 P -","- C8 H56 N16 O40 P8 -","8","1","","Kostansek, Edward C.; Busing, William R.","A single-crystal neutron-diffraction study of urea-phosphoric acid","Acta Crystallographyca B","1972","","","2454","2459","10.1107/S0567740872006272","","neutron","1.077","","","0.114","0.092","","","","","","","","","","","","","","has coordinates","211137","2020-10-21","18:00:00",""
"2108030","15.7522","0.0005","22.3326","0.0007","15.5213","0.0005","90","","90","","90","","5460.2","0.3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Br F3 I3 N -","- C22 H24 Br F3 I3 N -","- C176 H192 Br8 F24 I24 N8 -","8","1","XM5005","Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L.","1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis","Acta Crystallographica Section B","2017","73","2","","","10.1107/S2052520617000944","","","0.71073","MoKα","","0.0986","0.0834","","","0.1767","0.1827","","","","","","1.216","","","","has coordinates,has disorder,has Fobs","194251","2020-10-21","18:00:00",""
"2108125","16.1578","0.0011","16.5129","0.0009","21.4877","0.0013","90","","90","","90","","5733.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 2","","","- C26 H22 N2 O14 Zn2 -","- C26 H22 N2 O14 Zn2 -","- C208 H176 N16 O112 Zn16 -","8","1","","Huang, Xianyu; Chen, Daoliang; He, Mingrui; Li, Jianfeng; Huang, Jiawei; Li, Baolin","Crystal structure and luminescent properties of novel coordination polymers constructed with bifurandicarboxylic acid","Acta Crystallographica Section B","2017","73","4","715","721","10.1107/S2052520617003870","","","0.71073","MoKα","","0.0385","0.0276","","","0.0629","0.0682","","","","","","1.044","","","","has coordinates,has Fobs","209315","2020-10-21","18:00:00",""
"2108205","5.1174","0.0004","7.3666","0.0004","11.7174","0.001","90","","90","","90","","441.72","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.2","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108206","4.9209","0.0004","7.1818","0.0005","11.5243","0.001","90","","90","","90","","407.28","0.06","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.089","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108207","4.8571","0.0004","7.1033","0.0005","11.4462","0.001","90","","90","","90","","394.91","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108208","4.7757","0.0004","6.993","0.0005","11.3384","0.001","90","","90","","90","","378.66","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.009","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108209","4.7321","0.0004","6.9298","0.0005","11.2798","0.0011","90","","90","","90","","369.89","0.05","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Glycolide","","- C4 H4 O4 -","- C4 H4 O4 -","- C16 H16 O16 -","4","0.5","","Hutchison, Ian B.; Bull, Craig L.; Marshall, William G.; Parsons, Simon; Urquhart, Andrew J.; Oswald, Iain D. H.","Compression of glycolide-h~4~ to 6GPa","Acta Crystallographica Section B","2017","73","6","1151","1157","10.1107/S2052520617015657","powder diffraction","","","","","","","","","","","","","1.056","","","","","","","has coordinates","205698","2020-10-21","18:00:00",""
"2108210","9.507","0.002","7.9958","0.0017","43.262","0.009","90","","90","","90","","3288.6","1.2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C144 H128 Cl8 N24 O16 -","8","1","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0539","0.0384","","","0.0914","0.106","","","","","","1.123","","","","has coordinates,has Fobs","206006","2020-10-21","18:00:00",""
"2108270","10.1791","0.0018","8.7625","0.0015","22.946","0.004","90","","90","","90","","2046.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N -","- C12 H12 Br N -","- C96 H96 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.1031","0.049","","","0.112","0.1335","","","","","","1.018","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108272","10.8001","0.0009","8.8083","0.0007","21.0408","0.0017","90","","90","","90","","2001.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C96 H96 Cl8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0548","0.0399","","","0.1013","0.1089","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108279","9.6268","0.0012","19.292","0.002","24.606","0.003","90","","90","","90","","4569.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N15 O18 -","- C13 H11 N15 O18 -","- C104 H88 N120 O144 -","8","1","LO5028","Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu","High-density HNIW/TNT cocrystal synthesized using a green chemical method","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008442","","","0.71073","MoKα","","0.0429","0.0372","","","0.099","0.1022","","","","","","1.083","","","","has coordinates,has Fobs","209232","2020-10-21","18:00:00",""
"2108281","13.8822","0.0017","11.6188","0.0014","22.115","0.003","90","","90","","90","","3567","0.8","110","0.2","110","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","","0.71073","MoKα","","0.0308","0.0198","","","0.0402","0.0435","","","","","","1.008","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108282","13.8732","0.0018","11.6316","0.0015","22.124","0.003","90","","90","","90","","3570.1","0.8","125","0.2","125","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0526","0.0419","","","0.0812","0.0837","","","","","","1.263","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108284","14.0011","0.0019","11.6244","0.0016","21.893","0.003","90","","90","","90","","3563.2","0.8","200","0.2","200","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0385","0.0224","","","0.0425","0.0471","","","","","","1.018","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108295","7.0488","0.0015","12.15","0.003","28.649","0.006","90","","90","","90","","2453.6","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.1173","0.0414","","","0.084","0.1083","","","","","","0.96","","","","has coordinates","212030","2020-10-21","18:00:00",""
"2108335","14.5448","0.0002","6.5214","0.0004","23.8246","0.0006","90","","90","","90","","2259.82","0.15","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","1.54184","Cukα","","0.0479","0.0328","","","0.0707","0.0751","","","","1.83","1.83","1.7","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108478","9.221","0.002","9.847","0.002","34.947","0.006","90","","90","","90","","3173.2","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","","Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti","Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions","Acta Crystallographica Section B","2019","75","5","","","10.1107/S2052520619009156","","","0.71073","MoKα","","0.1394","0.0832","","","0.1754","0.2187","","","","","","1.101","","","","has coordinates","218153","2020-10-21","18:00:00",""
"2108564","11.984","0.003","9.537","0.002","26.808","0.007","90","","90","","90","","3063.9","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 F2 N2 O -","- C18 H14 F2 N2 O -","- C144 H112 F16 N16 O8 -","8","1","","Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Macías, Mario A.; Portilla, Jaime","Intermolecular interaction energies and molecular conformations in <i>N</i>-substituted 4-aryl-2-methylimidazoles with promising <i>in vitro</i> antifungal activity","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013271","","","0.71073","MoKα","","0.1282","0.0623","","","0.1498","0.183","","","","","","1.05","","","","has coordinates,has Fobs","242979","2020-10-21","18:00:00",""
"2108616","17.3785","0.0009","15.9864","0.0008","13.5477","0.001","90","","90","","90","","3763.8","0.4","293","5","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ca2 H14 O23 P2 U3 -","- Ca2 H14 O23 P2 U3 -","- Ca16 H112 O184 P16 U24 -","8","1","","Plášil, Jakub; Kiefer, Boris; Ghazisaeed, Seyedat; Philippo, Simon","Hydrogen bonding in the crystal structure of phurcalite, Ca~2~[(UO~2~)~3~O~2~(PO~4~)~2~]·7H~2~O: single-crystal X-ray study and TORQUE calculations","Acta Crystallographica Section B","2020","76","3","","","10.1107/S2052520620005739","","x-ray","0.71073","MoKα","","0.0803","0.042","","","0.0647","0.0742","","","","1.31","1.31","1.22","","","","has coordinates,has Fobs","252370","2020-10-21","18:00:00",""
"2108638","16.643","0.003","6.1042","0.001","35.217","0.007","90","","90","","90","","3577.8","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.1309","0.0901","","","","0.2574","","","","","","1.144","","","","has coordinates,has disorder,has Fobs","254276","2020-10-21","18:00:00",""
"2108644","10.3744","0.0014","16.379","0.002","19.851","0.003","90","","90","","90","","3373.1","0.8","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman","Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies","Acta Crystallographica Section B","2020","76","4","","","10.1107/S2052520620006873","","","0.71073","MoKα","","0.0497","0.0359","","","","0.0891","","","","","","1.017","","","","has coordinates,has Fobs","254276","2020-10-21","18:00:00",""
"2109045","17.4279","0.0004","15.2522","0.0004","31.0253","0.0007","90","","90","","90","","8247","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H30 N2 Se -","- C23 H30 N2 Se -","- C368 H480 N32 Se16 -","16","2","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0517","0.0361","","","0.0721","0.0777","","","","","","1.027","","","","has coordinates,has Fobs","277574","2022-09-02","02:02:57",""
"2200002","18.564","0.003","10.6834","0.0017","28.51","0.004","90","","90","","90","","5654.3","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl- 8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,5-d]pyrimidin-4(3H)-one","","- C28 H23 Cl4 N3 O2 S -","- C28 H23 Cl4 N3 O2 S -","- C224 H184 Cl32 N24 O16 S8 -","8","1","AC6207","Liu, Jian-Chao; He, Hong-Wu; Ding, Ming-Wu","2-(4-Chloro-3-methylphenoxy)-3-(4-chlorophenyl)-5-methyl-8,9,10,11-tetrahydro-1-benzothieno[2',3':2,3]pyrido[4,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","Acta Crystallographica Section E","2005","61","11","o3686","o3687","10.1107/S1600536805032381","","","0.71073","MoKα","","0.1142","0.087","","","0.195","0.2112","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200040","7.2926","0.0002","9.3642","0.0003","13.1208","0.0005","90","","90","","90","","896.01","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Thiazolidine-2,4-dione","","- C3 H3 N O2 S -","- C3 H3 N O2 S -","- C24 H24 N8 O16 S8 -","8","1","CF6032","Lynch, Daniel E.; McClenaghan, Ian; Light, Mark E.","Redetermination of 1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2001","57","1","o79","o80","10.1107/S1600536800020717","","","0.71073","MoKα","","0.035","0.031","","","","0.083","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","194444","2020-10-21","18:00:00",""
"2200048","10.796","0.0005","18.1687","0.0008","20.1886","0.001","90","","90","","90","","3960","0.3","200","3","200","3","","","","","","","","3","P b c a","-P 2ac 2ab","61","P2 I5 GaI4","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","","- Ga I9 P2 -","- Ga I9 P2 -","- Ga8 I72 P16 -","8","1","NA6005","Aubauer, Christoph; Klapötke, Thomas M.; Mayer, Peter","1,1,1,2,2-Pentaiododiphosphanium tetraiodogallate(III)","Acta Crystallographica Section E","2001","57","1","i1","i2","10.1107/S1600536800018419","","","0.71073","MoKα","","0.036","0.027","","","","0.076","","","","","","0.963","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200055","21.825","0.003","12.384","0.001","8.048","0.001","90","","90","","90","","2175.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethylenediammonium phthalate","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C80 H112 N16 O32 -","8","1","NA6013","Edwards, Selvin H.; Kahwa, Ishenkumba A.; Mague, Joel T.","Ethylenediammonium phthalate","Acta Crystallographica Section E","2001","57","1","o20","o21","10.1107/S1600536800018420","","","0.71073","MoKα","","0.108","0.039","","","","0.108","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200080","10.148","0.002","14.251","0.003","18.103","0.004","90","","90","","90","","2618","1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","","- C15 H13 N3 S -","- C15 H13 N3 S -","- C120 H104 N24 S8 -","8","1","OB6015","Lynch, Daniel E.; McClenaghan, Ian","(<i>E</i>)-1-(2-Thienyl)ethanone 8-quinolylhydrozone","Acta Crystallographica Section E","2001","57","1","o52","o53","10.1107/S1600536800019607","","","0.71073","MoKα","","0.15","0.061","","","","0.17","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200081","12.721","0.003","7.8961","0.0016","16.617","0.003","90","","90","","90","","1669.1","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Chloro-4-methylquinoline","","- C10 H8 Cl N -","- C10 H8 Cl N -","- C80 H64 Cl8 N8 -","8","1","OB6016","Lynch, Daniel E.; McClenaghan, Ian","2-Chloro-4-methylquinoline","Acta Crystallographica Section E","2001","57","1","o54","o55","10.1107/S1600536800019590","","","0.71073","MoKα","","0.06","0.043","","","","0.115","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200102","13.189","0.003","8.577","0.002","20.195","0.004","90","","90","","90","","2284.5","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-2-methylthio-6-(piperidin-1-yl)pyrimidine","","- C10 H14 Cl N3 S -","- C10 H14 Cl N3 S -","- C80 H112 Cl8 N24 S8 -","8","1","BT6012","Lynch, Daniel E.; McClenaghan, Ian","4-Chloro-2-methylthio-6-(1-piperidyl)pyrimidine","Acta Crystallographica Section E","2001","57","3","o200","o201","10.1107/S1600536801001982","","","0.71073","MoKα","","0.0525","0.0412","","","","0.1165","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200108","7.566","0.016","7.39","0.02","14.04","0.03","90","","90","","90","","785","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H4 Mo2 N2 O6 -","- C4 H4 Mo2 N2 O6 -","- C16 H16 Mo8 N8 O24 -","4","0.5","BT6019","Liang, Yucang; Hong, Maochun; Cao, Rong; Sun, Daofeng; Weng, Jiabao","Polymeric tri-μ-oxo(pyrazine)molybdenum(VI)","Acta Crystallographica Section E","2001","57","4","m159","m161","10.1107/S160053680100441X","","","0.71073","MoKα","","0.0391","0.0345","","","","0.0856","","","","","","1.238","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2200148","8.6209","0.0002","13.9266","0.0004","16.4518","0.0006","90","","90","","90","","1975.2","0.1","200","1","200","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1H,3H-furano[3,4-c]- isoindol-3-one","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","CI6010","Tam, William; Tranmer, Geoffrey K.; Lough, Alan J.","6,9-Methano-4-methyl-3a,4,5a,6,9,10-hexahydro-5-oxa-1<i>H</i>,3<i>H</i>-furano[3,4-<i>c</i>]isoindol-3-one","Acta Crystallographica Section E","2001","57","3","o269","o270","10.1107/S1600536801003270","","","0.71073","MoKα","","0.06","0.043","","","","0.112","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200152","13.4255","0.0003","21.1335","0.0006","28.6552","0.0008","90","","90","","90","","8130.3","0.4","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(Benzylamine-N)(η^5^-cyclopentadienyl)bis(triphenylphosphine-P)ruthenium(II) tetrafluoroborate","","- C48 H44 B F4 N P2 Ru -","- C48 H44 B F4 N P2 Ru -","- C384 H352 B8 F32 N8 P16 Ru8 -","8","1","CI6016","Cabeza, Javier A.; del Río, Ignacio; Navarro, M. Elena; García-Granda, Santiago","(Benzylamine-<i>N</i>)(η^5^-cyclopentadienyl)bis(triphenylphosphine-<i>P</i>)ruthenium(II) tetrafluoroborate","Acta Crystallographica Section E","2001","57","4","m162","m163","10.1107/S1600536801004469","","","1.54179","CuKα","","0.11","0.047","","","","0.133","","","","","","0.9","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200153","34.115","0.006","10.4377","0.0017","7.484","0.003","90","","90","","90","","2664.9","1.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 N2 O S -","- C15 H14 N2 O S -","- C120 H112 N16 O8 S8 -","8","1","CI6018","Scammells, Peter J.; Tranberg, C. Elisabet; Tiekink, Edward R. T.","6,7-Dimethyl-5-phenyl-1<i>H</i>-thieno[2,3-<i>e</i>][1,4]diazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2001","57","4","o344","o345","10.1107/S1600536801004585","","","0.7107","MoKα","","0.08","0.045","","","","0.152","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200159","9.0561","0.0004","11.533","0.0005","28.0118","0.0013","90","","90","","90","","2925.7","0.2","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4SR,6SR)-6-(2-Phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6H)-one","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C136 H136 N8 O16 S8 -","8","1","CV6005","Schlummer, Björn; Massa, Werner; Bach, Thorsten","A new heterocylic ring system in (4<i>SR</i>,6<i>SR</i>)-6-(2-phenylethyl)-4-phenyl-1,4,3-oxathiazin-2(6<i>H</i>)-one","Acta Crystallographica Section E","2001","57","3","o252","o253","10.1107/S160053680100304X","","","1.54178","CuKα","","0.0518","0.0385","","","","0.1055","","","","","","1.047","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200163","19.028","0.003","19.166","0.003","9.4466","0.0005","90","","90","","90","","3445.1","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)- benzoate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","1","CV6009","Kubo, Kanji; Mori, Akira","Ethyl 4-(2,3,5,6-tetrahydro-3,3-dimethyl-5,6-dioxo-1,2-cycloheptapyrazol-2-yl)benzoate","Acta Crystallographica Section E","2001","57","4","o328","o329","10.1107/S1600536801004445","","","0.71073","MoKα","","0.285","0.0544","","","","0.1581","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200169","14.7301","0.0002","12.0254","0.0002","23.796","0.0001","90","","90","","90","","4215.11","0.09","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-N-butyl-N-ethyldithiocarbamato-S:S')bis[(N-butyl-N- ethyldithiocarbamato)zinc(II)]","","- C28 H56 N4 S8 Zn2 -","- C28 H56 N4 S8 Zn2 -","- C112 H224 N16 S32 Zn8 -","4","0.5","NA6028","Baba, Ibrahim; Farina, Yang; Kassim, Karimah; Othman, A. Hamid; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ng, Seik Weng","Bis(μ-<i>N</i>-butyl-<i>N</i>-ethyldithiocarbamato-<i>S</i>:<i>S</i>')bis[(<i>N</i>-butyl-<i>N</i>-ethyldithiocarbamato)zinc(II)]","Acta Crystallographica Section E","2001","57","2","m55","m56","10.1107/S1600536800020808","","","0.71073","MoKα","","0.083","0.047","","","","0.144","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200179","10.7112","0.0003","10.8297","0.0003","23.6321","0.0005","90","","90","","90","","2741.3","0.12","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-(1H-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","NA6042","Quesada, Antonio; Cannon, Debbie; Quiroga, Jairo; .; Insuasty, Braulio; Abonia, Rodrigo; Albornoz, Andrea; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline","Acta Crystallographica Section E","2001","57","2","o178","o179","10.1107/S1600536801001672","","","0.71073","MoKα","","0.0667","0.0446","","","","0.1115","","","","","","1.272","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200223","9.3725","0.0002","10.7012","0.0002","23.0919","0.0004","90","","90","","90","","2316.05","0.08","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-3-methoxy-3-methylsulfanylisothiochroman-4-one oxime","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","TK6001","Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain","(<i>E</i>)-3-Methoxy-3-methylsulfanylisothiochroman-4-one oxime","Acta Crystallographica Section E","2001","57","3","o256","o257","10.1107/S1600536801002707","","","0.71073","MoKα","","","0.036","","","","0.043","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200228","15.428","0.001","9.346","0.002","22.506","0.005","90","","90","","90","","3245.1","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate","","- C18 H15 Cl N2 O3 -","- C18 H15 Cl N2 O3 -","- C144 H120 Cl8 N16 O24 -","8","1","TK6008","Višnjevac, Aleksandar; Kojić-Prodić, Biserka","Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1<i>H</i>-1,4-benzodiazepine-3-carboxylate","Acta Crystallographica Section E","2001","57","4","o356","o357","10.1107/S1600536801004093","","","0.7107","MoKα","","0.392","0.075","","","","0.214","","","","","","0.835","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200296","16.56","0.005","20.69","0.01","9.453","0.002","90","","90","","90","","3239","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C136 H176 O24 S8 -","8","1","CI6031","Ward, A. David; Ward, Virginia R.; Tiekink, Edward R. T.","3,5,5-Trimethyl-2-[2-(phenylsulfonyl)ethyl]-2-cyclohexen-1-one","Acta Crystallographica Section E","2001","57","6","o526","o527","10.1107/S1600536801008248","","","0.71069","MoKα","","0.119","0.04","","","","0.129","","","","","","1.01","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200319","11.914","0.002","12.399","0.005","26.133","0.005","90","","90","","90","","3860.4","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Cyclopentyl-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-ylamine","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C184 H176 N32 O8 -","8","1","NA6079","Zrinka Banić Tomišić; Andreja Čempuh; Ivica Malnar","7-Cyclopentyl-5-(4-phenoxyphenyl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine-4-ylamine, an lck tyrosine kinase inhibitor","Acta Crystallographica Section E","2001","57","6","o511","o513","10.1107/S1600536801007917","","","0.71069","MoKα","","0.4675","0.0614","","","","0.136","","","","","","0.841","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200333","14.016","0.0007","38.4862","0.0012","17.2175","0.0005","90","","90","","90","","9287.5","0.6","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[(μ-1,3-diphenylpropane-1,3-dionato-O,O':O')dimethylthallium]","","- C34 H34 O4 Tl2 -","- C34 H34 O4 Tl2 -","- C408 H408 O48 Tl24 -","12","1.5","OM6014","Britton, Doyle","Bis[(μ-1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>':<i>O</i>')dimethylthallium], [(CH~3~)~2~Tl(bzbz)]~2~","Acta Crystallographica Section E","2001","57","5","m176","m178","10.1107/S1600536801005311","","","0.71073","MoKα","","0.057","0.046","","","","0.107","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200376","6.719","0.001","18.024","0.001","10.826","0.002","90","","90","","90","","1311.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Potassium Silver Thiocyanate","","","- C2 Ag K N2 S2 -","- C2 Ag K N2 S2 -","- C16 Ag8 K8 N16 S16 -","8","1","BR6023","Valkonen, Jussi; Günes, Minna","Potassium silver thiocyanate","Acta Crystallographica Section E","2001","57","7","i52","i54","10.1107/S1600536801009679","","","0.71073","MoKα","","0.0924","0.0362","","","","0.0953","","","","","","1.002","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200380","7.9362","0.0003","8.522","0.0003","9.1762","0.0004","90","","90","","90","","620.61","0.04","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H4 Li O4 -","- B H4 Li O4 -","- B8 H32 Li8 O32 -","8","1","","Fronczek, Frank R.; Aubry, David A.; Stanley, George G.","Refinement of lithium tetrahydroxoborate with low-temperature CCD data","Acta Crystallographica, Section E","2001","57","","i62","i63","10.1107/S1600536801011163","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:33",""
"2200383","9.669","0.005","17.063","0.009","17.875","0.01","90","","90","","90","","2949","3","298","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 1-phenyl-3-sulfanyl-5-(4H-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","","- C15 H15 N5 O2 S -","- C15 H15 N5 O2 S -","- C120 H120 N40 O16 S8 -","8","1","BT6051","Wei-Qiang Chen; Miao Du; Lin-Hong Weng; Gui-Yu Jin","Ethyl 1-phenyl-3-sulfanyl-5-(4<i>H</i>-1,2,4-triazol-4-yl)pyrazole-4-carboxylate","Acta Crystallographica Section E","2001","57","7","o619","o621","10.1107/S1600536801010091","","","0.71073","MoKα","","0.0611","0.038","","","","0.1106","","","","","","1.007","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200413","9.7545","0.0006","12.0427","0.0009","13.5242","0.0018","90","","90","","90","","1588.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-amino-4H-pyrido[2,3-e]-1,2,4-thiadiazine 1,1-dioxide","","- C6 H6 N4 O2 S -","- C6 H6 N4 O2 S -","- C48 H48 N32 O16 S8 -","8","1","CF6076","Dupont, Léon; De Tullio, Pascal; Boverie, Stéphane; Pirotte, Bernard","3-Amino-4<i>H</i>-pyrido[2,3-<i>e</i>]-1,2,4-thiadiazine 1,1-dioxide","Acta Crystallographica Section E","2001","57","7","o602","o603","10.1107/S1600536801009904","","","1.5418","CuKα","","0.0459","0.0316","","","","0.0895","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200415","7.323","0.003","26.98","0.004","6.897","0.004","90","","90","","90","","1362.7","1","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","0.5","CF6080","Cohen, Peter A.; Robinson, Paul D.","2,5-Diphenyl-3,6-dihydroxy-1,4-benzoquinone (polyporic acid)","Acta Crystallographica Section E","2001","57","7","o596","o598","10.1107/S160053680100914X","","","0.71069","MoKα","","0.068","0.035","","","","0.11","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200437","10.455","0.003","13.83","0.004","28.548","0.01","90","","90","","90","","4128","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","cis-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","","- C21 H20 Cl2 N4 Ni O -","- C21 H20 Cl2 N4 Ni O -","- C168 H160 Cl16 N32 Ni8 O8 -","8","1","CI6029","Fontaine, Frédéric-Georges","<i>cis</i>-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate","Acta Crystallographica Section E","2001","57","7","m270","m271","10.1107/S1600536801007838","","","1.54056","CuKα","","0.088","0.047","","0.112","","0.101","","","0.79","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200441","10.065","0.002","23.178","0.004","9.077","0.003","90","","90","","90","","2117.5","0.9","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Cl N4 -","- C11 H9 Cl N4 -","- C88 H72 Cl8 N32 -","8","1","CI6034","Pifferi, Augusto; Camalli, Mercedes; Silvestri, Romano; De Martino, Gabriella; Massa, Silvio; Artico, Marino","1-Amino-6-chloro-2-(1<i>H</i>-pyrrol-2-yl)benzimidazole (RS 1350)","Acta Crystallographica Section E","2001","57","9","o819","o821","10.1107/S1600536801010856","","","0.71069","MoKα","","0.042","0.042","","0.07","","0.07","","","0.97","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200463","9.1308","0.0011","14.0077","0.0019","19.012","0.003","90","","90","","90","","2431.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N6 P2 Pd -","- C18 H24 Cl2 N6 P2 Pd -","- C72 H96 Cl8 N24 P8 Pd4 -","4","0.5","CV6031","Lawrence, Simon E.; Kelly, Maureen; Ní Dhubhghaill, Orla M.","Dichloro-<i>trans</i>-bis[tris(2-cyanoethyl)phosphine]palladium(II)","Acta Crystallographica Section E","2001","57","7","m272","m273","10.1107/S1600536801009278","","","0.71069","MoKα","","0.0385","0.0266","","","","0.0762","","","","","","1.188","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200471","12.978","0.002","16.518","0.002","23.95","0.004","90","","90","","90","","5134.2","1.3","213.2","","213.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cl2 Cu N6 O8 -","- C20 H34 Cl2 Cu N6 O8 -","- C160 H272 Cl16 Cu8 N48 O64 -","8","1","CV6040","Daly, Robert I.; Hockless, David C. R.; Taylor, Max R.; Martin, Lisandra L.","{2-(4,7-Dimethyl-1,4,7-triazacyclonon-1-yl)-<i>N</i>-methyl-<i>N</i>-[(1-methylbenzimidazol-2-yl)methyl]ethylamine}copper(II) bis(perchlorate)","Acta Crystallographica Section E","2001","57","8","m355","m356","10.1107/S1600536801011540","","","1.5418","CuKα","","","0.054","","","","0.165","","","","","","1.377","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200485","14.4988","0.0002","17.1659","0.0001","18.1536","0.0005","90","","90","","90","","4518.16","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","","- C32 H42 O20 S4 Zn4 -","- C32 H42 O20 S4 Zn4 -","- C128 H168 O80 S16 Zn16 -","4","0.5","NA6080","Wang, Ruihu; Hong, Maochun; Liang, Yucang; Cao, Rong","Tris(μ-1,4-benzenedicarboxylate)tetrakis(dimethyl sulfoxide)di-μ~3~-hydroxo-tetrazinc dihydrate","Acta Crystallographica Section E","2001","57","7","m277","m279","10.1107/S1600536801009175","","","0.71073","MoKα","","0.0997","0.052","","","","0.1275","","","","","","1.051","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2200494","13.259","0.005","14.383","0.004","15.635","0.004","90","","90","","90","","2981.7","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl4 O2 -","- C14 H14 Cl4 O2 -","- C112 H112 Cl32 O16 -","8","1","NA6090","Blake, Alexander J.; Dietel, Anja; Li, Wan-Sheung; Thomas, Neil R.; Marr, Andrew C.","1,2,3,4-Tetrachloro-11,11-dimethoxy-1,4,5,6,9,10-hexahydro-<i>endo</i>-1,4-<i>exo</i>-6,9-dimethanonaphthalene","Acta Crystallographica Section E","2001","57","8","o790","o791","10.1107/S1600536801011564","","","0.71073","MoKα","","0.044","0.035","","","","0.082","","","","","","1.19","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200548","16.181","0.002","11.625","0.002","7.938","0.003","90","","90","","90","","1493.2","0.6","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C64 H64 O32 -","8","1","WN6027","Okabe, Nobuo; Kyoyama, Hasuyo","3,4-Dihydroxyphenylacetic acid","Acta Crystallographica Section E","2001","57","8","o715","o716","10.1107/S1600536801011151","","","0.7107","MoKα","","","0.0511","","","","0.2202","","","","","","0.842","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200561","9.577","0.003","16.039","0.003","16.127","0.002","90","","90","","90","","2477.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-methyl-2-methyl-3-furanthiocarboxanilyd","","- C13 H13 N O S -","- C13 H13 N O S -","- C104 H104 N8 O8 S8 -","8","1","WN6043","Popović, Jasminka; Mrvoš-Sermek, Draginja; Tralić-Kulenović, Vesna","<i>N</i>,2-Dimethyl-3-furanthiocarboxanilide","Acta Crystallographica Section E","2001","57","9","o893","o894","10.1107/S1600536801013472","","","0.71073","MoKα","","0.1336","0.0531","","","","0.1667","","","","","","0.965","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200566","22.97","0.006","20.005","0.004","8.048","0.002","90","","90","","90","","3698.2","1.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Dichloro-bis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate","","- C38 H34 Cl6 Ni P2 -","- C38 H34 Cl6 Ni P2 -","- C152 H136 Cl24 Ni4 P8 -","4","0.5","YA6032","Batsanov, Andrei S.; Howard, Judith A. K.","<i>trans</i>-Dichlorobis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate: redetermination at 120K","Acta Crystallographica Section E","2001","57","7","m308","m309","10.1107/S1600536801008741","","","0.71073","MoKα","","0.04","0.029","","","","0.074","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200596","18.3417","0.0018","18.3164","0.0018","23.547","0.002","90","","90","","90","","7910.7","1.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Bis(diphenylphosphino)methane-2κ^2^P,P']-μ-carbonyl-1:2κC-carbonyl-1κC- [1(η^5^)-cyclopentadienyl](μ-phenylvinylidene-1:2κ^2^C)manganeseplatinum- (Mn—Pt) diethyl ether solvate","","- C44 H43 Mn O3 P2 Pt -","- C44 H43 Mn O3 P2 Pt -","- C352 H344 Mn8 O24 P16 Pt8 -","8","1","BT6085","Dolgushin, Fedor M.; Deykhina, Nina A.; Pogrebnyakov, Dmitry A.; Antonova, Alla B.","The binuclear μ-phenylvinylidene complex (η^5^-C~5~H~5~)(CO)(μ-CO)MnPt(μ-C=CHPh)(η^2^-Ph~2~PCH~2~PPh~2~)·Et~2~O","Acta Crystallographica Section E","2001","57","11","m541","m542","10.1107/S1600536801017500","","","0.71073","MoKα","","0.092","0.054","","","","0.129","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200635","14.191","0.002","10.655","0.001","15.917","0.002","90","","90","","90","","2406.7","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dichlorobis(sarcosinato)zinc(II)","Dichlorobis(sarcosinato)zinc(II)","","- C6 H14 Cl2 N2 O4 Zn -","- C6 H14 Cl2 N2 O4 Zn -","- C48 H112 Cl16 N16 O32 Zn8 -","8","1","CI6057","Subha Nandhini, M.; Krishnakumar, R. V.; Natarajan, S.","Dichlorobis(sarcosinato)zinc(II)","Acta Crystallographica Section E","2001","57","10","m435","m437","10.1107/S1600536801014775","","","1.5418","CuKα","","0.031","0.028","","","","0.075","","","","","","1.18","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200647","8.9118","0.0018","9.4953","0.0019","23.628","0.005","90","","90","","90","","1999.4","0.7","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cinnamonylaceton","6-phenyl-hex-5-ene-2,3-dione","","- C12 H12 O2 -","- C12 H12 O2 -","- C96 H96 O16 -","8","1","CI6070","Arrieta, Antonio F.; Arvid Mostad","Orthorhombic form of 6-phenylhex-5-ene-2,4-dione","Acta Crystallographica Section E","2001","57","12","o1198","o1199","10.1107/S1600536801018669","","","0.71073","MoKα","","0.051","0.041","","","","0.137","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200655","7.266","0.002","13.925","0.003","30.327","0.006","90","","90","","90","","3068.5","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[dicyanamidobis(3-hydroxypyridine-N)copper(II)]-μ-dicyanamido]","","- C14 H10 Cu N8 O2 -","- C14 H10 Cu N8 O2 -","- C112 H80 Cu8 N64 O16 -","8","1","CV6054","Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","<i>catena</i>-Poly[[dicyanamidobis(3-hydroxypyridine-<i>N</i>)copper(II)]-μ-dicyanamido]","Acta Crystallographica Section E","2001","57","10","m421","m423","10.1107/S160053680101460X","","","1.5418","CuKα","","0.0543","0.0407","","","","0.1198","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200662","11.918","0.0002","15.97","0.0002","33.193","0.0006","90","","90","","90","","6317.64","0.17","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","","- C30 H28 Co N6 O4 S2 -","- C30 H28 Co N6 O4 S2 -","- C240 H224 Co8 N48 O32 S16 -","8","1","CV6061","Goutam Kumar Patra; Israel Goldberg","Tetrakis(4-acetylpyridine)diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2001","57","10","m483","m484","10.1107/S1600536801015446","","","0.71073","MoKα","","0.1039","0.0456","","","","0.1147","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200669","8.9295","0.0018","14.792","0.003","25.812","0.005","90","","90","","90","","3409.4","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 Cl P Rh -","- C14 H27 Cl P Rh -","- C112 H216 Cl8 P8 Rh8 -","8","1","CV6068","Wendt Ola F.","Chloro(methyl)(η^5^-pentamethylcyclopentadienyl)(trimethylphosphine)rhodium(III)","Acta Crystallographica Section E","2001","57","11","m517","m518","10.1107/S1600536801016798","","","0.71073","MoKα","","0.1201","0.0537","","","","0.1652","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200684","12.7109","0.0001","14.1115","0.0002","27.0317","0.0003","90","","90","","90","","4848.67","0.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","mer,trans-{2,6-bis[(dimethylamino)methyl]pyridine}dichloropyridineruthenium(II) toluene solvate","","- C23 H32 Cl2 N4 Ru -","- C23 H32 Cl2 N4 Ru -","- C184 H256 Cl16 N32 Ru8 -","8","1","NA6084","Back, Stephan; Rheinwald, Gerd; del Río, Ignacio; van Koten, Gerard; Lang, Heinrich","[<i>mer,trans</i>-(NN'N)RuCl~2~(NC~5~H~5~)]·C~7~H~8~ {NN'N = 2,6-bis-[(dimethylamino)methyl]pyridine}","Acta Crystallographica Section E","2001","57","10","m444","m445","10.1107/S1600536801014878","","","0.71073","MoKα","","0.069","0.0515","","","","0.1171","","","","","","1.191","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200699","13.5783","0.0003","15.2608","0.0003","17.5449","0.0004","90","","90","","90","","3635.58","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N10 Ni O -","- C15 H18 N10 Ni O -","- C120 H144 N80 Ni8 O8 -","8","1","NA6105","De-Zhong Niu; Bai-Wang Sun; Zai-Sheng Lu; Zhe-Ming Wang; Chun-Hua Yan","Diazido{<i>N,N</i>'-bis[2-(2-pyridyl)ethylene]-1,3-diaminopropane}nickel(II) monohydrate","Acta Crystallographica Section E","2001","57","12","m589","m590","10.1107/S1600536801019663","","","0.71073","MoKα","","0.0719","0.0376","","","","0.1003","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200740","7.7561","0.0001","10.8931","0.0002","34.012","0.0006","90","","90","","90","","2873.6","0.08","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Propenyl 4-ferrocenyl-4-oxobutanoate","","- C17 H18 Fe O3 -","- C17 H18 Fe O3 -","- C136 H144 Fe8 O24 -","8","1","OM6053","Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.","2-Propenyl 4-ferrocenyl-4-oxobutanoate","Acta Crystallographica Section E","2001","57","10","m426","m427","10.1107/S1600536801014659","","","0.71073","MoKα","","0.073","0.039","","","","0.091","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200766","7.6427","0.0014","11.035","0.002","37.95","0.005","90","","90","","90","","3200.6","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2SR,4RS)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","","- C14 H21 I O2 S -","- C14 H21 I O2 S -","- C112 H168 I8 O16 S8 -","8","1","WN6046","Guido J. Reiß; Marek Masnyk","(2<i>SR</i>,4<i>RS</i>)-(4-Iodo-5,5-dimethyl-2-hexylsulfonyl)benzene","Acta Crystallographica Section E","2001","57","10","o959","o960","10.1107/S1600536801015069","","","0.71073","MoKα","","0.0722","0.0374","","","","0.0686","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200806","12.1298","0.0017","9.5303","0.0013","17.144","0.002","90","","90","","90","","1981.9","0.5","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis-Tris","","","- C8 H19 N O5 -","- C8 H19 N O5 -","- C64 H152 N8 O40 -","8","1","YA6068","Nicholson, Kirsten N.; Twamley, Brendan; Wood, Scott","[Bis(2-hydroxyethyl)amino]tris(hydroxymethyl)methane (Bis‒Tris), an important complexing agent","Acta Crystallographica Section E","2001","57","11","o1133","o1135","10.1107/S1600536801017974","","","0.71073","MoKα","","0.043","0.034","","","","0.084","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200810","13.1374","0.0003","13.2089","0.0003","19.7506","0.0004","90","","90","","90","","3427.33","0.13","291","1","291","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","YA6074","Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Kleb, Dirk-Christian; Preut, Hans; Bleckmann, Paul","2-{5,5-Dimethyl-3-[2-(2-methoxyphenyl)vinyl]cyclohex-2-enylidene}malononitrile","Acta Crystallographica Section E","2001","57","12","o1166","o1167","10.1107/S1600536801018700","","","0.71073","MoKα","","0.137","0.049","","","","0.125","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200819","10.671","0.002","7.767","0.002","12.876","0.003","90","","90","","90","","1067.2","0.4","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Lithium potassium tungstate monohydrate","","- H2 K Li O5 W -","- H2 K Li O5 W -","- H16 K8 Li8 O40 W8 -","8","1","BR6043","Radosavljevic Evans, I.; Howard, Judith A. K.","Lithium potassium tungstate monohydrate, LiKWO~4~·H~2~O","Acta Crystallographica Section E","2002","58","3","i26","i28","10.1107/S1600536802002817","","","0.71073","MoKα","","","0.0197","","","","0.0201","","","","","","1.0055","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200825","14.7176","0.0002","14.768","0.0002","23.586","0.0003","90","","90","","90","","5126.41","0.12","291","1","291","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C18 H16 -","- C18 H16 -","- C288 H256 -","16","2","BT6095","Jovanovic, Jovan; Elling, Wilhelm; Schürmann, Markus; Preut, Hans; Spiteller, Michael","(<i>Z</i>)-2,3,2',3'-Tetrahydro-[1,1']biindenylidene","Acta Crystallographica Section E","2002","58","1","o35","o36","10.1107/S1600536801021092","","","0.71073","MoKα","","0.0909","0.0416","","","0.0996","0.1106","","","","","","0.913","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200875","8.4663","0.001","22.384","0.002","12.216","0.003","90","","90","","90","","2315","0.7","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Hydroxyphenyl)-3-phenyl-2-propenal","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","CI6085","Parthasarathi, V.; Praveen, V. N.; Thamotharan, S.; Vijayalakshmi, L.; Bhaskar, A.","1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2002","58","1","o86","o87","10.1107/S1600536801021328","","","1.5418","CuKα","","0.07","0.044","","","0.109","0.129","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200892","10.8487","0.0001","12.6944","0.0001","32.6567","0.0003","90","","90","","90","","4497.41","0.07","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dimethyl 1,3-Dichloro-8-phenyl-5-phenylsulfanyl-isoquinoline-6,7-dicarboxylate","","- C25 H17 Cl2 N O4 S -","- C25 H17 Cl2 N O4 S -","- C200 H136 Cl16 N8 O32 S8 -","8","1","CV6083","Hoong-Kun Fun; Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Tarun K. Sarkar; Sankar Basak; Naranjan Panda","Dimethyl 1,3-dichloro-8-phenyl-5-phenylsulfanylisoquinoline-6,7-dicarboxylate","Acta Crystallographica Section E","2002","58","3","o215","o217","10.1107/S1600536802000958","","","0.71073","MoKα","","0.0813","0.0522","","","0.1269","0.1381","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200894","7.9406","0.0001","9.4695","0.0002","31.1671","0.0005","90","","90","","90","","2343.56","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Nitrobenzanilide","N-phenyl-2-nitrobenzamide","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","CV6088","Jackson, Roxanne Jean; Parvez, Masood; Nizami, Shaikh S.; Khan, Reem Y.","<i>N</i>-Phenyl-2-nitrobenzamide, an acridone alkaloid precursor","Acta Crystallographica Section E","2002","58","3","o282","o284","10.1107/S1600536802002489","","","0.71073","MoKα","","0.063","0.042","","","0.115","0.128","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200895","8.3669","0.0002","13.5769","0.0004","25.2554","0.0009","90","","90","","90","","2868.93","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Cirsimaritin","(5,4'-Dihydroxy-6,7-dimethoxyflavone)","","- C17 H14 O6 -","- C17 H14 O6 -","- C136 H112 O48 -","8","1","CV6089","Chou, Nancy Hieu-Hong; Parvez, Masood; Ali, Muhammad Shaiq; Ahmed, Shakeel; Ahmed, Waqar","Cirsimaritin","Acta Crystallographica Section E","2002","58","3","o285","o287","10.1107/S1600536802002660","","","0.71073","MoKα","","0.086","0.048","","","0.134","0.157","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200913","9.0609","0.0004","14.7671","0.0006","14.8106","0.0006","90","","90","","90","","1981.71","0.14","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H8 Na O10 P3 Zn -","- H8 Na O10 P3 Zn -","- H64 Na8 O80 P24 Zn8 -","8","1","MG6002","Ouarsal, Rachid; Alaoui Tahiri, Aziz; El Bali, Brahim; Lachkar, Mohammed; Harrison, William T. A.","Sodium zinc tris(dihydrogenphosphite) hydrate, NaZn(H~2~PO~3~)~3~·H~2~O","Acta Crystallographica Section E","2002","58","3","i23","i25","10.1107/S1600536802002209","","","0.71073","MoKα","","0.04","0.0249","","","0.0545","0.0574","","","","","","0.943","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200918","13.0859","0.0014","11.4837","0.0013","22.422","0.002","90","","90","","90","","3369.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C152 H136 N24 O24 -","8","1","NA6113","Yu Zhang; Yizhi Li; Hanbin Tao; Longgen Zhu","4-(Antipyrin-4-yliminomethyl)benzoic acid","Acta Crystallographica Section E","2002","58","1","o24","o26","10.1107/S1600536801020207","","","0.71073","MoKα","","0.0889","0.0453","","","0.0714","0.0764","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200938","19.568","0.0019","10.6989","0.001","21.617","0.002","90","","90","","90","","4525.7","0.7","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H48 N4 O10 Zn2 -","- C48 H48 N4 O10 Zn2 -","- C192 H192 N16 O40 Zn8 -","4","0.5","NA6135","Necefoglu, Hacali; Clegg, William; Scott, Andrew J.","Tetrakis(μ-benzoato)bis[(<i>N,N</i>-diethylnicotinamide)zinc(II)]","Acta Crystallographica Section E","2002","58","3","m121","m122","10.1107/S1600536802002088","","","0.71073","MoKα","","0.0303","0.0275","","","0.0701","0.0725","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200993","13.113","0.001","20.926","0.002","10.6378","0.0008","90","","90","","90","","2919","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Cl4 Cu2 N6 -","- C26 H28 Cl4 Cu2 N6 -","- C104 H112 Cl16 Cu8 N24 -","4","0.5","WW6004","Yoon, Doo-Cheon; Oh, Chang-Eon; Lee, Uk","[μ-<i>N,N,N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)-1,2-ethanediamine]bis[dichlorocopper(II)]","Acta Crystallographica Section E","2002","58","3","m113","m115","10.1107/S1600536802002866","","","0.71073","MoKα","","0.0992","0.0567","","","0.1117","0.1359","","","","","","1.162","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200994","11.2035","0.0015","9.2977","0.0013","22.738","0.003","90","","90","","90","","2368.5","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Acetamido-1-(1-naphthyl)ethylene","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","WW6005","Jia, Xian; Li, Xingshu; Zhou, Zhongyuan; Guo, Rongwei; Chen, Yubin; Yao, Xinsheng","1-Acetamido-1-(1-naphthyl)ethylene","Acta Crystallographica Section E","2002","58","3","o250","o251","10.1107/S1600536802001988","","","0.71073","MoKα","","0.1166","0.0469","","","0.1264","0.1541","","","","","","1.002","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200995","8.0792","0.0001","10.6879","0.0002","24.5704","0.0005","90","","90","","90","","2121.65","0.06","123","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C88 H112 O40 -","8","1","WW6006","Greatrex, Ben W.; Kimber, Marc C.; Taylor, Dennis K.; Fallon, Gary D.","(±)-2,5-Dioxoperhydrocycloocta[<i>b</i>]furan-3-carboxylic acid","Acta Crystallographica Section E","2002","58","3","o248","o249","10.1107/S1600536802001964","","","0.71073","MoKα","","","0.0429","","","","0.0954","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201022","10.0526","0.0005","13.5979","0.0006","24.7047","0.0016","90","","90","","90","","3377","0.3","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cis-[4a]-cisoid-[4a,4b]-cis-[4b]-4b,8b-Diethyl-1,3,5,7-tetramethylperhydro- 1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C128 H192 N32 O32 -","8","1","BT6120","Näther, Christian; Krüger, Oliver; Wille, Uta","<i>cis</i>-[4a]-<i>cisoid</i>-[4a,4b]-<i>cis</i>-[4b]-4b,8b-Diethyl-1,3,5,7-tetramethylperhydro-1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","Acta Crystallographica Section E","2002","58","4","o407","o408","10.1107/S1600536802004464","","","0.71073","MoKα","","0.0502","0.045","","","0.1233","0.1282","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201024","15.2661","0.0009","14.4367","0.0008","15.72","0.0012","90","","90","","90","","3464.6","0.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cis-[4a]-cisoid-[4a,4b]-cis-[4b]-4b-Ethyl-1,3,5,7,8b-pentamethylperhydro- 1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C128 H192 N32 O32 -","8","1","BT6122","Näther, Christian; Krüger, Oliver; Wille, Uta","<i>cis</i>-[4a]-<i>cisoid</i>-[4a,4b]-<i>cis</i>-[4b]-4b-Ethyl-1,3,5,7,8b-hexamethylperhydro-1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone","Acta Crystallographica Section E","2002","58","4","o411","o412","10.1107/S1600536802004488","","","0.71073","MoKα","","0.0456","0.0398","","","0.1064","0.1112","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201029","11.0278","0.0002","7.7486","0.0005","15.7861","0.0007","90","","90","","90","","1348.92","0.11","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-Dihydro-2-hydroxybenzo[b]furan-3-one","","- C8 H6 O3 -","- C8 H6 O3 -","- C64 H48 O24 -","8","1","BT6129","Kresge, A. J.; Lough, Alan J.; Meng, Q.","2,3-Dihydro-2-hydroxybenzo[<i>b</i>]furan-3-one","Acta Crystallographica Section E","2002","58","5","o495","o497","10.1107/S160053680200572X","","","0.71073","MoKα","","0.045","0.038","","","0.1","0.106","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201038","13.91","0.0002","7.989","0.0006","16.408","0.0007","90","","90","","90","","1823.37","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","1","BT6138","Robin, Maxime; Galy, Jean-Pierre; Kenz, Ahmed; Pierrot, Marcel","<i>N</i>-(4-Amino-2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2002","58","6","o644","o645","10.1107/S1600536802008061","","","0.71073","MoKα","","0.0893","0.0627","","","0.1905","0.2247","","","","","","1.205","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201046","15.48","0.003","5.9692","0.0009","27.962","0.005","90","","90","","90","","2583.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Bibromophenyl 4-bromophenyl ether","","- C12 H7 Br3 O -","- C12 H7 Br3 O -","- C96 H56 Br24 O8 -","8","1","BT6146","Eriksson, Lars; Hu, Jiwei","4-Bromophenyl 2,4-dibromophenyl ether","Acta Crystallographica Section E","2002","58","6","o696","o698","10.1107/S1600536802008693","","","0.71073","MoKα","","0.0892","0.0349","","","0.0398","0.0442","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201064","13.763","0.004","11.909","0.004","20.357","0.006","90","","90","","90","","3336.6","1.8","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis(1-bromo-9-chlorohomocub-9-yl) ether","1-bromo-9-(7-bromo-8-chloropentacyclo[4.3.0.0^2,5^.0^3,9^.0^4,7^]non-8-yloxy)- 9-chloropentacyclo[4.3.0.0^2,5^.0^3,8^.0^4,7^]nonane","","- C18 H14 Br2 Cl2 O -","- C18 H14 Br2 Cl2 O -","- C144 H112 Br16 Cl16 O8 -","8","1","CF6171","Tang, Datong; Gilardi, Richard; Eaton, Philip E.","Bis(1-bromo-9-chlorohomocub-9-yl) ether","Acta Crystallographica Section E","2002","58","6","o618","o619","10.1107/S1600536802007717","","","0.71073","MoKα","","0.036","0.0224","","","0.0436","0.0448","","","","","","0.861","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201075","8.9909","0.0017","14.814","0.003","20.469","0.004","90","","90","","90","","2726.3","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-acetyl-N-[1-(2-naphthalenyl)ethenyl]-acetamide","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","CI6098","Jia, Xian; Li, Xingshu; Zhou, Zhongyuan; You, Song; Chen, Yubin; Yao, Xinsheng","<i>N</i>-Acetyl-<i>N</i>-[1-(2-naphthalenyl)ethenyl]acetamide","Acta Crystallographica Section E","2002","58","4","o438","o439","10.1107/S160053680200466X","","","0.71073","MoKα","","0.192","0.047","","","0.107","0.164","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201101","11.2558","0.0006","14.5078","0.0007","31.395","0.0017","90","","90","","90","","5126.7","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 N4 S4 Zn -","- C24 H28 N4 S4 Zn -","- C192 H224 N32 S32 Zn8 -","8","1","CM6006","Guo, Tengwen; Lai, Chian Sing; Tan, Xi Jie; Teo, Chin Seng; Tiekink, Edward R. T.","(4,7-Dimethyl-1,10-phenanthroline)bis(pyrrolinedithiocarbamato)zinc(II)","Acta Crystallographica Section E","2002","58","5","m239","m241","10.1107/S1600536802007572","","","0.71069","MoKα","","0.054","0.043","","","0.106","0.112","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201122","8.824","0.001","10.547","0.001","18.928","0.002","90","","90","","90","","1761.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-Butanediammonium chromate","","- C4 H14 Cr N2 O4 -","- C4 H14 Cr N2 O4 -","- C32 H112 Cr8 N16 O32 -","8","1","DN6024","Chebbi, Hammouda; Driss, Ahmed","1,4-Butanediammonium chromate","Acta Crystallographica Section E","2002","58","4","m147","m149","10.1107/S1600536802003975","","","0.71073","MoKα","","0.0316","0.0237","","","0.0702","0.0745","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201146","7.611","0.004","17.137","0.005","26.161","0.01","90","","90","","90","","3412","2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-3,6-Bis(chlorophenylmethylene)-1,2,4,5-tetrathiane","","- C16 H10 Cl2 S4 -","- C16 H10 Cl2 S4 -","- C128 H80 Cl16 S32 -","8","1","NA6154","Jones, Peter G.; Bubenitschek, Peter; Sander, Wolfram; Wierlacher, Stefan","<i>trans</i>-3,6-Bis(chlorophenylmethylene)-1,2,4,5-tetrathiane","Acta Crystallographica Section E","2002","58","5","o555","o556","10.1107/S1600536802006372","","","0.71073","MoKα","","0.0577","0.0487","","","0.1295","0.1396","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201179","6.3673","0.0005","11.3245","0.0009","28.297","0.002","90","","90","","90","","2040.4","0.3","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","sodium 2-[N-morpholino]ethanesulfonate hydrate","","- C6 H14 N Na O5 S -","- C6 H14 N Na O5 S -","- C48 H112 N8 Na8 O40 S8 -","8","1","OM6085","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; George, Clifford","Sodium 2-(<i>N</i>-morpholino)ethanesulfonate monohydrate","Acta Crystallographica Section E","2002","58","5","m167","m168","10.1107/S160053680200541X","","","0.71073","MoKα","","0.04","0.0356","","","0.0867","0.0889","","","","","","1.118","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201214","7.623","0.003","12.762","0.004","28.155","0.007","90","","90","","90","","2739.1","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N-(1,1-dimethylethyl)-9-acridinamine","","- C17 H18 N2 -","- C17 H18 N2 -","- C136 H144 N16 -","8","1","YA6091","Joanna Meszko; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski","9-(<i>tert</i>-Butylamino)acridine","Acta Crystallographica Section E","2002","58","4","o458","o460","10.1107/S1600536802005111","","","0.71073","MoKα","","0.072","0.044","","","0.11","0.129","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201290","16.38","0.004","15.653","0.003","24.074","0.004","90","","90","","90","","6172","2","178","2","178","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{N-[tert-Butyl(phenyl)phosphino]-N'-diphenylphosphino-N,N'-dimethylurea- P,P'}dichloroplatinum(II) chloroform solvate","","- C26 H31 Cl5 N2 O P2 Pt -","- C26 H31 Cl5 N2 O P2 Pt -","- C208 H248 Cl40 N16 O8 P16 Pt8 -","8","1","BT6178","Jones, Peter G.; Schmutzler, Reinhard; Vogt, Roland","{<i>N</i>-[<i>tert</i>-Butyl(phenyl)phosphino]-<i>N</i>'-diphenylphosphino-<i>N</i>,<i>N</i>'-dimethylurea-<i>P</i>,<i>P</i>'}dichloroplatinum(II) chloroform solvate","Acta Crystallographica Section E","2002","58","9","m476","m477","10.1107/S1600536802014083","","","0.71073","MoKα","","0.0712","0.0336","","","0.0716","0.0866","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201292","15.89","0.002","11.2944","0.0016","21.125","0.003","90","","90","","90","","3791.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Modified amino acid","Macrocyclic cyclophane-based unusual amino acid","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C168 H184 N8 O24 -","4","0.5","BT6180","Lakshminarasimhan Damodharan; B. Syed Ibrahim; Vasantha Pattabhi; Manoranjan Behera; Sambasivarao Kotha","<i>anti</i>-2,19-Diethoxycarbonyl-2,19-diformylamino[3.2.3.2]paracyclophane","Acta Crystallographica Section E","2002","58","9","o1038","o1039","10.1107/S1600536802015313","","","0.71073","MoKα","","0.1052","0.0674","","","0.1586","0.1788","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201308","18.728","0.002","17.031","0.0016","7.758","0.003","90","","90","","90","","2474.5","1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Propyl mesityl sulfone","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C96 H144 O16 S8 -","8","1","BT6197","Meyers, Cal Y.; Roper, William; Klavetter, Floyd; Horii, T.; Sandrock, Paul B.; Robinson, Paul D.","2-Propyl mesityl sulfone","Acta Crystallographica Section E","2002","58","10","o1166","o1168","10.1107/S1600536802017580","","","0.71069","MoKα","","0.078","0.036","","","0.102","0.12","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201331","11.3201","0.0018","14.422","0.002","17.073","0.003","90","","90","","90","","2787.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(2-pyridylmethyl)ammonium perchlorate","","- C12 H14 Cl N3 O4 -","- C12 H14 Cl N3 O4 -","- C96 H112 Cl8 N24 O32 -","8","1","CF6188","Ray J. Butcher; Yilma Gultneh; A. Raza Khan","Bis(2-pyridylmethyl)ammonium perchlorate","Acta Crystallographica Section E","2002","58","8","o858","o859","10.1107/S1600536802012527","","","0.71073","MoKα","","0.0871","0.0554","","","0.1358","0.1559","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201347","24.106","0.002","20.763","0.002","11.8193","0.0007","90","","90","","90","","5915.7","0.8","294","","294","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 B N O5 -","- C34 H36 B N O5 -","- C272 H288 B8 N8 O40 -","8","1","CF6204","Wolfgang Kliegel; Ute Schumacher; Brian O. Patrick; Steven J. Rettig; James Trotter","A diphenylboron chelate of an <i>N</i>-alkyl-2,2-diarylglycolohydroxamic acid","Acta Crystallographica Section E","2002","58","10","o1095","o1097","10.1107/S1600536802016124","","","0.71073","MoKα","","0.106","0.04","","0.038","","0.038","","","1.96","","","1.96","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201411","13.5826","0.0002","10.6063","0.0002","14.326","0.0003","90","","90","","90","","2063.82","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-methoxybenzaldehyde thiosemicarbazone","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C72 H88 N24 O8 S8 -","8","1","CI6177","S. Selvanayagam; M. Yogavel; V. Rajakannan; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun","2-Methoxybenzaldehyde thiosemicarbazone","Acta Crystallographica Section E","2002","58","12","o1336","o1338","10.1107/S160053680201961X","","","0.71073","MoKα","","0.0694","0.0436","","","0.1153","0.1259","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201429","17.805","0.004","37.831","0.014","19.3318","0.0018","90","","90","","90","","13022","6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tris[bis(diphenylphosphino)methane]rhenium(I) perrhenate","","- C75 H66 O4 P6 Re2 -","- C75 H66 O4 P6 Re2 -","- C600 H528 O32 P48 Re16 -","8","1","CV6110","Kenton H. Whitmire; Daniel R. Derringer; Kimberly R. Kongkasuwan","Tris[bis(diphenylphosphino)methane-κ^2^<i>P,P</i>']rhenium(I) perrhenate","Acta Crystallographica Section E","2002","58","7","m363","m365","10.1107/S1600536802010838","","","0.71069","MoKα","","0.0874","0.0455","","","0.0974","0.1148","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201443","15.2751","0.0014","15.498","0.002","16.835","0.002","90","","90","","90","","3985.4","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(propane-1,3-diamine)nickel(II) tetrafluoroborate.","","- C9 H30 B2 F8 N6 Ni -","- C9 H30 B2 F8 N6 Ni -","- C72 H240 B16 F64 N48 Ni8 -","8","1","CV6130","Roger D. Willett; Firas F. Awwadi","Tris(propane-1,3-diamine)nickel(II) bis(tetrafluoroborate)","Acta Crystallographica Section E","2002","58","9","m471","m472","10.1107/S1600536802014113","","","0.71073","MoKα","","0.1529","0.0594","","","0.1088","0.1392","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201454","7.4455","0.0007","15.31","0.003","29.487","0.003","90","","90","","90","","3361.2","0.8","295","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H16 Cl2 F N3 O2 -","- C17 H16 Cl2 F N3 O2 -","- C136 H128 Cl16 F8 N24 O16 -","8","1","CV6142","Özbey, Süheyla; Kaynak, F. Betül; Kus̨, Canan; Göker, Hakan","2-(2,4-Dichlorophenyl)-5-fluoro-6-morpholin-4-yl-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2002","58","10","o1062","o1064","10.1107/S1600536802015842","","","0.71073","MoKα","","","0.0382","","","","0.1064","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201464","21.372","0.003","14.705","0.004","7.211","0.002","90","","90","","90","","2266.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C88 H104 N24 O16 -","8","1","CV6152","Shang Shan; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang","Cyclopentanone 4-nitrophenylhydrazone","Acta Crystallographica Section E","2002","58","11","o1218","o1219","10.1107/S160053680201841X","","","0.71073","MoKα","","0.1762","0.0492","","","0.141","0.1972","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201475","13.8685","0.001","8.6075","0.001","25.233","0.002","90","","90","","90","","3012.1","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(2,4-Dibromophenylamino)-7-nitrobenzisoselenazol-3-one","","- C13 H7 Br2 N3 O3 Se -","- C13 H7 Br2 N3 O3 Se -","- C104 H56 Br16 N24 O24 Se8 -","8","1","DN6034","Dupont, Léon; Messali, Mouslim; Christiaens, Léon; Evrard, Guy","2-(2,4-Dibromophenylamino)-7-nitrobenzisoselenazol-3-one","Acta Crystallographica Section E","2002","58","8","o828","o830","10.1107/S1600536802011716","","","1.54178","CuKα","","0.0422","0.0329","","","0.081","0.085","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2201482","8.935","0.0004","10.277","0.0003","21.764","0.0003","90","0.003","90","0.002","90","0.002","1998.48","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Diglycinium sulfate","","","- C4 H12 N2 O8 S -","- C4 H12 N2 O8 S -","- C32 H96 N16 O64 S8 -","8","1","DN6041","Cherouana, Aouatef; Benali-Cherif, Nourredine; Bendjeddou, Lamia; Merazig, Hocine","Diglycinium sulfate","Acta Crystallographica Section E","2002","58","12","o1351","o1353","10.1107/S1600536802019785","","","0.71073","MoKα","","0.0368","0.0341","","","0.0975","0.0975","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201546","10.7617","0.0005","19.1957","0.0007","21.4568","0.0009","90","","90","","90","","4432.5","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Triphenyl(benzoylmethyl)phosphonium nitrate","Triphenyl(benzoylmethyl)phosphonium nitrate","","- C26 H22 N O4 P -","- C26 H22 N O4 P -","- C208 H176 N8 O32 P8 -","8","1","OB6140","Baby Mariyatra, Mahimaidoss; Panchanatheswaran, Krishnaswamy; Goeta, Andres E.","Triphenyl(benzoylmethyl)phosphonium nitrate: a three-dimensional hydrogen-bonded network","Acta Crystallographica Section E","2002","58","8","o807","o809","10.1107/S1600536802011431","","","0.71073","MoKα","","0.0471","0.0392","","","0.105","0.1138","","","","","","1.028","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201556","8.793","0.005","9.366","0.005","17.881","0.01","90","","90","","90","","1472.6","1.4","293","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Bis(2-benzimidazolyl)butane","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","0.5","OB6151","Chunlong, Chen; Chengyong, Su; Anwu, Xu; Huaxin, Zhang; Xiaolong, Feng; Beisheng, Kang","1,4-Bis(benzimidazol-2-yl)butane","Acta Crystallographica Section E","2002","58","8","o916","o917","10.1107/S1600536802012904","","","0.71073","MoKα","","","0.0394","","","","0.106","","","","","","1.046","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201574","13.6479","0.0002","18.8071","0.0002","21.6016","0.0003","90","","90","","90","","5544.64","0.13","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1,1,1-tris(2-hydroxybenzylideneaminomethyl)propane iron(III)","1,1,1-tris(2-hydroxybenzylideneaminomethyl)propane iron(III)","","- C28 H27 Cl3 Fe N3 O3 -","- C28 H27 Cl3 Fe N3 O3 -","- C224 H216 Cl24 Fe8 N24 O24 -","8","1","OB6169","Reglinski, John; Patykiewicz, Marta","1,1,1-Tris(2-hydroxybenzylideneamino)methylpropane iron(III) chloroform solvate","Acta Crystallographica Section E","2002","58","10","m543","m544","10.1107/S1600536802015921","","","0.71073","MoKα","","0.0608","0.0356","","","0.0792","0.0873","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201629","12.34","0.001","10.38","0.001","20.321","0.002","90","","90","","90","","2602.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4,7,11,14,17-Hexaazacycloicosane-9,19-diol hexahydrobromide","","- C14 H40 Br6 N6 O2 -","- C14 H40 Br6 N6 O2 -","- C56 H160 Br24 N24 O8 -","4","0.5","TK6064","Liang, Feng; Li, Yi-Zhi; Wu, Cheng-Tai; Liu, Si-Min","1,4,7,11,14,17-Hexaazacycloicosane-9,19-diol hexahydrobromide","Acta Crystallographica Section E","2002","58","8","m950","m952","10.1107/S1600536802012187","","","0.71073","MoKα","","0.056","0.039","","","0.086","0.088","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201644","18.271","0.006","16.941","0.005","20.221","0.006","90","","90","","90","","6259","3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(methyliminodiethanolato-κ^5^O:O,N,O':O')tetra-μ-n-propanolato-κ^8^O:O- octa-n-propanolato-κO-tetrazirconium","","- C23 H53 N O8 Zr2 -","- C45.996 H54 N2 O16 Zr4 -","- C183.984 H216 N8 O64 Zr16 -","4","0.5","TK6081","Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim","A centrosymmetric μ~2~-alkoxo-bridged zirconium tetrameric complex: [Zr~2~(μ~2~-<i>O</i>,μ~2~-<i>O</i>'-methyliminodiethanolate)(μ~2~-<i>O</i>-<i>n</i>-propanolate)~2~(<i>n</i>-propanolate)~4~]~2~","Acta Crystallographica Section E","2002","58","11","m619","m621","10.1107/S1600536802017981","","","0.71073","MoKα","","0.095","0.057","","","0.15","0.181","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201696","17.158","0.003","7.607","0.0012","18.823","0.003","90","","90","","90","","2456.8","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","WW6053","Chen, Xuanhua; Guo, Rongwei; Zhou, Zhongyuan","Ethyl (<i>E</i>)-2-acetyl-3-amino-3-phenyl-2-propylenoate","Acta Crystallographica Section E","2002","58","12","o1423","o1424","10.1107/S1600536802021517","","","0.71073","MoKα","","0.0974","0.0465","","","0.1026","0.1176","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201698","9.806","0.002","12.435","0.003","17.067","0.004","90","","90","","90","","2081.1","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C72 H120 N8 O24 -","8","1","WW6055","Chen, Xuanhua; Guo, Rongwei; Zhou, Zhongyuan","Methyl (<i>E</i>)-3-acetamido-4-methyl-2-pentenoate","Acta Crystallographica Section E","2002","58","12","o1425","o1426","10.1107/S1600536802021554","","","0.71073","MoKα","","0.1791","0.0635","","","0.1517","0.1981","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201724","9.059","0.0006","19.507","0.003","10.1015","0.0009","90","","90","","90","","1785.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DL-threoninium dihydrogen phosphate","DL-threoninium dihydrogen phosphate","","- C4 H12 N O7 P -","- C4 H12 N O7 P -","- C32 H96 N8 O56 P8 -","8","1","YA6135","Ravikumar, B.; Sridhar, B.; Rajaram, R. K.","<small>DL</small>-Threoninium dihydrogen phosphate","Acta Crystallographica Section E","2002","58","11","o1185","o1187","10.1107/S1600536802017762","","","0.71069","MoKα","","0.049","0.036","","","0.086","0.091","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201743","11.188","0.001","12.138","0.002","16.354","0.002","90","","90","","90","","2220.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C96 H88 N16 O24 -","4","0.5","AC6032","Moreno-Fuquen, Rodolfo; Font i Carot, Mercé; Garriga, Miquel; Cano, Felix; Martinez-Ripoll, Martin; Valderrama-Naranjo, Jaime; Serratto, Luis Manuel","The 2:1 complex of 4-aminobenzoic acid and 4,4'-bipyridyl <i>N,N</i>'-dioxide","Acta Crystallographica Section E","2003","59","4","o495","o497","10.1107/S160053680300552X","","","0.71073","MoKα","","0.087","0.044","","","0.116","0.146","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201758","14.806","0.001","9.078","0.002","14.811","0.002","90","","90","","90","","1990.8","0.5","295","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H8 Mg Na O10 P3 -","- H8 Mg Na O10 P3 -","- H64 Mg8 Na8 O80 P24 -","8","1","","Ouarsal, Rachid; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Dusek, Michal; Karla, Fejfarova; El Bali, Brahim","Synthesis and crystal structure of sodium magnesium tris(dihydrogenophosphite) monohydrate, NaMg(H~2~PO~3~)~3~.H~2~O","Acta Crystallographica, Section E","2003","59","","i33","i35","10.1107/S1600536803002757","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2201763","8.3994","0.0013","8.8066","0.0006","14.137","0.0017","90","","90","","90","","1045.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Mercury(II) tetraborate","","","- B4 Hg O7 -","- B4 Hg O7 -","- B32 Hg8 O56 -","8","1","","Weil, Matthias","HgB~4~O~7~, a member of the isotypic M^II^B~4~O~7~ family (M^II^ = Mg, Mn, Zn, Cd)","Acta Crystallographica, Section E","2003","59","","i40","i42","10.1107/S1600536803003611","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2201854","10.0339","0.0009","12.5618","0.0012","30.22","0.003","90","","90","","90","","3809","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(2,6-Dichlorophenyl)-8-ethyl-4-phenyl-1-oxa-6-thia-2,8-diazaspiro[4.4]non- 2-ene-7,9-dione","","- C19 H14 Cl2 N2 O3 S -","- C19 H14 Cl2 N2 O3 S -","- C152 H112 Cl16 N16 O24 S8 -","8","1","CF6237","Li, Xiao-Fang; Feng, Ya-Qing; Gu, Yun-Feng","3-(2,6-Dichlorophenyl)-8-ethyl-4-phenyl-1-oxa-6-thia-2,8-diazaspiro[4.4]non-2-ene-7,9-dione","Acta Crystallographica Section E","2003","59","3","o330","o331","10.1107/S1600536803003003","","","0.71073","MoKα","","0.0971","0.052","","","","0.1104","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201861","11.8503","0.0005","7.853","0.0003","19.963","0.0009","90","","90","","90","","1857.76","0.13","100","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 F N2 O -","- C9 H11 F N2 O -","- C72 H88 F8 N16 O8 -","8","1","CF6244","Muir, Kenneth W.; Morris, David G.","<i>N,N</i>-Dimethyl-<i>N</i>'-(<i>o</i>-fluorobenzoyl)hydrazide","Acta Crystallographica Section E","2003","59","4","o490","o492","10.1107/S1600536803005634","","","0.71073","MoKα","","","0.0447","","","","0.116","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201883","9.0894","0.0018","25.813","0.003","15.1605","0.001","90","","90","","90","","3557","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","r-2,c-6-Di(p-tolyl)-t-3,t-5-dimethyltetrahydropyran-4-one","","- C21 H24 O2 -","- C21 H24 O2 -","- C168 H192 O16 -","8","1","CI6198","Krishnamoorthy, Belli Sundaram; Sarangarajan, Thanjavur Ramabhadran; Thanikasalam, Kanagasabapathy; Panchanatheswaran, Krishnaswamy; Jeyaraman, Ramasubbu","<i>r</i>-2,<i>c</i>-6-Bis(<i>p</i>-tolyl)-<i>t</i>-3,<i>t</i>-5-dimethyltetrahydropyran-4-one","Acta Crystallographica Section E","2003","59","4","o461","o462","10.1107/S1600536803005336","","","1.5418","CuKα","","0.1547","0.0744","","","0.1564","0.1976","","","","","","1.109","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201889","8.3865","0.0013","18.273","0.004","10.652","0.002","90","","90","","90","","1632.4","0.5","293","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C80 H64 O16 -","8","1","CI6204","A. Thiruvalluvar; S. Silvarani; A. Vadivelu; K. Sithik Ali; V. R. Venkataraman","2-Acetylbenzo[<i>b</i>]furan","Acta Crystallographica Section E","2003","59","4","o395","o396","10.1107/S1600536803004306","","","0.71073","MoKα","","","0.0356","","","","0.0922","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201890","15.013","0.001","9.123","0.0016","25.462","0.004","90","","90","","90","","3487.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","r-2,c-6-di(4-chlorophenyl)-t-3,t-5-dimethyltetrahydropyran-4-one","","- C19 H18 Cl2 O2 -","- C19 H18 Cl2 O2 -","- C152 H144 Cl16 O16 -","8","1","CI6205","Jose Kavitha, Savaridasson; Sarangarajan, Thanjavur Ramabhadran; Thanikasalam, Kanagasabapathy; Panchanatheswaran, Krishnaswamy; Jeyaraman, Ramasubbu","<i>r</i>-2,<i>c</i>-6-Bis(4-chlorophenyl)-<i>t</i>-3,<i>t</i>-5-dimethyltetrahydropyran-4-one","Acta Crystallographica Section E","2003","59","4","o463","o465","10.1107/S1600536803005361","","","0.71069","MoKα","","0.0794","0.0513","","","0.1152","0.1399","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201896","11.0203","0.0007","8.0642","0.0005","31.1269","0.0018","90","","90","","90","","2766.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-phenyl-3-pyridinylacrylate","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","CI6214","Yun Li; Anwar Usman; Hoong-Kun Fun; Jian-Hua Xu","Ethyl 2-phenyl-3-(pyridin-2-yl)acrylate","Acta Crystallographica Section E","2003","59","5","o610","o611","10.1107/S1600536803007529","","","0.71073","MoKα","","0.0954","0.0691","","","0.1442","0.1574","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201903","10.4039","0.0007","11.0435","0.0008","17.7471","0.0012","90","","90","","90","","2039.1","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-hydroxyphenyl)-1,3-dithiane","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C80 H96 O8 S16 -","8","1","CI6223","Anwar Usman; Hoong-Kun Fun; Nemai C. Ganguly; Mrityunjoy Datta; Kumaresh Ghosh","2-(2-Hydroxyphenyl)-1,3-dithiane","Acta Crystallographica Section E","2003","59","6","o773","o775","10.1107/S1600536803009401","","","0.71073","MoKα","","0.0769","0.063","","","0.1308","0.1365","","","","","","1.236","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201917","11.4236","0.001","10.2623","0.0009","21.899","0.003","90","","90","","90","","2567.3","0.5","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Cl3 N O -","- C11 H14 Cl3 N O -","- C88 H112 Cl24 N8 O8 -","8","1","CM6041","Kaynak, F. Betül; Özbey, Süheyla; Şenöz, Hülya; Tunoḡlu, Nazan","2-Trichloroacetyl-1-(1-pyrrolidinyl)cyclopentene","Acta Crystallographica Section E","2003","59","6","o833","o835","10.1107/S1600536803010535","","","0.71073","MoKα","","","0.0402","","","","0.1239","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202021","13.3935","0.0007","13.4828","0.0008","15.2291","0.0008","90","","90","","90","","2750.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,4-dinitrophenyl p-toluenesulfonate","2,4-dinitrophenyl 4-toluenesulfonate","","- C13 H10 N2 O7 S -","- C13 H10 N2 O7 S -","- C104 H80 N16 O56 S8 -","8","1","LH6038","Nagarajan Vembu; Maruthai Nallu; Jered Garrison; Wiley J. Youngs","2,4-Dinitrophenyl 4-toluenesulfonate: molecular aggregation through weak C—H···O interactions","Acta Crystallographica Section E","2003","59","3","o378","o380","10.1107/S1600536803004197","","","0.71073","MoKα","","0.0337","0.0301","","","0.0847","0.0867","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202072","17.7766","0.0002","20.4108","0.0001","32.0452","0.0002","90","","90","","90","","11627.1","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(5,11,17,23-Tetra-t-butyl-26,28-dihydroxy-25,27-bis(ethoxycarbonylmethoxy)-pen tacyclo(19.3.1.1^3,7^.1^9,13^.1^15,19^)octacosa-1(25),3,5,7(28),9,11,13(27),15 ,17,19(26),21,23-dodecaene) clathrate chloroform solvate","","- C54 H70 Cl6 O8 -","- C54 H70 Cl6 O8 -","- C432 H560 Cl48 O64 -","8","1","NA6213","Bolte, Michael; Danila, Crenguta; Böhmer, Volker","Redetermination of 5,11,17,23-tetra-<i>tert</i>-butyl-25,27-di(ethoxycarbonylmethoxy)-26,28-dihydroxycalix[4]arene chloroform disolvate at low temperature","Acta Crystallographica Section E","2003","59","4","o533","o534","10.1107/S1600536803006032","","","0.71073","MoKα","","0.1345","0.0945","","","0.2619","0.2973","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202110","10.87","0.002","18.932","0.002","22.135","0.003","90","","90","","90","","4555.2","1.1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Benzoylmethyl)triphenylphosphonium iodide","","- C26 H22 I O P -","- C26 H22 I O P -","- C208 H176 I8 O8 P8 -","8","1","OB6212","Mahimaidoss Baby Mariyatra; Balasubramanian Kalyanasundari; Krishanaswamy Panchanatheswaran; Goeta, Andres E.","(Benzoylmethyl)triphenylphosphonium iodide: supramolecular zigzag chains <i>via</i> C—H···O hydrogen bonding stabilized by C—H···I interactions","Acta Crystallographica Section E","2003","59","2","o255","o257","10.1107/S1600536803002137","","","0.71073","MoKα","","0.033","0.0258","","","0.055","0.0573","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202123","14.7891","0.0011","10.8965","0.0008","15.4391","0.0011","90","","90","","90","","2488","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl (3SR,4RS)-3-benzyl-4-hydroxy-2-oxopyrrolidine-3-carboxylate","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","OB6226","Ahmad Sazali Hamzah; Zurina Shaameri; Izwan A. Adziz; Bohari M. Yamin","Methyl (3<i>SR</i>,4<i>RS</i>)-3-benzyl-4-hydroxy-2-oxopyrrolidine-3-carboxylate","Acta Crystallographica Section E","2003","59","5","o737","o738","10.1107/S1600536803009103","","","0.71073","MoKα","","0.0485","0.0426","","","0.1218","0.128","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202171","9.895","0.001","11.343","0.002","18.791","0.002","90","","90","","90","","2109.1","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","SU6020","Craig M. Williams; Lewis N. Mander; Paul V. Bernhardt","1-Ethynyl-2-isopropoxy-3-methoxybenzene","Acta Crystallographica Section E","2003","59","4","o561","o563","10.1107/S1600536803006585","","","0.71073","MoKα","","0.0635","0.0388","","","0.1005","0.1123","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202209","11.59","0.004","10.603","0.003","16.935","0.005","90","","90","","90","","2081.1","1.1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Methyl-2-trichloroacetyl-4-nitropyrrole","1-Methyl-4-nitro-2-(trichloroacetyl)pyrrole","","- C7 H5 Cl3 N2 O3 -","- C7 H5 Cl3 N2 O3 -","- C56 H40 Cl24 N16 O24 -","8","1","WN6144","Lu, Liping; Zhou Chengyong; Zhang, Guocai; Zhu, Miaoli; Yang, Pin","1-Methyl-4-nitro-2-(trichloroacetyl)pyrrole","Acta Crystallographica Section E","2003","59","4","o478","o479","10.1107/S1600536803005555","","","0.71073","MoKα","","0.055","0.0465","","","0.1079","0.1124","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202210","11.5674","0.0015","10.1948","0.0019","21.433","0.003","90","","90","","90","","2527.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-phenyl-4a,5-dihydro-1,2,4-triazolo[3,4-b][1,3]benzothiazine","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C120 H88 N24 S8 -","8","1","WN6145","P. G. Aravindan; V. Rajakannan; M. Yogavel; D. Velmurugan; A. Senthilvelan; Il-Hawn Suh","3-Phenyl-4a,5-dihydro-1,2,4-triazolo[3,4-<i>b</i>][1,3]benzothiazine","Acta Crystallographica Section E","2003","59","5","o622","o624","10.1107/S1600536803007190","","","0.71073","MoKα","","0.0772","0.0438","","","0.1217","0.1462","","","","","","0.877","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202312","11.887","0.002","9.671","0.002","19.493","0.004","90","","90","","90","","2240.9","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cesium trichromate","","","- Cr3 Cs2 O10 -","- Cr3 Cs2 O10 -","- Cr24 Cs16 O80 -","8","1","","Kolitsch, Uwe","α-Cs~2~Cr~3~O~10~","Acta Crystallographica, Section E","2003","59","","i164","i166","10.1107/S1600536803026473","","","","","","","","","","","","","","","","","","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2202332","7.3679","0.0014","22.28","0.004","27.448","0.004","90","","90","","90","","4505.8","1.3","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","cis-bis(N,N-dimethyl-N'-2-chlorobenzoylthioureato)nickel(II)","","- C20 H20 Cl2 N4 Ni O2 S2 -","- C20 H20 Cl2 N4 Ni O2 S2 -","- C160 H160 Cl16 N32 Ni8 O16 S16 -","8","1","BT6300","Emen, Fatih Mehmet; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","<i>cis</i>-Bis(<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-2-chlorobenzoylthioureato)nickel(II)","Acta Crystallographica Section E","2003","59","8","m582","m583","10.1107/S1600536803014934","","","0.71073","MoKα","","0.1339","0.0555","","","0.1218","0.1716","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202334","13.3792","0.0011","12.6369","0.0007","14.9381","0.0009","90","","90","","90","","2525.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-dimethylpiperazinium tetrathiotungstate(VI)","","- C6 H16 N2 S4 W -","- C6 H16 N2 S4 W -","- C48 H128 N16 S32 W8 -","8","1","BT6303","Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang","1,4-Dimethylpiperazinium tetrathiotungstate(VI)","Acta Crystallographica Section E","2003","59","8","m681","m683","10.1107/S1600536803016040","","","0.71073","MoKα","","0.0309","0.0246","","","0.0632","0.0668","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202373","9.2974","0.0005","15.2169","0.0008","16.1024","0.0008","90","","90","","90","","2278.1","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua-8-hydroxyquinolinyl-5-sulfonatozinc(II)","","- C9 H9 N O6 S Zn -","- C9 H9 N O6 S Zn -","- C72 H72 N8 O48 S8 Zn8 -","8","1","BT6343","Rao, Huo-Yu; Tao, Jun; Ng, Seik Weng","Polymeric diaqua-8-hydroxyquinolinyl-5-sulfonatozinc(II)","Acta Crystallographica Section E","2003","59","10","m859","m860","10.1107/S1600536803019433","","","0.71073","MoKα","","0.038","0.032","","","0.083","0.085","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202376","14.4717","0.0005","6.4247","0.0002","18.4846","0.0006","90","","90","","90","","1718.63","0.1","293","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 Cu N10 O10 -","- C10 H12 Cu N10 O10 -","- C40 H48 Cu4 N40 O40 -","4","0.5","","Abul-Haj, Mohammad; Quirós, Miguel; Salas, Juan M.","Diaquabis(nitrato-κO)bis(4,7-dihydro-1,2,4-triazolo [1,5-a]pyrimidine-7-one-κN^3^)copper(II)","Acta Crystallographica, Section E: Structure Reports Online","2003","59","10d","m903","m905","10.1107/s1600536803019974","","","","","","","","","","","","","","","","","","","","","has coordinates","200778","2020-10-21","18:00:00",""
"2202410","10.2463","0.0004","16.1386","0.0009","24.5021","0.0013","90","","90","","90","","4051.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Pentacarbonyl[diphenyl(perfluorovinyl)phosphine]molybdenum(0)","","- C19 H10 F3 Mo O5 P -","- C19 H10 F3 Mo O5 P -","- C152 H80 F24 Mo8 O40 P8 -","8","1","BT6384","Peters, R. Gregory; Palcic, Jason D.; Baughman, Russell G.","Pentacarbonyl[diphenyl(perfluorovinyl)phosphine]molybdenum(0)","Acta Crystallographica Section E","2003","59","12","m1198","m1200","10.1107/S1600536803026333","","","0.71073","MoKα","","0.0542","0.0342","","0.0854","","0.0767","","","1.032","","","1.091","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202435","8.2512","0.0008","9.5494","0.0009","17.1248","0.0017","90","","90","","90","","1349.3","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Bis(benzimidazol-2-ylmethyl)amine","","- C16 H15 N5 -","- C16 H15 N5 -","- C64 H60 N20 -","4","0.5","CF6275","Tarazon Navarro, Ana; McKee, Vickie","Redetermination of bis(benzimidazol-2-ylmethyl)amine","Acta Crystallographica Section E","2003","59","8","o1199","o1201","10.1107/S1600536803016349","","","0.71073","MoKα","","0.0404","0.0343","","","0.0791","0.0837","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202455","9.5897","0.0006","27.024","0.002","14.3392","0.0014","90","","90","","90","","3716","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-Dicyano-1,2-bis(2-dimethylaminoethylsulfanyl)benzene","","- C16 H22 N4 S2 -","- C16 H22 N4 S2 -","- C128 H176 N32 S16 -","8","1","CF6299","Çoruh, Ufuk; Ustabaş, Reşat; Yılmaz, İsmail; Yavuz, Metin","4,5-Dicyano-1,2-bis(2-dimethylaminoethylsulfanyl)benzene","Acta Crystallographica Section E","2003","59","12","o1938","o1940","10.1107/S1600536803025376","","","0.71073","MoKα","","0.1499","0.0452","","","0.0781","0.0955","","","","","","0.716","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202475","9.5831","0.0002","15.606","0.0003","18.1212","0.0003","90","","90","","90","","2710.1","0.09","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H28 N4 O20 S4 U2 -","- C10 H28 N4 O20 S4 U2 -","- C40 H112 N16 O80 S16 U8 -","4","0.5","CI6242","Doran, Michael B.; Norquist, Alexander J.; O'Hare, Dermot","Poly[[1,4-bis-(3-aminopropyl)piperazinium] [[dioxouranium(VI)]-di-μ~2~,μ~3~-sulfato]]","Acta Crystallographica Section E","2003","59","9","m762","m764","10.1107/S160053680301715X","","","0.71073","MoKα","","","0.023","","","0.0528","0.0528","","","","","","0.8872","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202540","11.3774","0.0006","12.4823","0.0007","18.437","0.001","90","","90","","90","","2618.4","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Morpholinium dihydrogen citrate dihydrate","","- C10 H19 N O9 -","- C10 H19 N O9 -","- C80 H152 N8 O72 -","8","1","CM6050","Chen, Can-Yu; Wei, Zan-Bin; Zhou, Zhao-Hui; Ng, Seik Weng","Morpholinium dihydrogen citrate hydrate","Acta Crystallographica Section E","2003","59","7","o1030","o1032","10.1107/S1600536803013874","","","0.71073","MoKα","","0.061","0.055","","","0.139","0.143","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202553","16.621","0.005","9.004","0.005","31.494","0.005","90","0.005","90","0.005","90","0.005","4713","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-(N-Phenyl-2,2'-iminodiethanoxy)diphthalonitrile","","- C26 H19 N5 O2 -","- C26 H19 N5 O2 -","- C208 H152 N40 O16 -","8","1","CV6201","Ocak, Nazan; Aǧar, Ayşen; Akdemir, Nesuhi; Aǧar, Erbil; García-Granda, S.; Erdönmez, Ahmet","4,4'-(<i>N</i>-Phenyl-2,2'-iminodiethanoxy)diphthalonitrile","Acta Crystallographica Section E","2003","59","7","o1000","o1001","10.1107/S1600536803013400","","","1.5418","CuKα","","0.0969","0.0443","","","0.1044","0.1376","","","","","","1.009","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202554","10.748","0.0002","8.328","0.0001","27.9084","0.0004","90","","90","","90","","2498.06","0.07","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2-Oxopyrrolidin-1-yl)carbonylmethyl]-2,3-dihydro-1H-isoindole-1,3-dione","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C112 H96 N16 O32 -","8","1","CV6202","Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D. P.; Piplani, P.; Linden, Anthony","2-[(2-Oxopyrrolidin-1-yl)carbonylmethyl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione: an antiamnesic agent","Acta Crystallographica Section E","2003","59","7","o1012","o1013","10.1107/S1600536803013679","","","0.71073","MoKα","","0.0869","0.0465","","","0.1097","0.1285","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202592","12.882","0.0006","12.116","0.0005","30.7987","0.0013","90","","90","","90","","4807","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzoyl-5,8-dimethoxy-2-phenyl-5,8-dihydroindolizine","","- C30 H25 N O4 -","- C30 H25 N O4 -","- C240 H200 N8 O32 -","8","1","CV6243","Hoong-Kun Fun; Yun Li; Jian-Hua Xu; Xue-Mei Li; Shu-Sheng Zhang","1,3-Dibenzoyl-5,8-dimethoxy-2-phenyl-5,8-dihydroindolizine","Acta Crystallographica Section E","2003","59","12","o1901","o1902","10.1107/S1600536803023195","","","0.71073","MoKα","","0.0534","0.0441","","","0.1286","0.1431","","","","","","0.789","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202618","13.0331","0.0019","15.61","0.003","16.514","0.003","90","","90","","90","","3359.7","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine","","- C18 H21 N5 -","- C18 H21 N5 -","- C144 H168 N40 -","8","1","DN6096","Marie-Rose Spirlet; Amaury Graulich; Jean-Francois Liégeois","8-Methyl-6-(4-methylpiperazin-1-yl)-11<i>H</i>-pyrido[2,3-<i>b</i>][1,4]benzodiazepine","Acta Crystallographica Section E","2003","59","12","o1990","o1991","10.1107/S1600536803026448","","","0.71073","MoKα","","0.1365","0.0498","","","0.0839","0.1058","","","","","","0.919","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202677","12.958","0.003","24.556","0.005","25.753","0.006","90","","90","","90","","8195","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C47 H44.5 N3 O2.75 -","- C47 H44.5 N3 O2.75 -","- C376 H356 N24 O22 -","8","1","LH6073","Li, Xiao-Fang; Feng, Ya-Qing; Hu,Xiao-Fen; Wang, Guan","1-Benzyl-5-(1-naphthylmethylene)piperidinespiro-3,3'-1'-methyl-4'-(1-naphthyl)pyrrolidinespiro-2',3''-indole-2'',4-dione‒diethyl ether (1/0.75)","Acta Crystallographica Section E","2003","59","7","o1025","o1027","10.1107/S1600536803013825","","","0.71073","MoKα","","0.1289","0.0618","","","","0.188","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2202711","13.2668","0.0006","9.184","0.0005","24.471","0.001","90","","90","","90","","2981.6","0.2","173.2","","173.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H24 Cl2 N2 O2 -","- C9 H24 Cl2 N2 O2 -","- C72 H192 Cl16 N16 O16 -","8","1","LH6115","Thomas Q. Hu; Brian O. Patrick; David A. Osmond; Brian R. James","4-Ammonio-1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium dichloride monohydrate","Acta Crystallographica Section E","2003","59","10","o1584","o1585","10.1107/S160053680302097X","","","0.7107","MoKα","","0.0546","0.033","","0.0812","","0.0812","","","1.104","","","1.104","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202729","13.1317","0.0009","15.709","0.001","28.594","0.002","90","","90","","90","","5898.5","0.7","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(η^8^-Cyclooctatetraenyl)(2,2'',4,4'',6,6''-hexamethyl-μ- terphenyl-κC^2'^)(tetrahydrofuran-κO)thulium(III)","","- C36 H41 O Tm -","- C36 H41 O Tm -","- C288 H328 O8 Tm8 -","8","1","LH6136","Rabe, Gerd W.; Zhang-Preße, Mei; Golen, James A.; Rheingold, Arnold L.","(η^8^-Cyclooctatetraene)(2,2'',4,4'',6,6''-hexamethyl-<i>m</i>-terphenyl-κ<i>C</i>^2'^)(tetrahydrofuran-κ<i>O</i>)thulium(III)","Acta Crystallographica Section E","2003","59","12","m1102","m1103","10.1107/S1600536803025005","","","0.71073","MoKα","","0.0468","0.0286","","","0.0641","0.072","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202730","24.959","0.002","11.951","0.001","9.192","0.002","90","","90","","90","","2741.8","0.7","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","catena-Poly[benzylmethylammonium [[diaquadichloromanganese(II)]-μ-chloro]]]","catena-Poly[benzylmethylammonium [[diaquadichloromanganese(II)]-μ-chloro]]]","","- C8 H16 Cl3 Mn N O2 -","- C8 H16 Cl3 Mn N O2 -","- C64 H128 Cl24 Mn8 N8 O16 -","8","1","LH6138","Maris, Thierry; Zouari, Ridha","<i>catena</i>-Poly[benzylmethylammonium [[diaquadichloromanganate(II)]-μ-chloro]]","Acta Crystallographica Section E","2003","59","12","m1201","m1203","10.1107/S160053680302659X","","","0.71069","MoKα","","0.0705","0.0473","","","0.1161","0.1269","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202750","12.6914","0.0002","11.7483","0.0002","17.4988","0.0002","90","","90","","90","","2609.11","0.07","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-butylimidazolium-3-(n-butanesulfonate)","","- C11 H20 N2 O3 S -","- C11 H20 N2 O3 S -","- C88 H160 N16 O24 S8 -","8","1","NA6254","Pringle, Jennifer M.; Forsyth, Craig. M.; Forsyth, Maria; MacFarlane, Douglas R.","The zwitterion 1-butylimidazolium-3-(<i>n</i>-butanesulfonate)","Acta Crystallographica Section E","2003","59","11","o1759","o1761","10.1107/S1600536803023043","","","0.71073","MoKα","","0.083","0.0528","","","0.1287","0.1453","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202756","9.817","0.002","11.043","0.003","15.819","0.004","90","","90","","90","","1714.9","0.7","120","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Benzylammonium nitrate","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C56 H80 N16 O24 -","8","1","NA6260","Rademeyer, Melanie","Benzylammonium nitrate","Acta Crystallographica Section E","2003","59","11","o1860","o1861","10.1107/S1600536803024243","","","0.71073","MoKα","","0.0876","0.0685","","","0.1604","0.1716","","","","","","1.293","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202836","10.482","0.003","11.026","0.003","13.146","0.004","90","","90","","90","","1519.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(N,N-dimethylethylenediamine)copper(II) oxalate dihydrate","","- C10 H28 Cu N4 O6 -","- C10 H28 Cu N4 O6 -","- C40 H112 Cu4 N16 O24 -","4","0.5","OM6144","Bian, He-Dong; Xu, Jing-Yuan; Gu, Wen; Yan, Shi-Ping; Liao, Dai-Zheng; Jiang, Zong-Hui","Bis(<i>N,N</i>'-dimethylethylenediamine)copper(II) oxalate dihydrate","Acta Crystallographica Section E","2003","59","7","m441","m442","10.1107/S1600536803011929","","","0.71073","MoKα","","0.0422","0.028","","","0.0677","0.0754","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202862","8.356","0.003","17.406","0.005","19.052","0.006","90","","90","","90","","2771","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Phenylbenzenepentanenitrile","","- C17 H17 N -","- C17 H17 N -","- C136 H136 N8 -","8","1","OM6172","Li, Jie; Li, Chun-Bao; Shao, Qi-Yun","2,5-Diphenylpentanenitrile","Acta Crystallographica Section E","2003","59","11","o1668","o1669","10.1107/S1600536803020178","","","0.71073","MoKα","","0.0982","0.0555","","","","0.1426","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202943","10.5125","0.0008","8.3836","0.0005","11.2817","0.0009","90","","90","","90","","994.29","0.12","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Br2 O4 -","- C8 H10 Br2 O4 -","- C32 H40 Br8 O16 -","4","0.5","WN6160","Echeverría, Gustavo A.; Goeta, Andrés; Barón, Máximo; Punte, Graciela","<i>trans</i>-1,4-Dibromocyclohexane-1,4-dicarboxylic acid","Acta Crystallographica Section E","2003","59","7","o959","o961","10.1107/S160053680301239X","","","0.71073","MoKα","","0.0363","0.0265","","","0.0709","0.0773","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203011","8.0088","0.0011","14.3163","0.0016","22.103","0.003","90","","90","","90","","2534.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","1","YA6162","Kazak, Canan; Göker, Hakan; Íde, Semra","2-Acetylphenyl 5-methylthiophene-2-carboxylate","Acta Crystallographica Section E","2003","59","9","o1362","o1363","10.1107/S160053680301167X","","","0.71073","MoKα","","0.16","0.043","","","0.085","0.112","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203026","6.8359","0.001","9.3875","0.0013","16.5518","0.0014","90","","90","","90","","1062.2","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Na2 O10 Zn -","- C6 H8 Na2 O10 Zn -","- C24 H32 Na8 O40 Zn4 -","4","0.5","YA6178","Dong-Dong Lin; Li Zhang; Duan-Jun Xu","Poly[disodium bis(μ-malonato)zincate(II) dihydrate]","Acta Crystallographica Section E","2003","59","11","m1010","m1012","10.1107/S1600536803022153","","","0.71073","MoKα","","0.026","0.023","","","0.055","0.056","","","","","","1.17","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203094","10.3841","0.0013","10.0409","0.0013","21.911","0.003","90","","90","","90","","2284.6","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(2-pyridyl)benzo[1,2-d-4,5-d']diimidazole","","- C13 H9 N5 -","- C13 H9 N5 -","- C104 H72 N40 -","8","1","OB6328","Lin, Xiao-Ju; Li, Yi-Zhi; Xu, Hai-Jun; Liu, Sheng-Gui; Xu, Li; Shen, Zhen; You, Xiao-Zeng","2-(2-Pyridyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']diimidazole","Acta Crystallographica Section E","2004","60","1","o77","o78","10.1107/S1600536803028113","","","0.71073","MoKα","","0.1052","0.0615","","","0.1313","0.1461","","","","","","1.026","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203136","10.8756","0.0004","8.939","0.0003","31.227","0.001","90","","90","","90","","3035.79","0.18","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(2R*,5S*)-Bicyclic chloromethyl phosphonamide","(1R*,3aS*)-1-(chloromethyl)-1λ^5^-phospha-2,6a-diazaperhydropentalene 1-oxide dihydrate","","- C12 H20 Cl N2 O3 P -","- C12 H20 Cl N2 O3 P -","- C96 H160 Cl8 N16 O24 P8 -","8","1","AC6070","Chen, Dimei; Zhong, Ping; Ding, Jinchang; Yuan, Chengye","(1<i>RS</i>,3a<i>SR</i>)-1-(chloromethyl)-1λ^5^-phospha-2,6a-diazaperhydropentalene 1-oxide dihydrate","Acta Crystallographica Section E","2004","60","2","o237","o238","10.1107/S1600536803025546","","","0.71073","MoKα","","0.053","0.0438","","","0.1215","0.1283","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203174","8.5131","0.0006","31.862","0.002","12.1757","0.0006","90","","90","","90","","3302.6","0.4","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C144 H128 N48 O16 -","8","1","CV6257","Dilovan S. Cati; Helen Stoeckli-Evans","An orthorhombic polymorph of <i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)pyrazine-2,3-dicarboxamide","Acta Crystallographica Section E","2004","60","2","o210","o212","10.1107/S160053680400008X","","","0.71073","MoKα","","0.0437","0.0315","","","0.0744","0.0785","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203213","10.5582","0.0005","19.5961","0.0008","24.003","0.0011","90","","90","","90","","4966.2","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Triphenylphenacylphosphonium hydrogenmaleate","Benzoylmethyltriphenylphosphonium hydrogenmaleate","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C240 H200 O40 P8 -","8","1","OB6335","Mahimaidoss Baby Mariyatra; Elinor C. Spencer; Krishanaswamy Panchanatheswaran; Judith A.K. Howard","Benzoylmethyltriphenylphosphonium hydrogen maleate: supramolecular layer formation due to C—H···O interactions","Acta Crystallographica Section E","2004","60","2","o162","o164","10.1107/S1600536803029404","","","0.71073","MoKα","","0.0622","0.0407","","","0.0936","0.1061","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203224","16.866","0.003","12.704","0.005","10.41","0.002","90","","90","","90","","2230.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-chlorobenzylidene)-amino]-phenol","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","RN6011","Kazak, Canan; Aygün, Muhittin; Turgut, Günseli; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan; Kahveci, Nermin","4-[(4-Chlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2004","60","2","o252","o253","10.1107/S1600536804001138","","","0.71069","MoKα","","0.0888","0.0629","","","0.1556","0.193","","","","","","1.107","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203229","7.723","0.007","14.255","0.001","22.53","0.002","90","","90","","90","","2480","2","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3H)-one","","- C14 H7 Cl F N O3 -","- C14 H7 Cl F N O3 -","- C112 H56 Cl8 F8 N8 O24 -","8","1","SU6070","Abdullah Aydın; Tijen Önkol; Mehmet Akkurt; Orhan Büyükgüngör; Serdar Ünlü","5-Chloro-6-(2-fluorobenzoyl)-1,3-benzoxazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2004","60","2","o244","o245","10.1107/S1600536804001011","","","0.71073","MoKα","","0.0637","0.0317","","","0.0683","0.0727","","","","","","0.858","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203232","13.113","0.003","9.999","0.003","18.474","0.003","90","","90","","90","","2422.3","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","dimethoxyphenylthiocarbamate","O-(3,5-dimethoxyphenyl)-N,N-dimethylthiocarbamate","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C88 H120 N8 O24 S8 -","8","1","TK6147","Vande Velde, Christophe M. L.; Geise, Herman J.; Blockhuys, Frank","<i>O</i>-(3,5-Dimethoxyphenyl) <i>N,N</i>-dimethylthiocarbamate","Acta Crystallographica Section E","2004","60","2","o199","o200","10.1107/S1600536804000467","","","0.71073","MoKα","","0.118","0.034","","","0.078","0.097","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203308","5.6755","0.0001","25.5102","0.0005","26.5536","0.0005","90","","90","","90","","3844.51","0.12","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(4-Bromophenyl)-3-phenyl-1-(3-phenylpropyl)-1H-pyrazole","","- C24 H21 Br N2 -","- C24 H21 Br N2 -","- C192 H168 Br8 N16 -","8","1","LH6163","Low, John N.; Cobo, Justo; Arroyabe, Frank; Torres, Harlen; Abonia, Rodrigo; Glidewell, Christopher","5-(4-Bromophenyl)-3-phenyl-1-(3-phenylpropyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2004","60","3","o324","o326","10.1107/S1600536804001874","","","0.71073","MoKα","","0.0531","0.0326","","","0.0717","0.0783","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203339","16.3204","0.0012","17.8489","0.0013","18.6636","0.0014","90","","90","","90","","5436.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","99348z","","","- C19 H41 Cl N4 O6 Zn2 -","- C19 H41 Cl N4 O6 Zn2 -","- C152 H328 Cl8 N32 O48 Zn16 -","8","1","OM6209","McCowan, C. Shawn; Carrie E. Buss; Victor G. Young Jr; McDonnell, Ryan J.; Caudle, M. Tyler","Chloro(diethylamino)tris(μ-diethylcarbamato)dizinc(II): an example of the generality of the threefold paddlewheel structure in carbamatozinc chemistry","Acta Crystallographica Section E","2004","60","3","m285","m287","10.1107/S1600536804002193","","","0.71073","MoKα","","0.0362","0.0232","","","0.0526","0.0564","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203358","15.423","0.002","19.0022","0.0009","7.6423","0.0007","90","","90","","90","","2239.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H8 Mo4 N2 O13 -","- Mo4 N2 O13 -","- Mo32 N16 O104 -","8","1","WM6011","Alexander Briceño; Reinaldo Atencio","[(NH~4~)~2~(Mo~4~O~13~)]~<i>n~</i>: a novel two-dimensional polyoxomolybdate(VI) framework","Acta Crystallographica Section E","2004","60","3","i47","i49","10.1107/S160053680400385X","","","0.71073","MoKα","","0.0397","0.0374","","","0.1025","0.1042","","","","","","1.242","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203407","11.6618","0.0009","8.8584","0.0007","19.163","0.002","90","","90","","90","","1979.6","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","anti-1-(Benzylamino)glyoxime","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C72 H88 N24 O16 -","8","1","CV6275","Yavuz Köysal; Şamil Işık; Nursabah Sarıkavaklı; Fatih Erduran","<i>anti</i>-1-(Benzylamino)glyoxime","Acta Crystallographica Section E","2004","60","4","o515","o516","10.1107/S1600536804004799","","","0.71073","MoKα","","0.0733","0.0341","","","0.0776","0.0853","","","","","","0.799","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203412","9.552","0.003","8.028","0.002","22.715","0.007","90","","90","","90","","1741.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-p-chlorophenyl acrylamide","N-(4-chlorophenyl)-acrylamide","","- C9 H8 Cl N O -","- C9 H8 Cl N O -","- C72 H64 Cl8 N8 O8 -","8","1","CV6280","Huo, Fang-Jun; Wu, Wei-Wei; Yin, Cai-Xia; Guo, Wei; Xia, Chi-Zhong; Yang, Pin","<i>N</i>-(4-Chlorophenyl)acrylamide","Acta Crystallographica Section E","2004","60","4","o629","o630","10.1107/S1600536804006233","","","0.71073","MoKα","","0.0561","0.0467","","","0.1183","0.1259","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203431","8.699","0.002","12.983","0.002","16.712","0.002","90","","90","","90","","1887.4","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-phenyl-2-furamide","N-phenylfuran-2-carboxamide","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C88 H72 N8 O16 -","8","1","FL6090","Pavlović, Gordana; Tralić-Kulenović, Vesna; Popović, Zora","2-Furancarboxanilide","Acta Crystallographica Section E","2004","60","4","o631","o633","10.1107/S1600536804006245","","","0.71073","MoKα","","0.058","0.0504","","","0.1232","0.1295","","","","","","1.189","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203475","12.0008","0.0011","27.4501","0.0016","12.068","0.003","90","","90","","90","","3975.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,6-dichlorobenzylamino)-3-phenyl-5-p-tolyl-4H-1,2,4-triazole","","- C22 H18 Cl2 N4 -","- C22 H18 Cl2 N4 -","- C176 H144 Cl16 N32 -","8","1","NA6306","Dinçer, Muharrem; Özdemir, Namık; Bekircan, Olcay; Şaşmaz, Selami; Kolaylı, Sevgi; Karaoğlu, Şengül Alpay; Işık, Şamil","4-(2,6-Dichlorobenzylamino)-3-phenyl-5-<i>p</i>-tolyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2004","60","4","o651","o653","10.1107/S1600536804006452","","","0.71073","MoKα","","0.1642","0.0517","","","0.0844","0.0937","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203486","17.4705","0.0006","11.5964","0.0004","18.6412","0.0007","90","","90","","90","","3776.6","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Triisopropylphenyl isopropyl sulfone","","- C18 H30 O2 S -","- C18 H30 O2 S -","- C144 H240 O16 S8 -","8","1","OM6220","Sandrock, Paul B.; Meyers, Cal Y.; Rath, Nigam P.; Robinson, Paul D.","Isopropyl 2,4,6-triisopropylphenyl sulfone: an aryl sulfone with unusual atom deviations from the aromatic least-squares plane","Acta Crystallographica Section E","2004","60","4","o544","o546","10.1107/S1600536804004635","","","0.71073","MoKα","","0.065","0.047","","","0.125","0.134","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203576","11.0826","0.0003","12.1879","0.0003","20.7505","0.0005","90","","90","","90","","2802.85","0.12","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Ni O6 S2 -","- C9 H12 N4 Ni O6 S2 -","- C72 H96 N32 Ni8 O48 S16 -","8","1","CV6294","Jia-Geng Liu; Duan-Jun Xu","Diaqua(2,2'-diamino-4,4'-bi-1,3-thiazole)(malonato)nickel(II)","Acta Crystallographica Section E","2004","60","5","m541","m543","10.1107/S1600536804008013","","","0.71073","MoKα","","0.027","0.024","","","0.058","0.059","","","","","","1.084","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203595","20.027","0.001","18.774","0.001","29.771","0.002","90","","90","","90","","11193.5","1.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato- tetracobalt(II) diiodide diacetonitrile monohydrate","","- C48 H44 Co4 F6 I2 N10 O9 -","- C48 H44 Co4 F6 I2 N10 O9 -","- C384 H352 Co32 F48 I16 N80 O72 -","8","1","FL6099","Zhao, Hanhua; Bacsa, John; Kim R. Dunbar","Tetrakis(2,2'-bipyridine)tetra-μ~3~-hydroxo-di-μ-trifluoroacetato-tetracobalt(II) diiodide diacetonitrile monohydrate: a compound containing a tetranuclear `cubane'-type cobalt(II) core","Acta Crystallographica Section E","2004","60","5","m637","m640","10.1107/S1600536804008979","","","0.71073","MoKα","","0.0914","0.0582","","","0.1246","0.1388","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203729","9.255","0.004","10.161","0.004","16.188","0.005","90","","90","","90","","1522.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Anilinium nitrate","","- C6 H8 N2 O3 -","- C6 H8 N2 O3 -","- C48 H64 N16 O24 -","8","1","CI6376","Rademeyer, Melanie","Anilinium nitrate","Acta Crystallographica Section E","2004","60","6","o958","o960","10.1107/S1600536804010827","","","0.71073","MoKα","","0.1342","0.055","","","0.1319","0.1716","","","","","","1.055","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203772","13.001","0.003","23.211","0.003","27.01","0.008","90","","90","","90","","8151","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Dibenzylacetone-κO)(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)","","- C47 H36 O7 U -","- C47 H36 O7 U -","- C376 H288 O56 U8 -","8","1","HG6047","M. Alagar; S. Kannan; K. Rajagopal; V. Venugopal; R. V. Krishnakumar; M. Subha Nandhini; S. Natarajan","(Dibenzylacetone-κ<i>O</i>)(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O,O</i>')dioxouranium(VI)","Acta Crystallographica Section E","2004","60","6","m773","m775","10.1107/S1600536804011122","","","0.71073","MoKα","","0.203","0.0701","","","0.144","0.267","","","","","","1.033","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203778","10.099","0.005","16.315","0.007","18.593","0.008","90","","90","","90","","3063","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C128 H112 N48 O16 -","16","2","LH6207","Ling Xu; Guo-Cong Guo; Bing Liu; Ming-Lai Fu; Jin-Shun Huang","3-(1<i>H</i>-1,2,4-Triazol-4-yl)phenol","Acta Crystallographica Section E","2004","60","6","o1060","o1062","10.1107/S1600536804012152","","","0.71073","MoKα","","0.0594","0.0546","","","0.1167","0.119","","","","","","1.271","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203799","8.877","0.001","18.508","0.003","22.098","0.003","90","","90","","90","","3630.6","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate","","- C12 H20 Mn N2 O10 S -","- C12 H20 Mn N2 O10 S -","- C96 H160 Mn8 N16 O80 S8 -","8","1","OB6367","Hui Wu; Jun Zhou; Huizhen Yu; Leilei Lu; Zhou Xu; Yu Wan; Daqing Shi","Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate","Acta Crystallographica Section E","2004","60","6","m822","m824","10.1107/S1600536804011602","","","0.71073","MoKα","","0.051","0.0311","","","0.0653","0.0692","","","","","","0.892","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203847","16.6884","0.0007","10.9585","0.0005","22.0082","0.0009","90","","90","","90","","4024.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] N,N-dimethylformamide solvate]","","- C21 H19 Cu N3 O5 -","- C21 H19 Cu N3 O5 -","- C168 H152 Cu8 N24 O40 -","8","1","BR6151","Xin-Hua, Li; Hong-Ping, Xiao","<i>catena</i>-Poly[[[(2,2'-bipyridine)copper(II)]-μ-terephthalato] <i>N</i>,<i>N</i>-dimethylformamide solvate]","Acta Crystallographica Section E","2004","60","7","m898","m900","10.1107/S1600536804012784","","","0.71073","MoKα","","0.06","0.0516","","","0.1276","0.1332","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203873","13.369","0.005","15.31","0.005","14.69","0.005","90","","90","","90","","3006.7","1.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","CI6392","Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione","Acta Crystallographica Section E","2004","60","7","o1266","o1268","10.1107/S1600536804014989","","","0.71073","MoKα","","0.1576","0.0481","","","0.0685","0.089","","","","","","0.857","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203874","11.3829","0.0009","11.5359","0.0012","13.0358","0.001","90","","90","","90","","1711.8","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Cu N4 O6 -","- C12 H28 Cu N4 O6 -","- C48 H112 Cu4 N16 O24 -","4","0.5","CI6393","Uçar, İbrahim; Yeşilel, Okan Zafer; Bulut, Ahmet; Ölmez, Halis; Büyükgüngör, Orhan","Diaquabis(<i>N,N</i>-dimethylethylenediamine-κ^2^<i>N,N</i>')copper(II) squarate","Acta Crystallographica Section E","2004","60","7","m1025","m1027","10.1107/S1600536804015338","","","0.71073","MoKα","","0.0578","0.031","","","0.0782","0.0834","","","","","","0.867","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2203911","18.1209","0.0013","19.8137","0.0014","25.2396","0.0017","90","","90","","90","","9062.1","1.1","198","2","198","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,11-bis(formyl)-25,26,27,28-tetra-benzoxycalix[4]arene","5,11-bis(formyl)-25,26,27,28-tetra-benzoxycalix[4]arene","","- C58 H48 O6 -","- C58 H48 O6 -","- C464 H384 O48 -","8","1","LH6225","Andreas Decken; Pierre D. Harvey; Jasmin Douville","5,17-Diformyl-25,26,27,28-tetrabenzyloxycalix[4]arene: functionalization of the upper rim of a calix[4]arene","Acta Crystallographica Section E","2004","60","7","o1170","o1171","10.1107/S1600536804013595","","","0.71073","MoKα","","0.1479","0.0527","","","0.1401","0.1603","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203933","12.472","0.007","17.6737","0.0013","17.0718","0.0012","90","","90","","90","","3763","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Ethyl-5-(4-methoxybenzoyl-4-(4-methoxyphenyl)pyrimidine-2(1H)-thione","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C168 H160 N16 O24 S8 -","8","1","OB6369","Özçelik, Suzan; Dinçer, Muharrem; Yıldırım, İsmail; Akçamur Yunus","1-Ethyl-5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)pyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2004","60","7","o1123","o1125","10.1107/S1600536804012413","","","0.71073","MoKα","","0.0971","0.0479","","","0.0881","0.0972","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203953","12.7397","0.0008","15.6191","0.001","25.0173","0.0015","90","","90","","90","","4978","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]","","- C25 H25 Cl2 Cu N3 O4 -","- C25 H25 Cl2 Cu N3 O4 -","- C200 H200 Cl16 Cu8 N24 O32 -","8","1","TK6171","David J. Bray; Li-Ling Liao; Leonard F. Lindoy; John C. McMurtrie; Gang Wei","<i>catena</i>-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]","Acta Crystallographica Section E","2004","60","7","m918","m920","10.1107/S1600536804013315","","","0.71073","MoKα","","0.038","0.028","","","0.07","0.075","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203957","12.921","0.002","11.882","0.002","13.264","0.002","90","","90","","90","","2036.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichloro-N,N,N'-rimethylethylenediaminozinc","","- C5 H14 Cl2 N2 Zn -","- C5 H14 Cl2 N2 Zn -","- C40 H112 Cl16 N16 Zn8 -","8","1","WK6018","Johansson, Anna; Hakansson, Mikael","Dichloro(<i>N,N,N</i>'-trimethylethylenediamine)zinc(II)","Acta Crystallographica Section E","2004","60","7","m955","m957","10.1107/S160053680401390X","","","0.71073","MoKα","","0.05","0.04","","","0.093","0.098","","","","","","1.103","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2203964","9.794","0.005","7.388","0.003","26.946","0.012","90","","90","","90","","1949.8","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","trans-2-(2-Phenylethenyl)pyrazine","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","1","WN6258","Shi, Xue-Fang; Liu, Hui-Min; Zhang, Wen-Qin","<i>trans</i>-2-(2-Phenylethenyl)pyrazine","Acta Crystallographica Section E","2004","60","7","o1255","o1256","10.1107/S1600536804015107","","","0.71073","MoKα","","0.0751","0.0451","","","0.0905","0.1026","","","","","","1.092","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204014","18.5029","0.0011","10.6914","0.0007","21.3741","0.0013","90","","90","","90","","4228.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-Bis(p-methylphenyl)-2,2'-(m-phenylenedioxy)diacetamide","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","1","CV6345","Shu-Sheng Zhang; Yong-Hong Wen; Juan Liang; Xue-Mei Li","N,N'-Bis(p-methylphenyl)-2,2'-(m-phenylenedioxy)diacetamide","Acta Crystallographica, Section E","2004","60","8","o1388","o1389","10.1107/S1600536804017751","","","0.71073","MoKα","","0.122","0.085","","","0.2272","0.257","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204023","13.9369","0.0014","19.0631","0.0017","23.503","0.002","90","","90","","90","","6244.3","1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate","","- C13 H9 Cl4 O3 P -","- C13 H9 Cl4 O3 P -","- C208 H144 Cl64 O48 P16 -","16","2","FL6107","Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Wang, Ching T.; Moseley, Charles G.","2-[Dichloro(phenoxy)methyl]phenyl dichlorophosphonate","Acta Crystallographica Section E","2004","60","8","o1312","o1313","10.1107/S1600536804016290","","","0.71073","MoKα","","0.0325","0.0241","","","0.0604","0.0646","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204073","8.3813","0.0013","9.6623","0.0016","27.056","0.004","90","","90","","90","","2191.1","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","OB6390","Fei Gao; Caixia Yin; Pin Yang; Gang Xue","2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid","Acta Crystallographica, Section E","2004","60","8","o1327","o1328","10.1107/S1600536804016587","","","0.71073","MoKα","","0.0449","0.0406","","","0.1113","0.1146","","","","","","1.064","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204074","15.559","0.003","11.1768","0.0019","23.057","0.004","90","","90","","90","","4009.6","1.2","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3,7-trimethyl-9-(5,5-dimethyl-3-hydroxy-2-cyclohexene- 1-one-2-yl)-1-oxo-1,2,3,4,9,10-hexahydroxanthene","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","OB6392","Yu-Ling Li; Xiang-Shan Wang; Da-Qing Shi; Shu-Jiang Tu; Yong Zhang","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,7-trimethyl-1,2,3,4-hexahydro-9<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2004","60","8","o1439","o1441","10.1107/S1600536804018276","","","0.7107","MoKα","","0.0971","0.084","","","0.1611","0.1668","","","","","","1.258","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204089","12.178","0.002","14.414","0.003","23.357","0.005","90","","90","","90","","4099.9","1.4","100","2","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F3 N3 O6 Re S -","- C19 H13 F3 N3 O6 Re S -","- C152 H104 F24 N24 O48 Re8 S8 -","8","1","TK6168","Kayode Oshin; Arthur M. Landis; Bradley W. Smucker; David M. Eichhorn; D. Paul Rillema","<i>fac</i>-Bipyridyltricarbonyl(pyridine)rhenium(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2004","60","8","m1126","m1127","10.1107/S1600536804015016","","","0.71073","MoKα","","","0.033","","","","0.074","","","","","","1.03","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204156","10.0406","0.0015","13.42","0.002","15.04","0.002","90","","90","","90","","2026.6","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6-Styryl-pyran-2-one","Dehydrogoniothalamin","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","CV6351","Din, Laily B.; Abdullah, Aryanti; Tan, S. L.; Said, Ikram M.; Yamin, Bohari M.","Dehydrogoniothalamin","Acta Crystallographica Section E","2004","60","9","o1515","o1517","10.1107/S1600536804019087","","","0.71073","MoKα","","0.057","0.044","","","0.113","0.126","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204270","16.603","0.003","16.565","0.003","17.483","0.004","90","","90","","90","","4808.3","1.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,4-Dibenzoyl-2,5-dimethylpyrrole-N-(4-methoxy)benzamide","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","BT6513","Gao, Shan; Huo, Li- Hua; Zhao, Hui; Ng, Seik Weng","<i>N</i>-(3,4-Dibenzoyl-2,5-dimethylpyrrol-1-yl)-4-methoxybenzamide","Acta Crystallographica Section E","2004","60","10","o1733","o1735","10.1107/S1600536804021956","","","0.71073","MoKα","","0.1217","0.0618","","","0.1362","0.1667","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204329","13.248","0.003","8.5327","0.0017","19.858","0.004","90","","90","","90","","2244.8","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(μ-acetato-κ~2~O:O')bis[(3-hydroxypyridine-κN)copper]","","- C18 H22 Cu2 N2 O10 -","- C18 H22 Cu2 N2 O10 -","- C72 H88 Cu8 N8 O40 -","4","0.5","DN6158","Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui","Tetr-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(3-hydroxypyridine-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2004","60","10","m1405","m1407","10.1107/S1600536804021993","","","0.71073","MoKα","","0.0694","0.0431","","","0.0871","0.0952","","","","","","1.035","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204378","15.5021","0.0019","6.6902","0.0008","22.676","0.003","90","","90","","90","","2351.8","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7a,8,9,10-Tetrahydrobenzo[f]cyclopenta[b]chromen-10-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","RN6023","Huo, Fangjun; Yin, Caixia; Yang, Pin","7a,8,9,10-Tetrahydrobenzo[<i>f</i>]cyclopenta[<i>b</i>]chromen-10-one","Acta Crystallographica Section E","2004","60","10","o1671","o1673","10.1107/S1600536804021403","","","0.71073","MoKα","","0.0466","0.0369","","","0.0918","0.0983","","","","","","1.036","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204390","20.694","0.007","12.031","0.004","23.694","0.008","90","","90","","90","","5899","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H38 N2 -","- C37 H38 N2 -","- C296 H304 N16 -","8","1","SU6137","Liu, Qing-Xiang; Song, Hai-Bin","Bis[<i>N</i>-(9-anthrylmethyl)propylamino]methane","Acta Crystallographica Section E","2004","60","10","o1762","o1763","10.1107/S1600536804022172","","","0.71073","MoKα","","0.2116","0.0612","","","0.1328","0.1984","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204403","8.2319","0.0005","22.757","0.0015","14.6764","0.0008","90","","90","","90","","2749.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","WN6271","Erdem, Talip Kaya; Atalay,Şehriman; Akdemir, Nesuhi; Aǧar, Erbil; Kantar, Cihan","4-(2-Methoxy-4-methylphenoxy)phthalonitrile","Acta Crystallographica Section E","2004","60","10","o1849","o1850","10.1107/S160053680401894X","","","0.71073","MoKα","","0.0641","0.0432","","","0.1077","0.1172","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204410","8.534","0.004","16.122","0.006","22.481","0.009","90","","90","","90","","3093","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,5-dimethyl)phenyl-5-(4-ethyl)phenyl-1,3,4-oxadiazole","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C144 H144 N16 O8 -","8","1","WN6279","Chun-Hui Mao; Qing-Min Wang; Run-Qiu Huang; Li Chen; Jian Shang; Hai-Bin Song","2-(3,5-Dimethylphenyl)-5-(4-ethylphenyl)-1,3,4-oxadiazole","Acta Crystallographica Section E","2004","60","10","o1823","o1825","10.1107/S1600536804022020","","","0.71073","MoKα","","0.126","0.0591","","","0.1225","0.148","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204438","11.12","0.002","10.529","0.002","16.253","0.003","90","","90","","90","","1902.9","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-aminonaphthalene-2-sulfonic acid","5-ammonio-2-naphthalenesulfonate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C80 H72 N8 O24 S8 -","8","1","BT6536","Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White","Zwitterionic 5-amino-2-naphthalenesulfonic acid","Acta Crystallographica Section E","2004","60","11","o2014","o2016","10.1107/S1600536804025206","","","1.5418","CuKα","","0.0417","0.0392","","","0.1026","0.1046","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204484","10.776","0.002","13.283","0.003","20.89","0.004","90","","90","","90","","2990.1","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-5-carboxyimidazole- 4-carboxylato-κ^4^N^3^,O^4^:N^1^,O^5^]","","- C15 H10 Cd N4 O4 -","- C15 H10 Cd N4 O4 -","- C120 H80 Cd8 N32 O32 -","8","1","CV6398","Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua; Zhao, Hui","<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-5-carboxyimidazole-4-carboxylato-κ^4^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^1^,<i>O</i>^5^]","Acta Crystallographica Section E","2004","60","11","m1728","m1730","10.1107/S1600536804026844","","","0.71073","MoKα","","0.0211","0.0189","","","0.0533","0.0543","","","","","","1.029","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204533","11.0105","0.0007","13.6596","0.001","26.8832","0.0018","90","","90","","90","","4043.2","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dibenzophospholanic acid anhydride","bis(5-hydroxy-5-oxodibenzo-5H-phosphole) anhydride or 9,9'-oxydi(9-phosphafluoren-9-one)","","- C24 H16 O3 P2 -","- C24 H16 O3 P2 -","- C192 H128 O24 P16 -","8","1","LH6282","Andreas Decken; Erin D. Gill; Frank Bottomley","Dibenzophospholanic acid anhydride","Acta Crystallographica Section E","2004","60","11","o1935","o1936","10.1107/S1600536804024390","","","0.71073","MoKα","","0.0922","0.0505","","","0.1295","0.1424","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204570","16.8495","0.0009","12.1086","0.0009","12.357","0.0007","90","","90","","90","","2521.1","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans,trans,trans-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4- tetrahydronaphthalene","","- C10 H8 Br4 O2 -","- C10 H8 Br4 O2 -","- C80 H64 Br32 O16 -","8","1","SJ6017","Mehmet Akkurt; Ísmail Çelik; Ramazan Erenler; Osman Çakmak; Cem Cüneyt Ersanlı; Orhan Büyükgüngör","<i>trans,trans,trans</i>-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene","Acta Crystallographica Section E","2004","60","11","o2096","o2098","10.1107/S1600536804026042","","","0.71073","MoKα","","0.0724","0.0416","","","0.0732","0.0818","","","","","","1.016","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2204575","15.7845","0.0016","10.09","0.0013","18.629","0.003","90","","90","","90","","2967","0.7","296","1","296","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Se-Phenyl 3-(1H-indol-3-yl)selenoacrylate","","- C17 H13 N O Se -","- C17 H13 N O Se -","- C136 H104 N8 O8 Se8 -","8","1","TK6191","Meza, Rosa-Luisa; Quintero, Leticia; Bernès, Sylvain","<i>Se</i>-Phenyl 3-(1<i>H</i>-indol-3-yl)selenoacrylate","Acta Crystallographica Section E","2004","60","11","o1961","o1963","10.1107/S1600536804024687","","","0.71073","MoKα","","0.121","0.045","","","0.086","0.108","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204584","10.904","0.004","8.67","0.003","35.271","0.013","90","","90","","90","","3334","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Fluoro-N-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)- 2H-1,4-benzoxazin-6-yl]benzamide","","- C19 H14 F2 N2 O3 -","- C19 H14 F2 N2 O3 -","- C152 H112 F16 N16 O24 -","8","1","WN6284","Hou, Zhong-Ke; Ao, Cong-Cong; Song, Jian; Chen, Li-Gong","2-Fluoro-<i>N</i>-[7-fluoro-3,4-dihydro-2-methyl-3-oxo-4-(prop-2-ynyl)-2<i>H</i>-1,4-benzoxazin-6-yl]benzamide","Acta Crystallographica Section E","2004","60","11","o1957","o1958","10.1107/S1600536804024304","","","0.71073","MoKα","","0.0907","0.0543","","","","0.1371","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204593","18.1752","0.0001","13.6193","0.0009","18.487","0.0001","90","","90","","90","","4576.2","0.3","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1'-Methyl-4'-phenyl-9H-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''- 1H-indol-2''(3''H)-one","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C240 H192 N16 O8 -","8","1","WN6298","P.G.Aravindan; S.Selvanayagam; D.Velmurugan; K.Ravikumar; J. Jayashankaran; R.Raghunathan","1'-Methyl-4'-phenyl-<i>H</i>-fluorene-9-spiro-3'-pyrrolidine-2'-spiro-3''-1<i>H</i>-indol-2''(3''<i>H</i>)-one","Acta Crystallographica Section E","2004","60","11","o2152","o2154","10.1107/S1600536804026911","","","0.71073","MoKα","","0.1226","0.0805","","","0.1596","0.1786","","","","","","1.124","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2204641","8.0201","0.0009","12.098","0.0013","22.173","0.003","90","","90","","90","","2151.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one","7-Methoxy-2,3-dihydro-1H-cyclopenta[b]chromen-1-one","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","CI6480","Huo, Fangjun; Yin, Caixia; Yang, Pin","7-Methoxy-2,3-dihydro-1<i>H</i>-cyclopenta[<i>b</i>]chromen-1-one","Acta Crystallographica Section E","2004","60","12","o2278","o2280","10.1107/S1600536804028478","","","0.71073","MoKα","","0.0693","0.0576","","","0.1344","0.1434","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204651","11.0108","0.0006","7.8652","0.0004","27.999","0.001","90","","90","","90","","2424.8","0.2","105","2","105","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","CV6401","Arrieta, Antonio F.; Mostad, Arvid","5-(2-Furyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2004","60","12","o2444","o2446","10.1107/S1600536804030193","","","0.71073","MoKα","","0.0678","0.0302","","","0.0586","0.0615","","","","","","0.742","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204699","11.53","0.002","17.118","0.002","15.285","0.002","90","","90","","90","","3016.8","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","t-Butyl diphenylphosphinate","","- C16 H19 O2 P -","- C16 H19 O2 P -","- C128 H152 O16 P8 -","8","1","HG6097","I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard","<i>tert</i>-Butyl diphenylphosphinate","Acta Crystallographica Section E","2004","60","12","o2384","o2385","10.1107/S1600536804029435","","","0.71073","MoKα","","0.2419","0.0393","","","0.0872","0.142","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204721","10.0472","0.0004","11.309","0.0005","14.9321","0.0005","90","","90","","90","","1696.64","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[[diaquacobalt(II)]-μ-tartarato-κ^4^O,O':O'',O'''] monohydrate]","","- C4 H10 Co O9 -","- C4 H10 Co O9 -","- C32 H80 Co8 O72 -","8","1","IS6017","Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu","<i>catena</i>-Poly[[[diaquacobalt(II)]-μ-tartrato-κ^4^<i>O,O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]","Acta Crystallographica Section E","2004","60","12","m1982","m1984","10.1107/S1600536804030806","","","0.71073","MoKα","","0.035","0.03","","","0.072","0.074","","","","","","1.138","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204737","18.8439","0.0013","16.3922","0.0009","10.8561","0.0007","90","","90","","90","","3353.4","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N,N-Tris(3-methylphenyl)amine","","- C21 H21 N -","- C21 H21 N -","- C168 H168 N8 -","8","1","LH6300","Manifar, Touraj; Rohani, Sohrab; Jennings, Michael, C.","<i>N,N,N</i>-Tris(3-methylphenyl)amine","Acta Crystallographica Section E","2004","60","12","o2301","o2303","10.1107/S1600536804028247","","","0.71073","MoKα","","0.1799","0.0655","","","0.162","0.2203","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204822","10.553","0.012","8.948","0.01","30.84","0.03","90","","90","","90","","2912","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Chloro-10-(dimethoxymethyl)anthracene","","- C17 H15 Cl O2 -","- C17 H15 Cl O2 -","- C136 H120 Cl8 O16 -","8","1","WN6305","Wen-Bing Yuan; Lan Yan; Ru-Dong Yang","9-Chloro-10-(dimethoxymethyl)anthracene","Acta Crystallographica Section E","2004","60","12","o2447","o2448","10.1107/S1600536804030028","","","0.71073","MoKα","","0.1627","0.0713","","","0.1891","0.255","","","","","","0.952","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204859","14.271","0.0006","14.9228","0.0006","29.8597","0.0012","90","","90","","90","","6359","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4,10,16,21-Pentaaza-7,13,24-triazoniabicyclo[8.8.8]hexacosane monohydrate clathrate trichloride hexahydrate","","- C18 H59 Cl3 N8 O7 -","- C18 H59 Cl3 N8 O7 -","- C144 H472 Cl24 N64 O56 -","8","1","CI6496","Farrell, David; McKee, Vickie; Nelson, Jane","1,4,10,16,21-Pentaaza-7,13,24-triazoniabicyclo[8.8.8]hexacosane monohydrate clathrate trichloride hexahydrate","Acta Crystallographica Section E","2005","61","1","o81","o83","10.1107/S1600536804032088","","","0.71073","MoKα","","0.0554","0.0376","","","0.0897","0.1023","","","","","","1.034","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204860","12.872","0.002","9.282","0.003","24.761","0.007","90","","90","","90","","2958.4","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","1","CI6497","S. M. Malathy Sony; P. Charles; M. N. Ponnuswamy; H. S. Yathirajan","Valdecoxib, a non-steroidal anti-inflammatory drug","Acta Crystallographica Section E","2005","61","1","o108","o110","10.1107/S1600536804032118","","","0.71073","MoKα","","0.1534","0.0554","","","0.1378","0.1788","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204890","14.3214","0.0014","24.855","0.002","29.709","0.003","90","","90","","90","","10575.2","1.7","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickel(II) methanol hexasolvate dihydrate","","- C106 H112 K2 N16 Ni7 O20 -","- C106 H112 K2 N16 Ni7 O20 -","- C424 H448 K8 N64 Ni28 O80 -","4","0.5","HB6126","Skovgaard, Signe; Bond, Andrew D.; McKenzie, Christine J.","Dipotassium hexakis({2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)) tetracyanonickelate(II) methanol hexasolvate dihydrate","Acta Crystallographica Section E","2005","61","1","m135","m137","10.1107/S160053680403154X","","","0.7107","MoKα","","0.1476","0.0547","","","0.1138","0.1451","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204895","23.5075","0.0013","13.9199","0.001","11.531","0.008","90","","90","","90","","3773","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,6-Dichlorobenzylamino)-3,5-diphenyl-4H-1,2,4-triazole","","- C21 H16 Cl2 N4 -","- C21 H16 Cl2 N4 -","- C168 H128 Cl16 N32 -","8","1","HG6107","Atalay, Şehriman; Yavuz, Metin; Bekircan, Olcay; Alpay Karaoǧlu, Şengül; Şahinbaş, Esra; Şaşmaz, Selami","4-(2,6-Dichlorobenzylamino)-3,5-diphenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2005","61","1","o90","o92","10.1107/S1600536804032179","","","0.71073","MoKα","","0.0912","0.0356","","","0.0688","0.0791","","","","","","0.752","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204899","10.0407","0.0016","17.007","0.003","30.197","0.005","90","","90","","90","","5156.5","1.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,6-Trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1H)-thione","","- C13 H16 N2 S -","- C13 H16 N2 S -","- C208 H256 N32 S16 -","16","2","IS6010","Yamin, Bohari M.; Kasim, Noor Azilah M.; Hamzah, Noraini","4,4,6-Trimethyl-1-phenyl-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","1","o55","o57","10.1107/S1600536804031320","","","0.71073","MoKα","","0.0641","0.0581","","","0.1598","0.1638","","","","","","1.131","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204960","14.1068","0.0009","9.5526","0.0006","21.1298","0.0013","90","","90","","90","","2847.4","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C136 H128 Cl8 N8 O8 -","8","1","RZ6035","Ravikumar, K.; Sridhar, B.; Mahesh, M.; Narayana Reddy, V. V.","A diastereoisomer of furo[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2005","61","1","o195","o197","10.1107/S1600536804033550","","","0.71073","MoKα","","0.0629","0.0564","","","0.1456","0.1503","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204964","10.4","0.007","9.117","0.006","32.09","0.02","90","","90","","90","","3043","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","isoprothiolane","diisopropyl (1,3-dithiolan-2-ylidene)malonate","","- C12 H18 O4 S2 -","- C12 H18 O4 S2 -","- C96 H144 O32 S16 -","8","1","SJ6026","Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.","Diisopropyl (1,3-dithiolan-2-ylidene)malonate","Acta Crystallographica Section E","2005","61","1","o3","o5","10.1107/S1600536804030934","","","0.71073","MoKα","","0.1248","0.09","","","0.1882","0.2052","","","","","","1.224","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205034","15.113","0.002","15.692","0.002","16.806","0.002","90","","90","","90","","3985.6","0.9","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^O)potassium chlorochromate","","- C12 H24 Cl Cr K O9 -","- C12 H24 Cl Cr K O9 -","- C96 H192 Cl8 Cr8 K8 O72 -","8","1","CV6410","Kotlyar, Sergei A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Chuprin, Gennady N.; Kiriyak, Andrey V.; Kamalov, Gerbert L.","(18-Crown-6)potassium chlorochromate","Acta Crystallographica Section E","2005","61","2","m293","m295","10.1107/S1600536805000085","","","0.71073","MoKα","","","0.0816","","","","0.2526","","","","","","0.909","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205049","16.6509","0.0003","9.7336","0.0002","8.9989","0.0003","90","","90","","90","","1458.48","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","creatininium nitrate","","","- C4 H8 N4 O4 -","- C4 H8 N4 O4 -","- C32 H64 N32 O32 -","8","1","DN6185","Fadila, Berrah; Hanane, Lamraoui; Nourredine, Benali-Cherif","Hydrogen bonding in creatininium nitrate","Acta Crystallographica Section E","2005","61","2","o210","o212","10.1107/S1600536804032349","","","0.71073","MoKα","","0.0641","0.04","","","0.1001","0.1098","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205085","24.002","0.004","10.9833","0.0017","24.364","0.003","90","","90","","90","","6422.9","1.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sildenafil citrate monohydrate","1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)- 4-ethoxyphenyl]sulfonyl}-4-methylpiperazinium citrate monohydrate","","- C28 H40 N6 O12 S -","- C28 H40 N6 O12 S -","- C224 H320 N48 O96 S8 -","8","1","HG6131","Yathirajan, Hemmige S.; Basavegowda, Nagaraj; Nagaraja, Padmarajaiah; Bolte, Michael","Sildenafil citrate monohydrate","Acta Crystallographica Section E","2005","61","2","o489","o491","10.1107/S1600536805002564","","","0.71073","MoKα","","0.1743","0.0785","","","0.1364","0.1543","","","","","","0.782","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205092","9.5485","0.0016","8.2197","0.0013","25.94","0.004","90","","90","","90","","2035.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Acetyl-3'-chloroacetanilide","N-(3-chlorophenyl)-3-oxobutanamide","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C80 H80 Cl8 N8 O16 -","8","1","IS6034","Tai, Xi-Shi; Liu, Wan-Yi; Liu, Yan-Zhen; Li, Yi-Zhi","2-Acetyl-3'-chloroacetanilide","Acta Crystallographica Section E","2005","61","2","o389","o390","10.1107/S1600536805001145","","","0.71073","MoKα","","0.0844","0.0413","","","0.0678","0.0748","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205114","9.695","0.002","17.266","0.004","23.543","0.004","90","","90","","90","","3941","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","β-Methyl-γ-bis(N,O-8-quinolinoxy)germa-γ-lactone","","- C22 H18 Ge N2 O4 -","- C22 H18 Ge N2 O4 -","- C176 H144 Ge8 N16 O32 -","8","1","LH6346","Mahboob, Sumera; Parvez, Masood; Mazhar, Muhammad; Ali, Saqib","β-Methyl-γ,γ-bis(8-quinolinoxy)germa-γ-lactone","Acta Crystallographica Section E","2005","61","2","m358","m360","10.1107/S1600536805001455","","","0.71073","MoKα","","0.066","0.04","","","0.093","0.107","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205135","7.4853","0.0017","13.449","0.003","22.653","0.005","90","","90","","90","","2280.5","0.9","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-(1SR,8RS,10RS)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene","","- C11 H9 Br3 -","- C11 H9 Br3 -","- C88 H72 Br24 -","8","1","OB6464","Ersanlı, Cem Cüneyt; Çoruh, Ufuk; Tuncer, Hökelek; Vázquez-López, Ezequiel M.; Arif, Daştan","(±)-(1<i>SR</i>,8<i>RS</i>,10<i>RS</i>)-9,9,10-Tribromotricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene","Acta Crystallographica Section E","2005","61","2","o263","o265","10.1107/S1600536805000255","","","0.71073","MoKα","","0.0863","0.0326","","","0.059","0.0662","","","","","","0.817","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205138","14.996","0.001","13.597","0.001","25.156","0.002","90","","90","","90","","5129.3","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]copper(II)","","- C26 H30 Br2 Cu N2 O2 -","- C26 H30 Br2 Cu N2 O2 -","- C208 H240 Br16 Cu8 N16 O16 -","8","1","OB6467","Yang, De-Suo","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]copper(II)","Acta Crystallographica Section E","2005","61","2","m249","m250","10.1107/S1600536805000280","","","0.71073","MoKα","","0.0705","0.0431","","","0.1043","0.1169","","","","","","1.032","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205155","6.824","0.003","11.887","0.006","25.224","0.01","90","","90","","90","","2046.1","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate","","- C8 H10 N4 O5 -","- C8 H10 N4 O5 -","- C64 H80 N32 O40 -","8","1","SU6151","Moghimi, Abolghasem; Aghabozorg, Hossein; Soleimannejad, Janet; Ramezanipour, Farshid","Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate","Acta Crystallographica Section E","2005","61","2","o442","o444","10.1107/S1600536805001121","","","0.71073","MoKα","","0.0814","0.0562","","","0.1247","0.1333","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205161","7.576","0.001","13.3","0.002","30.306","0.002","90","","90","","90","","3053.7","0.6","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)","","- C15 H17 N5 Ni O -","- C15 H17 N5 Ni O -","- C120 H136 N40 Ni8 O8 -","8","1","SU6160","Sun, Yu-Xi; Gao, Gen-Zhi; Zhang, Rui; Pei, Hong-Xia","Azido[1-(isobutylaminomethyliminomethyl)-2-naphtholato]nickel(II)","Acta Crystallographica Section E","2005","61","2","m397","m398","10.1107/S1600536805001881","","","0.71073","MoKα","","0.0534","0.0433","","","0.1134","0.1208","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205180","9.5294","0.0009","8.4805","0.0008","33.362","0.003","90","","90","","90","","2696.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Oxo-2-phenylethyl morpholine-4-carbodithioate","","- C13 H15 N O2 S2 -","- C13 H15 N O2 S2 -","- C104 H120 N8 O16 S16 -","8","1","WN6317","Liang-Zhong Xu; Kai Li; Guan-Ping Yu; Guo-Dong Si; Cheng-Long Yu","2-Oxo-2-phenylethyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2005","61","2","o215","o216","10.1107/S1600536804033999","","","0.71073","MoKα","","0.0525","0.0268","","","0.0645","0.0957","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205183","13.4346","0.0008","11.4998","0.0007","16.6055","0.001","90","","90","","90","","2565.5","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-ene-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","WN6322","Sathiya Moorthi, S.; Chinnakali, K.; Nanjundan, S.; Radhika, R.; Fun, Hoong-Kun; Yu, Xiao-Lan","1-(4-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","2","o480","o482","10.1107/S1600536805001698","","","0.71073","MoKα","","0.0516","0.044","","","0.1193","0.126","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205193","19.4776","0.0016","14.0453","0.0011","21.1035","0.0017","90","","90","","90","","5773.3","0.8","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(butane-1,4-diammonium) bis(hydrogenphosphato)pentamolybdate monohydrate,","","- C8 H32 Mo5 N4 O24 P2 -","- C8 H32 Mo5 N4 O24 P2 -","- C64 H256 Mo40 N32 O192 P16 -","8","1","AC6148","Shailesh Upreti; A. Ramanan","Butane-1,4-diammonium diphosphopentamolybdate: a new inorganic‒organic hybrid solid","Acta Crystallographica Section E","2005","61","3","m414","m416","10.1107/S1600536805001856","","","0.71073","MoKα","","0.0273","0.0269","","","0.0747","0.0751","","","","","","1.283","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205228","15.532","0.004","11.119","0.003","23.247","0.005","90","","90","","90","","4014.8","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-tert-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane","","- C21 H35 N O2 -","- C21 H35 N O2 -","- C168 H280 N8 O16 -","8","1","CF6403","Batsanov, Andrei S.; Reid, Alistair J.; Cameron, Neil","2-<i>tert</i>-Butoxy-1-phenyl-1-(2,2,6,6-tetramethylpiperidin-1-yloxy)ethane","Acta Crystallographica Section E","2005","61","3","o716","o717","10.1107/S1600536805004976","","","0.71073","MoKα","","0.0451","0.0389","","","0.1064","0.1144","","","","","","1.064","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205289","10.0156","0.0002","12.0767","0.0002","20.6483","0.0005","90","","90","","90","","2497.52","0.09","260","2","260","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-dinitrobenzoic acid DMSO solvate","3,5-dinitrobenzoic acid‒dimethyl sulfoxide (1/1)","","- C9 H10 N2 O7 S -","- C9 H10 N2 O7 S -","- C72 H80 N16 O56 S8 -","8","1","JH6000","Abthorpe, M.; Trask, A. V.; Jones, W.","3,5-Dinitrobenzoic acid‒dimethyl sulfoxide (1/1)","Acta Crystallographica Section E","2005","61","3","o609","o611","10.1107/S1600536805003818","","","0.71073","MoKα","","0.0666","0.0454","","","0.1201","0.134","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205345","17.16","0.009","11.68","0.006","18.274","0.01","90","","90","","90","","3663","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-methyl-1-phenylsulfonyl-1H-indole","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C176 H152 N8 O16 S8 -","8","1","RZ6040","S. M. Malathy Sony; K. Palani; P. Charles; M. N. Ponnuswamy; N. Sureshbabu; P. C. Srinivasan; M. Nethaji","3-Benzyl-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2005","61","3","o521","o523","10.1107/S1600536805002825","","","0.71073","MoKα","","0.0542","0.0448","","","0.1332","0.1426","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205419","10.603","0.0006","9.778","0.0006","25.203","0.002","90","","90","","90","","2612.9","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxysalicylaldehyde benzoylhydrazone","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","BT6624","Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng","3-Hydroxysalicylaldehyde benzoylhydrazone","Acta Crystallographica Section E","2005","61","4","o1013","o1014","10.1107/S1600536805007555","","","0.71073","MoKα","","0.0825","0.04","","","0.1021","0.1243","","","","","","0.992","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205422","6.7936","0.0009","16.988","0.002","21.515","0.003","90","","90","","90","","2483","0.6","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(5,6-Dihydroxy-2-methyl-1-benzofuran-3-yl) phenyl ketone","","- C16 H12 O4 -","- C16 H12 O4 -","- C128 H96 O32 -","8","1","BT6628","Pei, Li-Xi; Bu, Xian-Zhang; Gu, Lian-Quan; Ng, Seik Weng","(5,6-Dihydroxy-2-methyl-1-benzofuran-3-yl) phenyl ketone","Acta Crystallographica Section E","2005","61","4","o1081","o1082","10.1107/S1600536805008408","","","0.71073","MoKα","","0.049","0.037","","","0.103","0.114","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205505","11.366","0.0007","21.4096","0.0012","12.9034","0.0011","90","","90","","90","","3139.9","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6- methylimidazo[2,1-b][1,3]thiazole-5-carboxamide monohydrate","","- C12 H16 N4 O3 S2 -","- C12 H16 N4 O3 S2 -","- C96 H128 N32 O24 S16 -","8","1","HG6147","Sema Öztürk Yıldırım; Mehmet Akkurt; Fusun Ur; Zafer Cesur; Nesrin Cesur; Orhan Büyükgüngör","<i>N</i>-(2,2-Dimethyl-4-oxo-1,3-thiazolidin-3-yl)-6-methylimidazo[2,1-<i>b</i>][1,3]thiazole-5-carboxamide monohydrate","Acta Crystallographica Section E","2005","61","4","o892","o894","10.1107/S1600536805006525","","","0.71073","MoKα","","0.086","0.0549","","","0.166","0.1783","","","","","","1.075","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205531","12.485","0.004","13.666","0.004","25.801","0.008","90","","90","","90","","4402","2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-Diphenyl-5,5'-[o-phenylenebis(methylenethio)]di-1H-tetrazole","","- C22 H18 N8 S2 -","- C22 H18 N8 S2 -","- C176 H144 N64 S16 -","8","1","KP6048","Luo, Xiao-Lan; Wang, Wei; Ma, Guo-Chun; Zhang, Wen-Qin","1,1'-Diphenyl-5,5'-[<i>o</i>-phenylenebis(methylenethio)]di-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2005","61","4","o1161","o1162","10.1107/S1600536805009219","","","0.71073","MoKα","","0.0949","0.0513","","","0.111","0.1375","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205540","7.3437","0.0004","17.944","0.001","21.34","0.001","90","","90","","90","","2812.1","0.3","295","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-Bromo-1H-indole-3-carbaldehyde 2-thienoylhydrazone","","- C14 H10 Br N3 O S -","- C14 H10 Br N3 O S -","- C112 H80 Br8 N24 O8 S8 -","8","1","LH6375","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Lajis, Nordin Hj.; Basirun, Wan Jefri; Zain, Sharifuddin M.; Ng, Seik Weng","5-Bromo-1<i>H</i>-indole-3-carbaldehyde 2-thienoylhydrazone","Acta Crystallographica Section E","2005","61","4","o914","o915","10.1107/S1600536805006616","","","0.71073","MoKα","","0.082","0.053","","","0.131","0.151","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205554","20.203","0.005","17.021","0.006","9.643","0.003","90","","90","","90","","3316","1.8","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Succinimido 4-(N-maleimidomethyl)cyclohexanecarboxylate","2,5-dioxo-3-pyrrolidin-1-yl 4-[(2,5-dioxo-3-pyrrolin-1-yl)methyl]cyclohexanecarboxylate","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C128 H144 N16 O48 -","8","1","LH6393","Christopher L. Brown; Sarah J. Atkinson; Peter C. Healy","Succinimido 4-(<i>N</i>-maleimidomethyl)cyclohexanecarboxylate","Acta Crystallographica Section E","2005","61","4","o1203","o1204","10.1107/S1600536805009074","","","0.7107","MoKα","","0.1201","0.0425","","","0.1063","0.132","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205571","10.044","0.002","7.2816","0.0015","25.006","0.005","90","","90","","90","","1828.8","0.6","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Cu2Br4(mu-O-Py-NO2)2","Bis(μ-4-nitropyridine N-oxide-κ^2^O:O)bis[bromocopper(II)]","","- C10 H8 Br4 Cu2 N4 O6 -","- C10 H8 Br4 Cu2 N4 O6 -","- C40 H32 Br16 Cu8 N16 O24 -","4","0.5","OM6228","Twamley, Brendan","Bis(μ-4-nitropyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[dibromocopper(II)]","Acta Crystallographica Section E","2005","61","4","m619","m621","10.1107/S1600536805005441","","","0.71073","MoKα","","0.0542","0.0443","","","0.1074","0.1142","","","","","","1.073","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205690","17.3586","0.0019","9.8854","0.0011","26.324","0.003","90","","90","","90","","4517.1","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^N,N'-[aqua(2-sulfonatobenzoato- κ^2^O,O')copper(II)]] N,N-dimethylformamide]","","- C22 H23 Cu N3 O7 S -","- C22 H23 Cu N3 O7 S -","- C176 H184 Cu8 N24 O56 S8 -","8","1","CV6491","Hong-Ping Xiao; Qian Shi; Ya-Qian Cheng","<i>catena</i>-Poly[[μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>,<i>N</i>'-[aqua(2-sulfonatobenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)]] <i>N</i>,<i>N</i>-dimethylformamide]<i></i>","Acta Crystallographica Section E","2005","61","5","m907","m909","10.1107/S1600536805011475","","","0.71073","MoKα","","0.1033","0.0936","","","0.1658","0.1698","","","","","","1.417","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205698","10.4874","0.001","12.1216","0.0014","16.3091","0.0016","90","","90","","90","","2073.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(2-furyl)-3-phenyl-2-propen-1-one","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","1","DN6214","Ocak Ískeleli, Nazan; Işık, Şamil; Özdemir, Zuhal; Bilgin, Altan","1-(2-Furyl)-3-phenyl-2-propen-1-one","Acta Crystallographica Section E","2005","61","5","o1278","o1279","10.1107/S1600536805010615","","","0.71073","MoKα","","0.108","0.0402","","","0.0658","0.0793","","","","","","0.843","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205775","11.8053","0.001","15.6404","0.0015","22.432","0.002","90","","90","","90","","4141.8","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-Amino-3,3,6,6-tetramethyl-9-(4-bromophenyl)-3,4,5,6,9,10-hexahydroacridine- 1,8(2H,7H)-dione","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C184 H216 Br8 N16 O16 -","8","1","OB6497","Shu-Jiang Tu; Jin-Peng Zhang; Xiao-Tong Zhu; Jia-Ning Xu; Qian Wang","10-Amino-9-(4-bromophenyl)-3,3,6,6-tetramethyl-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","5","o1491","o1493","10.1107/S160053680501202X","","","0.7107","MoKα","","0.0473","0.0423","","","0.0993","0.1018","","","","","","1.163","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205816","9.807","0.007","9.193","0.006","26.607","0.017","90","","90","","90","","2399","3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chloro-4,4'-dimethoxybiphenyl","","- C14 H13 Cl O2 -","- C14 H13 Cl O2 -","- C112 H104 Cl8 O16 -","8","1","TK6213","Ting-Feng, Tan; Jian-Xin, Zhang; Ji-Ben, Meng","An asymmetric biphenyl compound: 3-chloro-4,4'-dimethoxybiphenyl","Acta Crystallographica Section E","2005","61","5","o1210","o1211","10.1107/S1600536805009323","","","0.71073","MoKα","","0.114","0.063","","","0.109","0.131","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205832","7.133","0.003","22.536","0.008","7.056","0.003","90","","90","","90","","1134.2","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Cu N10 O2 -","- C4 H16 Cu N10 O2 -","- C16 H64 Cu4 N40 O8 -","4","0.5","WN6348","Su, Ying-Lan; Lu, Li-Ping; Li, Xue-Mei; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate","Acta Crystallographica Section E","2005","61","5","m910","m912","10.1107/S160053680501127X","","","0.71073","MoKα","","0.0465","0.0403","","","0.0923","0.096","","","","","","1.195","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205839","9.8745","0.0007","17.3467","0.0011","21.7544","0.0014","90","","90","","90","","3726.3","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(1,10-phenanthroline)(μ~4~-4-sulfonatobenzoato)lead(II) hydrate]","","- C19 H14 N2 O6 Pb S -","- C19 H12 N2 O6 Pb S -","- C152 H96 N16 O48 Pb8 S8 -","8","1","XU6002","Zhang, Li-Ping; Zhu, Long-Guan; Xiao, Hong-Ping","Poly[(1,10-phenanthroline-κ^2^<i>N,N</i>')lead(II) μ~4~-(4-sulfonatobenzoato-κ^4^<i>O,O</i>':O'',<i>O</i>''' hydrate]","Acta Crystallographica Section E","2005","61","5","m860","m862","10.1107/S1600536805010925","","","0.71073","MoKα","","0.047","0.032","","","0.066","0.071","","","","","","1.012","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2205856","16.823","0.004","7.179","0.002","19.847","0.005","90","","90","","90","","2397","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Allyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","BH6001","Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Kolesnik, Elena V.","1-Allyl-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2005","61","6","o1833","o1835","10.1107/S1600536805015175","","","0.71073","MoKα","","0.1559","0.0471","","","0.1099","0.1322","","","","","","0.846","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205895","14.979","0.003","13.609","0.003","25.164","0.005","90","","90","","90","","5129.7","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(5-bromo-N-cyclohexylsalicylideneaminato)nickel(II)","","- C26 H30 Br2 N2 Ni O2 -","- C26 H30 Br2 N2 Ni O2 -","- C208 H240 Br16 N16 Ni8 O16 -","8","1","CI6575","Sun, Yu-Xi; Yang, Guang; Chen, Guang; Sun, Min; Zhang, Hong-Lin","Bis(5-bromo-<i>N</i>-cyclohexylsalicylideneaminato)nickel(II): an orthorhombic polymorph","Acta Crystallographica Section E","2005","61","6","m1103","m1104","10.1107/S1600536805014339","","","0.71073","MoKα","","0.0977","0.0488","","","0.1155","0.138","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205898","8.5129","0.0013","30.047","0.004","11.1308","0.0018","90","","90","","90","","2847.1","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","CI6579","Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim","2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol","Acta Crystallographica Section E","2005","61","6","o1712","o1714","10.1107/S1600536805014418","","","0.71073","MoKα","","0.1699","0.0494","","","0.0707","0.0965","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205902","7.806","0.002","9.901","0.003","29.307","0.008","90","","90","","90","","2265.1","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Nitrophenyl)-1H-benzimidazole","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C104 H72 N24 O16 -","8","1","CI6588","Xue-Mei Li; Li-Ping Du; Ying Li; Shu-Sheng Zhang","2-(2-Nitrophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2005","61","6","o1902","o1903","10.1107/S1600536805016417","","","0.71073","MoKα","","0.0567","0.0438","","","0.1047","0.1129","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205910","10.8458","0.0006","17.0539","0.0009","25.9179","0.0013","90","","90","","90","","4793.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]- μ-cyano-[dicyanoplatinum(II)]-μ-cyano]","","- C16 H28 Ba N4 O8 Pt -","- C16 H28 Ba N4 O8 Pt -","- C128 H224 Ba8 N32 O64 Pt8 -","8","1","CV6494","Olmstead, Marilyn M.; Lee, Moses A.; Stork, Jay R.","<i>catena</i>-Poly[[diaqua(1,4,7,10,13,16-hexaoxacyclooctadecane)barium(II)]-μ-cyano-[dicyanoplatinum(II)]-μ-cyano]","Acta Crystallographica Section E","2005","61","6","m1048","m1050","10.1107/S1600536805013887","","","0.71073","MoKα","","0.0291","0.018","","","0.0356","0.0394","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206001","28.83","0.005","10.896","0.002","8.879","0.002","90","","90","","90","","2789.2","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Nafazatrom","3-methyl-1-[2-(2-naphthyloxy)ethyl]-1H-pyrazol-5-ol","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","LH6412","Hempel, Andrew; Camerman, Norman; Camerman, Arthur; Mastropaolo, Donald","The enol form of nafazatrom","Acta Crystallographica Section E","2005","61","6","o1544","o1545","10.1107/S1600536805012766","","","1.54178","CuKα","","0.1502","0.0469","","","0.1135","0.1759","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206018","14.6729","0.0005","17.8962","0.0006","16.2619","0.0003","90","","90","","90","","4270.2","0.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-di-2-thienylpentane-1,5-dione","","- C23 H19 Cl N2 O2 S2 -","- C23 H19 Cl N2 O2 S2 -","- C184 H152 Cl8 N16 O16 S16 -","8","1","LH6436","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher","3-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)-1,5-di-2-thienylpentane-1,5-dione: centrosymmetric dimers formed by C—H···π(thiophene) hydrogen bonds","Acta Crystallographica Section E","2005","61","6","o1892","o1894","10.1107/S1600536805015886","","","0.71073","MoKα","","0.0886","0.0456","","","0.1006","0.1172","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206047","11.3184","0.001","7.6823","0.0007","16.8656","0.0012","90","","90","","90","","1466.5","0.2","298","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-aminophenylacetic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","RZ6070","Sandra Gracin; Michael Svärd; Andreas Fischer","4-Aminophenylacetic acid","Acta Crystallographica Section E","2005","61","6","o1536","o1537","10.1107/S1600536805012754","","","0.71073","MoKα","","0.0865","0.0589","","","0.1147","0.1332","","","","","","1.159","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206058","12.726","0.004","11.629","0.004","13.705","0.005","90","","90","","90","","2028.2","1.2","295","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-bromo-5-methylthiophen-2-yl)pyridine","","- C10 H8 Br N S -","- C10 H8 Br N S -","- C80 H64 Br8 N8 S8 -","8","1","SJ6067","Xu, Fengying; Chen, Zihui; Zhang, Fushi; Wang, Ru-Ji; Zhao, Fuqun","4-(4-Bromo-5-methylthiophen-2-yl)pyridine","Acta Crystallographica Section E","2005","61","6","o1672","o1673","10.1107/S160053680501425X","","","0.71073","MoKα","","0.0976","0.0486","","","0.0831","0.0979","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206081","7.9131","0.0005","13.572","0.0008","25.0065","0.0014","90","","90","","90","","2685.6","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]copper(II)]- μ-chloro]","","- C13 H10 Br Cl Cu N2 O -","- C13 H10 Br Cl Cu N2 O -","- C104 H80 Br8 Cl8 Cu8 N16 O8 -","8","1","SU6197","Sun, Yu-Xi; Gao, Yi-Zhen; Zhang, Hong-Lin; Kong, De-Sheng; Yu, You","<i>catena</i>-Poly[[[4-bromo-2-(2-pyridylmethyliminomethyl)phenolato]copper(II)]-μ-chloro]","Acta Crystallographica Section E","2005","61","6","m1055","m1057","10.1107/S1600536805013401","","","0.71073","MoKα","","0.0696","0.0372","","","0.0784","0.0847","","","","","","0.854","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206098","11.857","0.002","7.1867","0.0014","32.253","0.007","90","","90","","90","","2748.4","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Methoxystyryl)-2H-1,4-benzoxazin-2-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C136 H104 N8 O24 -","8","1","WN6351","Yan-Chao Wu; Hai-Bin Song; Li Liu; Dong Wang; Yong-Jun Chen","3-(4-Methoxystyryl)-2<i>H</i>-1,4-benzoxazin-2-one","Acta Crystallographica Section E","2005","61","6","o1590","o1591","10.1107/S1600536805013772","","","0.71073","MoKα","","0.1039","0.0483","","","0.126","0.1401","","","","","","0.83","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206099","7.2873","0.0015","18.657","0.004","30.047","0.006","90","","90","","90","","4085.2","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2'-bis(1-phenyl-1H-tetrazole-5-ylsulfanyl) ether","","- C18 H18 N8 O S2 -","- C18 H18 N8 O S2 -","- C144 H144 N64 O8 S16 -","8","1","WN6352","Wei Wang; Bing Zhao; Wen-Qin Zhang","2,2'-Bis(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl) ether","Acta Crystallographica Section E","2005","61","6","o1639","o1640","10.1107/S1600536805013784","","","0.71073","MoKα","","0.1139","0.0585","","","0.0973","0.1187","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206166","11.5192","0.0018","7.3222","0.0011","20.048","0.003","90","","90","","90","","1691","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-N-Methyl-1H-1,2,4-triazole-4-amino-5-mercapto-1,2,4-triazole","","- C5 H7 N7 S -","- C5 H7 N7 S -","- C40 H56 N56 S8 -","8","1","CV6521","Xu, Liang-Zhong; Yu, Guan-Ping; Xu, Feng-Ling; Li, Wei-Hua","4-Amino-3-(1,2,4-triazol-1-yl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","7","o2061","o2062","10.1107/S1600536805017587","","","0.71073","MoKα","","0.0478","0.0312","","","0.074","0.0832","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206218","17.534","0.001","15.616","0.001","21.394","0.002","90","","90","","90","","5857.9","0.7","153.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 Fe O2 P2 -","- C30 H30 F6 Fe O2 P2 -","- C240 H240 F48 Fe8 O16 P16 -","8","1","IS6084","Hiroshi Nakazawa; Masumi Itazaki; Mari Owaribe","Dicarbonyl(η^5^-pentamethylcyclopentadienyl)(triphenylphosphine)iron(II) hexafluorophosphate","Acta Crystallographica Section E","2005","61","7","m1275","m1276","10.1107/S1600536805017344","","","0.7107","MoKα","","","0.0632","","","","0.1762","","","","","","1.113","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206240","13.392","0.0007","16.4043","0.0006","15.1901","0.001","90","","90","","90","","3337.1","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","α-Tris(2,4-pentanedionato-κ^2^O,O')vanadium(III)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C120 H168 O48 V8 -","8","1","LH6448","Kavitha, S. Jose; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","The α polymorph of racemic tris(2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')vanadium(III), redetermined at 120 K","Acta Crystallographica Section E","2005","61","7","m1326","m1328","10.1107/S1600536805018441","","","0.71073","MoKα","","0.156","0.0575","","","0.1045","0.1347","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206244","7.022","0.001","13.667","0.002","15.192","0.002","90","","90","","90","","1458","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-acetyl-5-hydroxyphenolato-κ^2^O,O')copper(II)","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C64 H56 Cu4 O24 -","4","0.5","LH6458","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","Bis(2-acetyl-5-hydroxyphenolato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2005","61","7","m1429","m1430","10.1107/S160053680501980X","","","0.71073","MoKα","","0.062","0.036","","","0.104","0.117","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206267","11.5212","0.0018","7.9018","0.0012","30.551","0.005","90","","90","","90","","2781.3","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C96 H144 N32 O24 -","8","1","RZ6079","Li-Rong Wen; Zi-Qin Ke; Bo Qu; Ming Li","Ethyl 3-[(1,5-dimethylpyrazol-4-yl)carbonylhydrazino]butyrate","Acta Crystallographica Section E","2005","61","7","o2018","o2019","10.1107/S160053680501679X","","","0.71073","MoKα","","0.0718","0.0513","","","0.1447","0.1556","","","","","","0.992","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206283","11.9182","0.0005","16.5293","0.0007","21.1391","0.0009","90","","90","","90","","4164.4","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]","","- C21 H16 O7 Zn2 -","- C21 H16 O7 Zn2 -","- C168 H128 O56 Zn16 -","8","1","SG6015","Yang, Shi-Yao; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","<i>catena</i>-Poly[[tri-μ~2~-benzoato-dizinc(II)]-μ~2~-hydroxy]","Acta Crystallographica Section E","2005","61","7","m1340","m1342","10.1107/S1600536805018404","","","0.71073","MoKα","","0.069","0.051","","","0.119","0.129","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206309","9.801","0.003","15.549","0.004","26.142","0.007","90","","90","","90","","3983.9","1.9","273","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]benzonitrile","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C192 H152 N24 O16 -","8","1","WK6050","Xu-Feng Liu; Zeng-Pei Zhong; Zun-Le Xu","4-[4,5-Bis(4-methoxyphenyl)-1<i>H</i>-imidazol-2-yl]benzonitrile","Acta Crystallographica Section E","2005","61","7","o1976","o1977","10.1107/S1600536805016946","","","0.71073","MoKα","","","0.0541","","","","0.1296","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206324","16.5457","0.0009","16.7931","0.0009","22.4135","0.0012","90","","90","","90","","6227.7","0.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Tris{2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)iron(II) diperchlorate acetonitrile solvate","","- C23 H33 Cl2 Fe N11 O8 -","- C23 H33 Cl2 Fe N11 O8 -","- C184 H264 Cl16 Fe8 N88 O64 -","8","1","XU6015","Chen, Hong-Mei; Yang, Shi-Ping; Chen, Qiong-Qiong; Chen, Jia-Min; Yu, Xi-Bin","(Tris{2-[(1-methylimidazol-2-yl)methylimino]ethyl}amine)iron(II) diperchlorate acetonitrile solvate","Acta Crystallographica Section E","2005","61","7","m1277","m1279","10.1107/S1600536805017083","","","0.71073","MoKα","","0.078","0.053","","","0.15","0.163","","","","","","0.989","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206334","7.8929","0.0008","29.415","0.004","12.4679","0.0014","90","","90","","90","","2894.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,3,5-Trimethylphenoxy)phthalonitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","1","AT6019","Akbal, Tufan; Akdemir, Nesuhi; Ağar, Erbil; Kantar, Cihan; Erdönmez, Ahmet","4-(2,3,5-Trimethylphenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","8","o2630","o2631","10.1107/S1600536805022592","","","0.71073","MoKα","","0.082","0.036","","","0.089","0.1","","","","","","0.8","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206335","14.2841","0.0014","8.3753","0.0005","22.353","0.002","90","","90","","90","","2674.2","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-(2-Bromo-4-chlorophenoxy)phthalonitrile","","- C14 H6 Br Cl N2 O -","- C14 H6 Br Cl N2 O -","- C112 H48 Br8 Cl8 N16 O8 -","8","1","AT6020","Atalay, Şehriman; Ocak Ískeleli, Nazan; Ağar, Erbil; Akdemir, Nesuhi","4-(2-Bromo-4-chlorophenoxy)phthalonitrile","Acta Crystallographica Section E","2005","61","8","o2654","o2655","10.1107/S1600536805021057","","","0.71073","MoKα","","0.112","0.057","","","0.123","0.144","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206336","14.929","0.005","8.2223","0.0016","18.737","0.006","90","","90","","90","","2300","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)ethoxy] ether","","- C20 H22 N8 O2 S2 -","- C20 H22 N8 O2 S2 -","- C80 H88 N32 O8 S8 -","4","0.5","AT6021","Wei Wang; Bing Zhao; Peng-Wu Zheng; Xue-Min Duan","Bis[2-(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl)ethoxy] ether","Acta Crystallographica Section E","2005","61","8","o2623","o2624","10.1107/S160053680502249X","","","0.71073","MoKα","","0.091","0.044","","","1.101","0.128","","","","","","1.01","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2206396","7.8486","0.0013","6.8254","0.0012","28.771","0.005","90","","90","","90","","1541.3","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-dibenzoylpiperazine","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","0.5","CV6540","Zheng, Peng-Wu; Wang, Wei; Duan, Xue-Min","<i>N</i>,<i>N</i>'-Dibenzoylpiperazine","Acta Crystallographica Section E","2005","61","8","o2513","o2514","10.1107/S160053680502088X","","","0.71073","MoKα","","0.0576","0.0382","","","0.0941","0.1062","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2206416","14.206","0.004","14.015","0.004","22.639","0.006","90","","90","","90","","4507","2","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexacarbonyl-bis(μ~2~-2-methoxyphenylthiolato)diiron(I)(Fe—Fe)","","- C20 H14 Fe2 O8 S2 -","- C20 H14 Fe2 O8 S2 -","- C160 H112 Fe16 O64 S16 -","8","1","ER6017","Si, You-Tao; Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Chang-Neng","Hexacarbonylbis(μ~2~-2-methoxyphenylthiolato)diiron(I)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2005","61","8","m1447","m1448","10.1107/S1600536805020313","","","0.71073","MoKα","","","0.032","","","0.0858","0.0877","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206424","9.41","0.001","12.605","0.001","23.229","0.002","90","","90","","90","","2755.3","0.4","303","2","303","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-trans-Bromo-5-cis-fluoro-2,6,6-trimethyl-2-phenyltetrahydropyran","","- C14 H18 Br F O -","- C14 H18 Br F O -","- C112 H144 Br8 F8 O8 -","8","1","FL6180","Hartung, Jens; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","3-<i>trans</i>-Bromo-5-<i>cis</i>-fluoro-2,6,6-trimethyl-2-phenyltetrahydropyran","Acta Crystallographica Section E","2005","61","8","o2770","o2771","10.1107/S1600536805023913","","","0.71073","MoKα","","0.1133","0.0733","","","0.1661","0.1878","","","","","","1.197","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206451","12.959","0.005","10.908","0.005","23.797","0.005","90","","90","","90","","3364","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]non-4-yl)imidazo[2,1-b][1,3]thiazole- 5-carboxamide monohydrate","","- C14 H18 N4 O3 S2 -","- C14 H18 N4 O3 S2 -","- C112 H144 N32 O24 S16 -","8","1","HK6020","Sema Öztürk Yıldırım; Mehmet Akkurt; Fusun Ur; Zafer Cesur; Nesrin Cesur; Frank W. Heinemann","6-Methyl-<i>N</i>-(3-oxo-1-thia-4-azaspiro[4.4]non-4-yl)imidazo[2,1-<i>b</i>][1,3]thiazole-5-carboxamide monohydrate","Acta Crystallographica Section E","2005","61","8","o2357","o2359","10.1107/S1600536805020088","","","0.71069","MoKα","","0.052","0.0345","","","0.0702","0.0762","","","","","","1.036","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206499","8.7063","0.0012","14.7402","0.0016","24.965","0.002","90","","90","","90","","3203.8","0.6","292","1","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-Poly[[[(acetonitrile-κN)silver(I)]-μ-[bis(pyrimidin-2- ylsulfanyl)methane-κ^2^N^1^:N^1'^] tetrafluoroborate]","","- C11 H11 Ag B F4 N5 S2 -","- C11 H11 Ag B F4 N5 S2 -","- C88 H88 Ag8 B8 F32 N40 S16 -","8","1","NG6148","Hou, Bao-Hong; Zhou, Li-Na; Wei, Hong-Yuan; Wang, Jing-Kang; Chen, Wei","<i>catena</i>-Poly[[[(acetonitrile-κ<i>N</i>)silver(I)]-μ-bis(pyrimidin-2-ylsulfanyl)methane-κ^2^<i>N</i>^1^:<i>N</i>^1'^] tetrafluoroborate]","Acta Crystallographica Section E","2005","61","8","m1658","m1659","10.1107/S1600536805019288","","","0.71073","MoKα","","0.0696","0.0431","","","0.1059","0.1273","","","","","","1.181","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206569","14.114","0.003","5.5098","0.001","25.621","0.005","90","","90","","90","","1992.4","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4,6-Dichloro-[1,3,5]triazin-2-yl)-phenyl-amine","","- C9 H6 Cl2 N4 -","- C9 H6 Cl2 N4 -","- C72 H48 Cl16 N32 -","8","1","WK6055","Tao Zeng; Chuan-Ming Dong; Xue-Gui Shu","<i>N</i>-(4,6-Dichloro-1,3,5-triazin-2-yl)aniline","Acta Crystallographica Section E","2005","61","8","o2334","o2335","10.1107/S1600536805020386","","","0.71073","MoKα","","0.0803","0.0541","","","0.1016","0.1112","","","","","","1.132","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206595","18.0634","0.0016","15.1108","0.0013","18.8377","0.0017","90","","90","","90","","5141.8","0.8","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 4,8-dioxo-2,6-diphenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a- hexaazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C26 H28 N6 O6 -","- C26 H28 N6 O6 -","- C208 H224 N48 O48 -","8","1","WW6409","Yin, Guo-Dong; Chen, Yun-Feng; Zhou, Bao-Han; Wu, An-Xin","Diethyl 4,8-dioxo-2,6-diphenyl-1,3,5,7-tetrahydro-2,3a,4a,6,7a,8a-hexaazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2005","61","8","o2467","o2469","10.1107/S1600536805021525","","","0.71073","MoKα","","0.079","0.0574","","","0.1528","0.1805","","","","","","1.178","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206608","12.503","0.005","9.894","0.004","26.88","0.01","90","","90","","90","","3325","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu N3 O3 -","- C17 H17 Cu N3 O3 -","- C136 H136 Cu8 N24 O24 -","8","1","XU6030","Liu, Ming-Li; Dou, Jian-Min; Wang, Da-Qi; Li, Da-Cheng","[1-Acetylacetone (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)","Acta Crystallographica Section E","2005","61","8","m1662","m1664","10.1107/S1600536805023639","","","0.71073","MoKα","","0.149","0.067","","","0.156","0.22","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206654","14.86","0.003","13.56","0.002","24.959","0.005","90","","90","","90","","5029.3","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","","- C26 H30 Cl2 Co N2 O2 -","- C26 H30 Cl2 Co N2 O2 -","- C208 H240 Cl16 Co8 N16 O16 -","8","1","CI6623","Li, Zong-Xiao; Zhang, Xin-Li","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","Acta Crystallographica Section E","2005","61","9","o2806","o2807","10.1107/S1600536805024384","","","0.71073","MoKα","","0.0727","0.0345","","","0.0631","0.069","","","","","","0.846","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206659","14.848","0.002","13.567","0.002","24.993","0.005","90","","90","","90","","5034.7","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)","","- C26 H30 Cl2 N2 O2 Zn -","- C26 H30 Cl2 N2 O2 Zn -","- C208 H240 Cl16 N16 O16 Zn8 -","8","1","CI6629","Li, Zong-Xiao; Zhang, Xin-Li","Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","9","m1755","m1756","10.1107/S1600536805025250","","","0.71073","MoKα","","0.0899","0.0373","","","0.0661","0.0746","","","","","","0.901","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206678","13.1389","0.0003","25.6885","0.0005","31.1822","0.0007","90","","90","","90","","10524.6","0.4","295","1","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","di-μ-aqua-1:2κ^4^O:O-triaqua-1κ^3^O-dilosartanido-1κN;2κ^2^N,N'- dipotassium dihydrate","","- C22 H29 Cl K N6 O4.5 -","- C22 H29 Cl K N6 O4.5 -","- C352 H464 Cl16 K16 N96 O72 -","16","2","DN6239","Xiu-Rong Hu; Yun-Wu Wang; Jian-Ming Gu","Losartan potassium 3.5-hydrate, a new crystalline form","Acta Crystallographica Section E","2005","61","9","m1686","m1688","10.1107/S1600536805024001","","","0.7107","MoKα","","","0.054","","","","0.124","","","","","","1.023","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2206707","13.7829","0.0011","12.5247","0.001","18.2985","0.0014","90","","90","","90","","3158.8","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(N,N-dimethylbenzylamine)pentacarbonyltungsten","","- C14 H13 N O5 W -","- C14 H13 N O5 W -","- C112 H104 N8 O40 W8 -","8","1","HG6224","Mahmud, Tariq; Iqbal, Javed; Irshad, Muhammad; Elsegood, Mark R. J.; McKee, Vickie","Pentacarbonyl(<i>N</i>,<i>N</i>-dimethylbenzylamine)tungsten","Acta Crystallographica Section E","2005","61","9","m1789","m1791","10.1107/S1600536805025560","","","0.71073","MoKα","","0.0701","0.0329","","","0.06","0.0737","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206728","9.6272","0.0009","15.0692","0.0014","21.286","0.0019","90","","90","","90","","3088","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ethyl 2,5-diphenylfuran-3-carboxylate","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","IS6110","Meng, Xiang-Gao; Wu, An-Xin","Ethyl 2,5-diphenylfuran-3-carboxylate","Acta Crystallographica Section E","2005","61","9","o2808","o2809","10.1107/S1600536805024554","","","0.71073","MoKα","","0.0586","0.0428","","","0.1079","0.1186","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206759","10.6042","0.0003","20.1157","0.0008","25.9795","0.0008","90","","90","","90","","5541.7","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(1H-benzimidazole-κN^3^)(thiodiacetato-κ^3^O,S,O')cadmium(II) dihydrate","","- C25 H26 Cd N6 O6 S -","- C25 H26 Cd N6 O6 S -","- C200 H208 Cd8 N48 O48 S8 -","8","1","NG6172","Tian-Tian Pan; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cadmium(II) dihydrate","Acta Crystallographica Section E","2005","61","9","m1735","m1737","10.1107/S1600536805024086","","","0.71069","MoKα","","0.086","0.067","","","0.151","0.167","","","","","","1.326","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206977","5.4659","0.001","13.6278","0.0019","32.124","0.004","90","","90","","90","","2392.9","0.6","296","2","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Hexyloxyphenylamine","4-(n-Hexyloxy)aniline","","- C12 H19 N O -","- C12 H19 N O -","- C96 H152 N8 O8 -","8","1","HG6243","Herrera, Ana M.; Bernès, Sylvain; López, Delia","4-(Hexyloxy)aniline","Acta Crystallographica Section E","2005","61","10","o3212","o3213","10.1107/S160053680502787X","","","0.71073","MoKα","","0.1079","0.0501","","","0.1173","0.1494","","","","","","1.019","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206980","7.146","0.004","17.906","0.009","21.697","0.011","90","","90","","90","","2776","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-fluorobenzylideneamino)-2H- 1,2,4-triazole-3(4H)-thione","","- C12 H10 F N7 S -","- C12 H10 F N7 S -","- C96 H80 F8 N56 S8 -","8","1","HG6247","Yang, Xiu-Ying; Shang, Yu-Qing; Yu, Guan-Ping; Zhang, Pu-Yong; Li, Wei-Hua; Hou, Bao-Rong","5-[(1<i>H</i>-1,2,4-Yriazol-1-yl)methyl]-4-(4-fluorobenzylideneamino)-2<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","10","o3371","o3372","10.1107/S1600536805029715","","","0.71073","MoKα","","0.0978","0.0441","","","0.0909","0.1108","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206993","11.4827","0.0009","15.6864","0.0013","18.4671","0.0014","90","","90","","90","","3326.3","0.5","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide","","- C15 H22 N O4 S -","- C15 H22 N O4 S -","- C120 H176 N8 O32 S8 -","8","1","JH6014","Zhou, Bao-Han; Meng, Xiang-Gao; Yin, Guo-Dong; Wu, An-Xin","4-(Benzenesulfonyloxy)-2,2,6,6-tetramethylpiperidin-4-yl oxide","Acta Crystallographica Section E","2005","61","10","o3377","o3379","10.1107/S1600536805028035","","","0.71073","MoKα","","0.0683","0.0467","","","0.1303","0.1455","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207002","7.2099","0.0005","13.6448","0.0009","29.631","0.003","90","","90","","90","","2915","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","LH6476","Deveci, Özlem; Işık, Şamil; Albayrak, Çiǧdem; Ağar, Erbil","2-Acetyl-4-(4-ethoxyphenyldiazenyl)phenol","Acta Crystallographica Section E","2005","61","10","o3226","o3227","10.1107/S1600536805028072","","","0.71073","MoKα","","0.1385","0.0534","","","0.1357","0.1726","","","","","","0.885","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207076","15.518","0.003","9.3215","0.0018","22.942","0.005","90","","90","","90","","3318.6","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N'-(4-Hydroxybenzylidene)benzohydrazide dimethylformamide solvate","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C136 H152 N24 O24 -","8","1","TK6258","Jing, Zuo-Liang; Fan, Zhi; Yu, Ming; Chen, Xin; Deng, Qi-Liang","<i>N</i>'-(4-Hydroxybenzylidene)benzohydrazide dimethylformamide solvate","Acta Crystallographica Section E","2005","61","10","o3495","o3496","10.1107/S1600536805030679","","","0.71073","MoKα","","0.137","0.046","","","0.101","0.149","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207140","12.764","0.009","7.361","0.005","31.03","0.02","90","","90","","90","","2915","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-[4-(2-Chloroethyloxy)naphthyl]fulvene","","- C18 H15 Cl O -","- C18 H15 Cl O -","- C144 H120 Cl8 O8 -","8","1","BH6042","Li, Jie; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin","6-[4-(2-Chloroethyloxy)naphthyl]fulvene","Acta Crystallographica Section E","2005","61","11","o3901","o3902","10.1107/S1600536805034483","","","0.71073","MoKα","","0.1184","0.0619","","","0.1262","0.1445","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207145","13.9094","0.0009","6.8497","0.0005","21.8148","0.0014","90","","90","","90","","2078.4","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[(μ~6~-1,4-benzenedicarboxylato)hemi(μ~6~-succinato)gadolinium(III)]","","- C20 H12 Gd2 O12 -","- C20 H12 Gd2 O12 -","- C80 H48 Gd8 O48 -","4","0.5","BT6749","Chun-Xiang Wang; Zhi-Feng Li","Poly[bis(μ~4~-1,4-benzenedicarboxylato)(μ~6~-succinato)digadolinium(III)]","Acta Crystallographica Section E","2005","61","11","m2212","m2213","10.1107/S1600536805031314","","","0.71073","MoKα","","0.019","0.0173","","","0.0433","0.044","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207149","7.9154","0.0009","13.7376","0.0014","22.98","0.003","90","","90","","90","","2498.8","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-[2-(1-Methyl-1H-indol-3-yl)methylidene]cyclohexanone","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","BT6754","K. Ravikumar; B. Sridhar; C. J.Saikia; R. C. Boruah","(<i>Z</i>)-[2-(1-Methyl-1<i>H</i>-indol-3-yl)methylidene]cyclohexanone","Acta Crystallographica Section E","2005","61","11","o3672","o3673","10.1107/S1600536805032563","","","0.71073","MoKα","","0.0636","0.0516","","","0.133","0.1411","","","","","","1.097","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207150","9.8697","0.0008","16.446","0.0014","21.4643","0.0018","90","","90","","90","","3484","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3'-Nitro-4'-(4-methylphenyl)spiro[1H-indole-3,2'-pyrrolidin]-2-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C152 H152 N24 O24 -","8","1","BT6755","S. Selvanayagam; P. Rathisuganya; B. Shaherin; D. Velmurugan; K. Ravikumar; M. Poornachandran","4'-(4-Methylphenyl)-3'-nitrospiro[1<i>H</i>-indole-3,2'-pyrrolidin]-2-one","Acta Crystallographica Section E","2005","61","11","o3693","o3695","10.1107/S1600536805032526","","","0.71073","MoKα","","0.091","0.0631","","","0.1367","0.151","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207170","7.434","0.004","5.972","0.002","17.603","0.009","90","","90","","90","","781.5","0.6","296","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3,6,7-Tetrahydrobenzo[1,2-b;4,5-b']difuran","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","0.5","CF6462","Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu","2,3,6,7-Tetrahydrobenzo[1,2-<i>b</i>;4,5-<i>b</i>']difuran","Acta Crystallographica Section E","2005","61","11","o3674","o3675","10.1107/S1600536805032083","","","0.71075","MoKα","","","0.0387","","","","0.1134","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207173","15.11","0.003","9.2097","0.0019","17.084","0.004","90","","90","","90","","2377.4","0.9","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ethopabate","Methyl 4-acetamido-2-ethoxybenzoate","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C96 H120 N8 O32 -","8","1","CF6466","Gao, Fei; Yin, Cai-Xia; Huo, Fang-Jun; Yang, Pin","Ethopabate","Acta Crystallographica Section E","2005","61","11","o3870","o3871","10.1107/S1600536805034082","","","0.71073","MoKα","","0.06","0.037","","","0.0807","0.0863","","","","","","0.866","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207201","10.4207","0.0018","10.976","0.002","28.962","0.004","90","","90","","90","","3312.6","0.9","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexaaquacadmium(II) bis{4-[2-(4-hydroxyphenyl)-2-propyl]phenolate} dihydrate","","- C30 H46 Cd O12 -","- C30 H46 Cd O12 -","- C120 H184 Cd4 O48 -","4","0.5","CV6591","Ai-Yun Fu; Da-Qi Wang; Yong-Ling Sun","Hexaaquacadmium(II) bis{4-[2-(4-hydroxyphenyl)-2-propyl]phenolate} dihydrate","Acta Crystallographica Section E","2005","61","11","m2353","m2354","10.1107/S1600536805033167","","","0.71073","MoKα","","0.0962","0.0488","","","0.1136","0.1436","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207256","16.629","0.002","14.9729","0.0019","22.899","0.003","90","","90","","90","","5701.5","1.2","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4,4-Diphenylbuta-1,3-dienyl)-N,N-bis(4-methylphenyl)aniline","","- C36 H31 N -","- C36 H31 N -","- C288 H248 N8 -","8","1","HK6041","Wu, An-Shu; Li, Xiang-Gao; He, Li-Li; Wang, Shi-Rong","4-(4,4-Diphenylbuta-1,3-dienyl)-<i>N</i>,<i>N</i>-bis(4-methylphenyl)aniline","Acta Crystallographica Section E","2005","61","11","o3699","o3700","10.1107/S1600536805032423","","","0.71073","MoKα","","0.1406","0.0504","","","","0.1431","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207291","16.777","0.004","7.4464","0.0015","23.192","0.005","90","","90","","90","","2897.3","1.1","296","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[2-(4-Carboxyphenoxy)ethyl]piperidinium chloride","","- C14 H20 Cl N O3 -","- C14 H20 Cl N O3 -","- C112 H160 Cl8 N8 O24 -","8","1","LH6514","Yong-Jiang Wang; Wen Pei","1-[2-(4-Carboxyphenoxy)ethyl]piperidinium chloride","Acta Crystallographica Section E","2005","61","11","o3813","o3814","10.1107/S1600536805033520","","","0.71075","MoKα","","","0.0323","","","","0.0727","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207294","11.481","0.002","9.2619","0.0019","15.723","0.003","90","","90","","90","","1671.9","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine","","- C16 H14 I2 N2 -","- C16 H14 I2 N2 -","- C64 H56 I8 N8 -","4","0.5","LH6517","Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.","(3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine","Acta Crystallographica Section E","2005","61","11","o3767","o3768","10.1107/S1600536805033052","","","0.71073","MoKα","","0.0451","0.0261","","","0.0628","0.068","","","","","","0.992","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207348","11.0418","0.0017","8.0714","0.0012","41.313","0.007","90","","90","","90","","3681.9","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-N'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C168 H152 N24 O24 -","8","1","SJ6142","Shi, Jun","(<i>E</i>)-<i>N</i>'-(4-Benzyloxy-3-methoxybenzylidene)isonicotinohydrazide","Acta Crystallographica Section E","2005","61","11","o3933","o3934","10.1107/S1600536805034872","","","0.71073","MoKα","","0.092","0.0469","","","0.1008","0.1183","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207385","9.375","0.0001","14.4845","0.0002","26.439","0.0003","90","","90","","90","","3590.21","0.07","295","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-N-phenylbenzamide","","- C19 H17 N3 O3 S -","- C19 H17 N3 O3 S -","- C152 H136 N24 O24 S8 -","8","1","WN6376","Jun Wu; Mei-Feng Chen; Li-Hong Wang; Pei-Zhi Zhang","2-(4,6-Dimethoxypyrimidin-2-ylsulfanyl)-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2005","61","11","o3728","o3729","10.1107/S1600536805032940","","","0.7107","MoKα","","","0.033","","","","0.072","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207387","8.8417","0.0018","12.081","0.002","14.262","0.003","90","","90","","90","","1523.4","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxypyridinium-1-acetate monohydrate","","- C7 H9 N O4 -","- C7 H9 N O4 -","- C56 H72 N8 O32 -","8","1","WN6386","Zhu-Yan Zhang; Shan Gao; Li-Hua Huo; Jing-Gui Zhao","3-Hydroxypyridinium-1-acetate monohydrate","Acta Crystallographica Section E","2005","61","11","o3554","o3555","10.1107/S1600536805031284","","","0.71073","MoKα","","0.0434","0.0358","","","0.0953","0.0997","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207413","15.9996","0.0007","15.3187","0.0006","16.7417","0.0007","90","","90","","90","","4103.3","0.3","233.5","0.2","233.5","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[Aqua[bis(2-pyridylmethyl)amino-6-caproato]zinc(II) perchlorate]","","- C18 H24 Cl N3 O7 Zn -","- C18 H24 Cl N3 O7 Zn -","- C144 H192 Cl8 N24 O56 Zn8 -","8","1","AC6211","Choi, Ki-Young; Ryu, Haiil; Ko, Jaejung; Kang, Sang Ook; Han, Won-Sik; Suh, Il-Hwan","<i>catena</i>-Poly[[[aquazinc(II)]-μ-6-[bis(2-pyridylmethyl)amino]caproato] perchlorate]","Acta Crystallographica Section E","2005","61","12","m2474","m2476","10.1107/S1600536805035026","","","0.71073","MoKα","","0.093","0.0412","","","0.0944","0.1269","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207469","9.297","0.003","15.673","0.005","24.329","0.009","90","","90","","90","","3545","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,5-diiodophenyl acridine-9-carboxylate","","- C20 H11 I2 N O2 -","- C20 H11 I2 N O2 -","- C160 H88 I16 N8 O16 -","8","1","CF2003","Artur Sikorski; Karol Krzymiński; Agata Białońska; Tadeusz Lis; Jerzy Błażejowski","2,6-Diiodophenyl acridine-9-carboxylate","Acta Crystallographica Section E","2005","61","12","o4355","o4357","10.1107/S1600536805038729","","","0.71073","MoKα","","0.0694","0.0381","","","0.0879","0.0955","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207472","18.656","0.002","16.674","0.003","18.863","0.003","90","","90","","90","","5867.7","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Diaqua-2,3,4,5,6-pentaisopropoxy-1-nickeladodecaborane","","- C15 H45 B11 Ni O7 -","- C15 H45 B11 Ni O7 -","- C120 H360 B88 Ni8 O56 -","8","1","CF6470","Li-Bin Wu; Jian-Min Dou; Qing-Liang Guo; Da-Cheng Li; Da-Qi Wang","1,1-Diaqua-2,3,4,5,6-pentaisopropoxy-1-nickeladodecaborane","Acta Crystallographica Section E","2005","61","12","m2585","m2587","10.1107/S1600536805036470","","","0.71073","MoKα","","0.1422","0.0513","","","0.1144","0.1685","","","","","","1.077","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207494","14.983","0.001","13.587","0.001","25.143","0.002","90","","90","","90","","5118.5","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]zinc(II)","","- C26 H30 Br2 N2 O2 Zn -","- C26 H30 Br2 N2 O2 Zn -","- C208 H240 Br16 N16 O16 Zn8 -","8","1","CI6692","You, Zhong-Lu","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2493","m2494","10.1107/S160053680503552X","","","0.71073","MoKα","","0.1027","0.0514","","","0.1093","0.1306","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207498","23.26","0.002","13.305","0.002","13.119","0.003","90","","90","","90","","4060","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclopropyliminomethyl)phenolato]zinc(II)","","- C20 H18 Br2 N2 O2 Zn -","- C20 H18 Br2 N2 O2 Zn -","- C160 H144 Br16 N16 O16 Zn8 -","8","1","CI6696","You, Zhong-Lu","Bis[4-bromo-2-(cyclopropyliminomethyl)phenolato]zinc(II)","Acta Crystallographica Section E","2005","61","12","m2501","m2502","10.1107/S1600536805035579","","","0.71073","MoKα","","0.1033","0.0431","","","0.0824","0.1016","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207522","16.896","0.002","8.3711","0.001","20.345","0.003","90","","90","","90","","2877.6","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-isopropyl-9H-carbazole","","- C15 H13 Br2 N -","- C15 H13 Br2 N -","- C120 H104 Br16 N8 -","8","1","DN6274","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","3,6-Dibromo-9-isopropyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2005","61","12","o4227","o4228","10.1107/S1600536805037372","","","0.71073","MoKα","","0.1088","0.0504","","","0.119","0.1439","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207540","6.964","0.005","7.139","0.005","22.193","0.015","90","","90","","90","","1103.3","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(biguanido-κ^2^N,N')nickel(II) dihydrate","","- C4 H16 N10 Ni O2 -","- C4 H16 N10 Ni O2 -","- C16 H64 N40 Ni4 O8 -","4","0.5","HB6293","Su, Ying-Lan; Lu, Li-Ping; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate","Acta Crystallographica Section E","2005","61","12","m2531","m2533","10.1107/S1600536805035944","","","0.71073","MoKα","","0.0541","0.0356","","","0.0813","0.0859","","","","","","0.886","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207580","9.842","0.003","15.29","0.005","19.434","0.006","90","","90","","90","","2924.5","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-[2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxo-4H-thieno[2,3-b]thiopyran- 4-yl]acetamide","","- C10 H14 N2 O5 S3 -","- C10 H14 N2 O5 S3 -","- C80 H112 N16 O40 S24 -","8","1","JH6024","Zhen-Guang Zou; Peng Guo; Yin-Xiang Lu","<i>N</i>-[2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxo-4<i>H</i>-thieno[2,3-<i>b</i>]thiopyran-4-yl]acetamide","Acta Crystallographica Section E","2005","61","12","o4096","o4098","10.1107/S1600536805036718","","","0.71073","MoKα","","0.0749","0.0393","","","0.1053","0.1135","","","","","","0.959","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207586","12.408","0.001","6.4174","0.0006","15.004","0.002","90","","90","","90","","1194.7","0.2","291","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Di-4-pyridylbutane-2,3-diol","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","0.5","LH2001","Niu, Yun-Yin; Liu, Xiu-Cun; Zain, Sharifuddin M.; Ng, Seik Weng","2,3-Di-4-pyridylbutane-2,3-diol","Acta Crystallographica Section E","2005","61","12","o4303","o4304","10.1107/S1600536805038250","","","0.71073","MoKα","","0.054","0.037","","","0.091","0.103","","","","","","1.02","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207627","15.4","0.002","7.4361","0.0011","33.601","0.005","90","","90","","90","","3847.9","0.9","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-(2,3-dichlorophenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one hydrochloride","","- C17 H19 Cl3 N2 O S -","- C17 H19 Cl3 N2 O S -","- C136 H152 Cl24 N16 O8 S8 -","8","1","RZ6132","Yang, Xiong-Wen; Li, Ai-Jun; Zhu, Kong-Ming; Zhou, Xue-Qin; Liu, Dong-Zhi","4-(2,3-Dichlorophenyl)-1-[3-oxo-3-(2-thienyl)propyl]piperazin-1-ium chloride","Acta Crystallographica Section E","2005","61","12","o4144","o4145","10.1107/S1600536805037190","","","0.71073","MoKα","","0.0801","0.0583","","","0.1278","0.139","","","","","","1.115","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207667","13.8042","0.0009","6.791","0.0004","21.7163","0.0013","90","","90","","90","","2035.8","0.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-didysprosium(III)]","","- C20 H12 Dy2 O12 -","- C20 H12 Dy2 O12 -","- C80 H48 Dy8 O48 -","4","0.5","SU6248","Zhi-Feng Li; Chun-Xiang Wang","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-didysprosium(III)]","Acta Crystallographica Section E","2005","61","12","m2689","m2690","10.1107/S1600536805038171","","","0.71073","MoKα","","0.0226","0.0212","","","0.0592","0.06","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207703","16.6996","0.0008","19.5711","0.0006","22.968","0.0011","90","","90","","90","","7506.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base 2-amino-N,N'-bis(3-hydroxysalicylidene)benzylamine tetrahydrofuran solvate","","- C40 H41 N3 O9 U Zn -","- C40 H41 N3 O9 U Zn -","- C320 H328 N24 O72 U8 Zn8 -","8","1","XU6075","Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel","A heterobimetallic zinc(II)/uranium(IV) complex with the Schiff base 2-amino-<i>N</i>,<i>N</i>'-bis(3-hydroxysalicylidene)benzylamine","Acta Crystallographica Section E","2005","61","12","m2607","m2609","10.1107/S1600536805035488","","","0.71073","MoKα","","0.118","0.048","","","0.066","0.083","","","","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207715","12.36","0.002","7.1688","0.0014","33.275","0.006","90","","90","","90","","2948.4","0.9","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2',4'-Dihydroxy-5',6'-dimethoxychalcone","","- C17 H16 O5 -","- C17 H16 O5 -","- C136 H128 O40 -","8","1","AT6060","Usman, Hanapi; Jalaluddin, Muhammad N.; Hakim, Euis H.; Yana, S.; Yamin, Bohari M.","2',4'-Dihydroxy-5',6'-dimethoxychalcone","Acta Crystallographica Section E","2006","62","1","o209","o211","10.1107/S160053680504047X","","","0.71073","MoKα","","0.072","0.053","","","0.121","0.13","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207763","12.787","0.004","9.918","0.003","13.524","0.004","90","","90","","90","","1715.1","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-hydroxyphenyl)acrylamide","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C72 H72 N8 O16 -","8","1","CV6616","Wei-Qiang Chen; Qi-Ya; Xuan-Ming Duan","<i>N</i>-(4-Hydroxyphenyl)acrylamide","Acta Crystallographica Section E","2006","62","1","o145","o146","10.1107/S1600536805040730","","","0.71073","MoKα","","0.0502","0.0392","","","0.1237","0.1338","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207805","7.985","0.002","10.583","0.004","19.79","0.005","90","","90","","90","","1672.4","0.9","296","1","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Nitro-1,2,3,4-tetrahydroquinoline","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C72 H80 N16 O16 -","8","1","IS6161","Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu","7-Nitro-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2006","62","1","o62","o63","10.1107/S1600536805040067","","","0.71075","MoKα","","","0.0348","","","","0.0713","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207834","8.841","0.0017","20.584","0.004","22.344","0.002","90","","90","","90","","4066.2","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-benzyl-1-benzyloxy-6a-methyl-1,2,3,3a,4,6a-hexahydro- 1-azapentalene-3a-carboxylate","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C192 H216 N8 O24 -","8","1","LH6566","Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Loaiza, Alix Elena; Jaramillo-Gómez, Luz Marina","Methyl 2-benzyl-1-benzyloxy-6a-methyl-1,2,3,3a,4,6a-hexahydrocyclopenta[<i>b</i>]pyrrole-3a-carboxylate: hydrogen-bonded <i>R</i>~<b>4~</b>^<b>4^</b>(24) sheets","Acta Crystallographica Section E","2006","62","1","o165","o167","10.1107/S1600536805040742","","","0.71073","MoKα","","0.0942","0.0547","","","0.0926","0.1085","","","","","","1.106","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207864","9.6551","0.0011","9.1665","0.001","17.673","0.002","90","","90","","90","","1564.1","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-(hydroxyimino)-N-phenylacetamide","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","1","RZ6147","Liu, Shaojie; Ma, Mingliang; Zhou, Hongyu; Li, Yan; Han, Ling","(<i>E</i>)-2-(Hydroxyimino)-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2006","62","1","o316","o317","10.1107/S1600536805042030","","","0.71073","MoKα","","0.0591","0.0479","","","0.1314","0.1394","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207877","10.84","0.002","9.74","0.001","23.596","0.003","90","","90","","90","","2491.3","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-(4-Chlorophenyl)benzenesulfonamide","","- C12 H10 Cl N O2 S -","- C12 H10 Cl N O2 S -","- C96 H80 Cl8 N8 O16 S8 -","8","1","SG6049","Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.","<i>N</i>-(4-Chlorophenyl)benzenesulfonamide","Acta Crystallographica Section E","2006","62","1","o376","o378","10.1107/S1600536805041929","","","0.7107","MoKα","","0.049","0.0381","","","0.1015","0.127","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207890","8.623","0.002","8.249","0.002","13.075","0.003","90","","90","","90","","930","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-mercapto-1,3,4-thiadiazole","1,3,4-Thiadiazolium-2-thiolate","","- C2 H2 N2 S2 -","- C2 H2 N2 S2 -","- C16 H16 N16 S16 -","8","1","SJ6174","Pu-Zhou Hu; Jian-Ge Wang; Lu-Fang Ma; Bang-Tun Zhao; Li-Ya Wang","1,3,4-Thiadiazolium-2-thiolate","Acta Crystallographica Section E","2006","62","1","o350","o351","10.1107/S1600536805042388","","","0.71073","MoKα","","0.0225","0.0211","","","0.0541","0.0556","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207931","13.811","0.007","5.855","0.002","38.55","0.015","90","","90","","90","","3117","2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-di-4-pyridyl-1,3,4-oxadiazole‒hydroquinone (1/1)","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C144 H112 N32 O24 -","8","1","WW6442","Wang, Yong-Tao; Tang, Gui-Mei; Qin, Da-Wei; Duan, Hong-Dong","1:1 Cocrystal of 2,5-di-4-pyridyl-1,3,4-oxadiazole and hydroquinone","Acta Crystallographica Section E","2006","62","1","o45","o46","10.1107/S1600536805040018","","","0.71073","MoKα","","0.0817","0.0636","","","0.1237","0.1333","","","","","","1.202","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207939","8.968","0.002","16.69","0.003","22.019","0.004","90","","90","","90","","3295.7","1.1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-(4-chlorobenzyl)-9H-carbazole","","- C19 H12 Br2 Cl N -","- C19 H12 Br2 Cl N -","- C152 H96 Br16 Cl8 N8 -","8","1","WW6464","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o143","o144","10.1107/S1600536805040821","","","0.71073","MoKα","","0.0641","0.0348","","","0.0834","0.0985","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207942","10.856","0.005","8.245","0.004","38.898","0.017","90","","90","","90","","3482","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H- pyrazolo[3,4-b]pyridine-5-carbonitrile","","- C20 H15 F N4 O -","- C20 H15 F N4 O -","- C160 H120 F8 N32 O8 -","8","1","XU6071","Jing Wang; Song-Lei Zhu","4-(4-Fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine-5-carbonitrile","Acta Crystallographica Section E","2006","62","1","o47","o48","10.1107/S1600536805039462","","","0.71073","MoKα","","0.114","0.057","","","0.134","0.165","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207948","19.214","0.003","14.821","0.002","19.639","0.003","90","","90","","90","","5592.6","1.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-{(2,4-Dichlorophenyl)[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4- yl)methyl}-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol monohydrate","","- C27 H18 Cl2 F6 N4 O3 -","- C27 H18 Cl2 F6 N4 O3 -","- C216 H144 Cl16 F48 N32 O24 -","8","1","AC2002","Chang-Sheng Yao; Chen-Xia Yu; Shu-Jiang Tu; Xiang-Shan Wang","4-{(2,4-Dichlorophenyl)[5-hydroxy-1-phenyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-4yl]methyl}-1-phenyl-3-(trifluoromethyl)-1<i>H</i>-pyrazol-5-ol monohydrate","Acta Crystallographica Section E","2006","62","2","o771","o773","10.1107/S1600536806002339","","","0.71073","MoKα","","0.1559","0.0571","","","0.1016","0.1373","","","","","","1.001","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2207984","9.919","0.001","9.687","0.001","19.656","0.002","90","","90","","90","","1888.7","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(tetramethylammonium) di-μ-fluoro-bis[aquatetrafluorohafnate(IV)]","","- C8 H28 F10 Hf2 N2 O2 -","- C8 H28 F10 Hf2 N2 O2 -","- C32 H112 F40 Hf8 N8 O8 -","4","0.5","BV6041","Gerasimenko, Andrey V.; Davidovich, Ruven L.; Tkachev, Valery V.; Ng, Seik Weng","Bis(tetramethylammonium) di-μ-fluoro-bis[aquatetrafluorohafnate(IV)]","Acta Crystallographica Section E","2006","62","2","m196","m197","10.1107/S1600536805042479","","","0.71073","MoKα","","0.025","0.021","","","0.053","0.055","","","","","","1.09","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2207989","10.391","0.004","7.771","0.003","33.314","0.013","90","","90","","90","","2690.1","1.8","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Potassium 2-benzoylbenzoate dihydrate","","- C14 H13 K O5 -","- C14 H13 K O5 -","- C112 H104 K8 O40 -","8","1","CF6482","Wang, Dan-Dan; Zhu, Hong-Jun; Shan, Ning; Song, Guang-Liang; Wang, Jin-Tang","Potassium 2-benzoylbenzoate dihydrate","Acta Crystallographica, Section E","2006","62","2","o427","o428","10.1107/S160053680504290X","","","0.71073","MoKα","","0.1193","0.105","","","0.2351","0.2427","","","","","","1.368","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2208027","7.644","0.0005","14.1397","0.001","23.7588","0.0016","90","","90","","90","","2567.9","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Amino-1-(4-nitrobenzyl)pyridinium bromide","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C96 H96 Br8 N24 O16 -","8","1","CV6624","Sundar, T. V.; Parthasarathi, V.; Sridhar, B.; Venkatesan, P.; Nallu, M.","3-Amino-1-(4-nitrobenzyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","2","o482","o484","10.1107/S1600536806000079","","","0.71073","MoKα","","0.0386","0.0284","","","0.0697","0.0758","","","","","","1.053","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2208037","9.3871","0.0004","14.7295","0.0006","21.6478","0.0009","90","","90","","90","","2993.2","0.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,t-6-Dihydroxy-t-5-methoxycarbonyl-c-6-methyl-r-4-phenyl-4,5,6,7-tetrahydro- 1H-indazole","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","CV6635","Hema, R.; Parthasarathi, V.; Ravikumar, K.; Sridhar, B.; Pandiarajan, K","3,<i>t</i>-6-Dihydroxy-<i>t</i>-5-methoxycarbonyl-<i>c</i>-6-methyl-<i>r</i>-4-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazole","Acta Crystallographica Section E","2006","62","2","o656","o658","10.1107/S1600536806001486","","","0.71073","MoKα","","0.046","0.0416","","","0.1091","0.1129","","","","","","1.049","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208053","7.303","0.002","11.005","0.002","21.447","0.004","90","","90","","90","","1723.7","0.7","296","2","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","DL-Phenylglycinium chloride","","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C64 H80 Cl8 N8 O16 -","8","1","DN6303","Bouacida, Sofiane; Hocine, Merazig; Patricia, Benard-Rocherulle","<small>DL</small>-Phenylglycinium chloride","Acta Crystallographica Section E","2006","62","2","o838","o840","10.1107/S1600536806003023","","","0.71073","MoKα","","0.0427","0.0298","","","0.0941","0.1159","","","","","","1.006","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208088","6.2331","0.0009","16","0.002","27.741","0.004","90","","90","","90","","2766.6","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Hydroxy-4-nitrophenyl 4-toluenesulfonate","","- C13 H11 N O6 S -","- C13 H11 N O6 S -","- C104 H88 N8 O48 S8 -","8","1","HK6079","Xiu-Jie Ji; Chun-Bao Li; Chao Liu","3-Hydroxy-4-nitrophenyl 4-toluenesulfonate","Acta Crystallographica Section E","2006","62","2","o753","o754","10.1107/S1600536806002406","","","0.71073","MoKα","","0.0782","0.0415","","","0.1119","0.1358","","","","","","0.998","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208091","7.1044","0.0005","15.5318","0.0008","24.6393","0.0002","90","","90","","90","","2718.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(Quinolin-4-yloxy)phthalonitrile","","- C17 H9 N3 O -","- C17 H9 N3 O -","- C136 H72 N24 O8 -","8","1","IS6165","Yu, Hai-Yan; Xue, Jin-Ping; Chen, Nai-Sheng; Huang, Jin-Ling","4-(Quinolin-4-yloxy)phthalonitrile","Acta Crystallographica Section E","2006","62","2","o480","o481","10.1107/S1600536805042893","","","0.71073","MoKα","","0.0746","0.0414","","","0.1125","0.1247","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208105","10.1525","0.0014","13.1586","0.0018","14.922","0.002","90","","90","","90","","1993.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(1H-pyrrol-2-ylcarboxamido)propionate","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C72 H96 N16 O24 -","8","1","JH6038","Xiang Chao Zeng; Ying Zhou Cen","Methyl 3-(1<i>H</i>-pyrrol-2-ylcarboxamido)propionate","Acta Crystallographica Section E","2006","62","2","o673","o674","10.1107/S1600536806001954","","","0.71073","MoKα","","0.0993","0.0454","","","0.1026","0.1284","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208132","14.0586","0.0003","6.9445","0.0001","21.9664","0.0005","90","","90","","90","","2144.58","0.07","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]","","- C20 H12 Nd2 O12 -","- C20 H12 Nd2 O12 -","- C80 H48 Nd8 O48 -","4","0.5","NG6269","Zhi-Feng Li; Chun-Xiang Wang; Yong Li; Ding-Jian Cai; You-Jun Xiao","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dineodymium(III)]","Acta Crystallographica Section E","2006","62","2","m251","m252","10.1107/S1600536806000183","","","0.71073","MoKα","","0.0251","0.0239","","","0.0802","0.0813","","","","","","1.015","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208168","14.797","0.004","7.2616","0.0019","15.191","0.004","90","","90","","90","","1632.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis-pyridino-18-crown-6","3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa- 1(23),8,10,12(24),19,21-hexaene","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","0.5","SJ6178","Cheng-Juan Li; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","3,6,14,17-Tetraoxa-23,24-diazatricyclo[17.3.1.1^8.12^]tetracosa-1(23),8,10,12(24),19,21-hexaene (bis-pyridino-18-crown-6)","Acta Crystallographica Section E","2006","62","2","o416","o417","10.1107/S1600536805042522","","","0.71073","MoKα","","0.0429","0.0344","","","0.0846","0.0922","","","","","","1.074","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208208","11.622","0.003","7.8368","0.0016","24.017","0.005","90","","90","","90","","2187.5","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Fluorophenyl)phthalimide","","- C14 H8 F N O2 -","- C14 H8 F N O2 -","- C112 H64 F8 N8 O16 -","8","1","WW6462","Dan Xu; Yu-Quan Shi; Bin Chen; Yu-Hong Cheng; Xu Gao","<i>N</i>-(2-Fluorophenyl)phthalimide","Acta Crystallographica Section E","2006","62","2","o408","o409","10.1107/S1600536805041206","","","0.71073","MoKα","","0.1002","0.0366","","","0.0796","0.1038","","","","","","0.985","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208212","13.374","0.005","13.04","0.005","15.742","0.006","90","","90","","90","","2745.4","1.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","","- C13 H12 N4 O4 -","- C13 H12 N4 O4 -","- C104 H96 N32 O32 -","8","1","WW6473","Guo, Min-Jie; Sun, Jia-Cui; Jing, Zuo-Liang; Yu, Ming; Chen, Xin","3-Nitrobenzaldehyde isonicotinoylhydrazone monohydrate","Acta Crystallographica Section E","2006","62","2","o820","o821","10.1107/S1600536806002509","","","0.71073","MoKα","","0.0565","0.0416","","","0.1138","0.1267","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208310","8.163","0.0007","29.3272","0.0009","11.436","0.003","90","","90","","90","","2737.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Naphthoxy)phthalonitrile","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C144 H80 N16 O8 -","8","1","DN6305","Ustabaş, Reşat; Çoruh, Ufuk; Akdemir, Nesuhi; Ag̃ar, Erbil; Kalkan, Hüseyin","4-(2-Naphthoxy)phthalonitrile","Acta Crystallographica Section E","2006","62","3","o999","o1000","10.1107/S1600536806004168","","","0.71073","MoKα","","0.1274","0.0442","","","0.0995","0.1117","","","","","","0.632","","","","has coordinates,has Fobs","192348","2020-10-21","18:00:00",""
"2208316","13.8485","0.0018","5.8921","0.0008","19.613","0.002","90","","90","","90","","1600.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-bromobenzoate","","- C8 H7 Br O2 -","- C8 H7 Br O2 -","- C64 H56 Br8 O16 -","8","1","FL2004","Bolte, Michael; Wissler, Jörg","Methyl 4-bromobenzoate","Acta Crystallographica Section E","2006","62","3","o1192","o1193","10.1107/S1600536806006866","","","0.71073","MoKα","","0.056","0.0405","","","0.089","0.0928","","","","","","0.935","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208318","8.6967","0.0016","14.557","0.003","27.408","0.005","90","","90","","90","","3469.8","1.1","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(Hydroxydiphenylmethyl)-2-(methoxymethoxy)benzaldehyde","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","1","FL6210","Chen, Wei-Zhu; Zeng, Qing-Le; Fang, Hua; Gao, Yu-Xing; Zhao, Yu-Fen","3-(Hydroxydiphenylmethyl)-2-(methoxymethoxy)benzaldehyde","Acta Crystallographica Section E","2006","62","3","o869","o870","10.1107/S1600536806003035","","","0.71073","MoKα","","0.0596","0.0501","","","0.1368","0.1438","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208322","14.23","0.003","6.945","0.002","21.808","0.009","90","","90","","90","","2155.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-methyl-7-hydroxycoumarin sulfate potassium salt","Potassium (4-methyl-2-oxo-2H-chromen-7-yloxy)sulfate","","- C10 H7 K O6 S -","- C10 H7 K O6 S -","- C80 H56 K8 O48 S8 -","8","1","FL6218","Sierosławski, Krzysztof; Ślepokura, Katarzyna; Lis, Tadeusz","Potassium (4-methyl-2-oxo-2<i>H</i>-chromen-7-yloxy)sulfate","Acta Crystallographica Section E","2006","62","3","m560","m562","10.1107/S1600536806005137","","","0.71073","MoKα","","0.0672","0.056","","","0.1021","0.1045","","","","","","1.244","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208325","10.3428","0.0004","19.8783","0.0004","25.8749","0.0008","90","","90","","90","","5319.8","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Co N6 O6 S -","- C25 H26 Co N6 O6 S -","- C200 H208 Co8 N48 O48 S8 -","8","1","HB2005","Lei Cao; Jia-Geng Liu; Duan-Jun Xu","Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobalt(II) dihydrate","Acta Crystallographica Section E","2006","62","3","m579","m581","10.1107/S1600536806005897","","","0.71073","MoKα","","0.105","0.054","","","0.093","0.104","","","","","","1.054","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208359","6.8235","0.0005","9.5334","0.0006","16.4932","0.0011","90","","90","","90","","1072.9","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Mn Na2 O10 -","- C6 H8 Mn Na2 O10 -","- C24 H32 Mn4 Na8 O40 -","4","0.5","IS2003","Yong-Tao Wang; Gui-Mei Tang; Xu-Yang Qin","Poly[diaquadi-μ-malonato-manganese(II)disodium(I)]","Acta Crystallographica Section E","2006","62","3","m582","m584","10.1107/S1600536806005915","","","0.71073","MoKα","","0.0236","0.0221","","","0.0624","0.0638","","","","","","1.079","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208422","9.6944","0.0009","12.1761","0.0011","13.7141","0.0012","90","","90","","90","","1618.8","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N'-Bis(3,5-dimethyl-1H-pyrazol-1-ylmethyl)piperazine","","- C16 H26 N6 -","- C16 H26 N6 -","- C64 H104 N24 -","4","0.5","SG2006","Abdeljalil, El Fatmi; Najib, Ben Larbi; Abdelali, Kerbal; El Bali, Brahim; Bolte, Michael","<i>N</i>,<i>N</i>'-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-ylmethyl)piperazine","Acta Crystallographica Section E","2006","62","3","o1103","o1104","10.1107/S1600536806005654","","","0.71073","MoKα","","0.0411","0.0345","","","0.0971","0.0997","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208455","9.4042","0.0014","15.603","0.002","23.143","0.004","90","","90","","90","","3395.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole","","- C18 H19 N3 O2 S -","- C18 H19 N3 O2 S -","- C144 H152 N24 O16 S8 -","8","1","WN6417","Yusof, M. Sukeri M.; Tajuddin, Nazrizawati A.; Mardi, A. Sahali; Yamin, Bohari M.","4-(4-Methoxybenzoyl)-2,2-dimethyl-5-phenylamino-2,3-dihydro-1,3,4-thiadiazole","Acta Crystallographica Section E","2006","62","3","o1072","o1074","10.1107/S1600536806005204","","","0.71073","MoKα","","0.085","0.063","","","0.118","0.124","","","","","","1.25","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208459","10.8464","0.0007","16.9377","0.0011","22.2437","0.0014","90","","90","","90","","4086.5","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","9,9-Bis(ethoxycarbonylethyl)-9H-fluorene","diethyl 3,3'-(9H-fluorene-9,9-diyl)dipropionate","","- C23 H26 O4 -","- C23 H26 O4 -","- C184 H208 O32 -","8","1","XU2002","Hu, Wei-Bing; Liu, Hong-Xia; Tian, Da-Ting; Liu, Cheng-Mei; Liu, Zu-Li","9,9-Bis(ethoxycarbonylethyl)-9<i>H</i>-fluorene","Acta Crystallographica Section E","2006","62","3","o1105","o1106","10.1107/S1600536806005733","","","0.71073","MoKα","","0.083","0.06","","","0.158","0.172","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208499","10.733","0.002","9.842","0.001","24.65","0.002","90","","90","","90","","2603.9","0.6","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(5-Ethyl-1,3,4-thiadiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane- 4,6-dione","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C88 H104 N24 O32 S8 -","8","1","BH6071","Silva, Luiz Everson da; Joussef, Antonio Carlos; Andrighetti-Fröhner, Carla Regina; Simões, Cláudia Maria Olivra; Bortoluzzi, Adailton José","5-(5-Ethyl-1,3,4-thiadiazol-2-ylaminomethylene)-2,2-dimethyl-1,3-dioxane- 4,6-dione","Acta Crystallographica Section E","2006","62","4","o1520","o1521","10.1107/S160053680600969X","","","0.71069","MoKα","","0.0921","0.043","","","0.1009","0.1156","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208506","13.589","0.009","18.546","0.006","16.075","0.008","90","","90","","90","","4051","4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","a triazole derivative","2-[3-(Methylphenoxymethyl)-5-phenyl-4H-1,2,4-triazol-4-yl]benzoic acid","","- C23 H19 N3 O3 -","- C23 H19 N3 O3 -","- C184 H152 N24 O24 -","8","1","BT2013","Rajnikant; Dinesh; Madhukar Baburao Deshmukh; Anshu Shawney","2-[3-(Methylphenoxymethyl)-5-phenyl-4<i>H</i>-1,2,4-triazol-4-yl]benzoic acid","Acta Crystallographica Section E","2006","62","4","o1373","o1374","10.1107/S1600536806008464","","","0.71069","MoKα","","0.1393","0.047","","","0.0932","0.115","","","","","","0.904","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208513","12.1452","0.0002","10.6688","0.0002","23.1573","0.0006","90","","90","","90","","3000.6","0.11","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-Hydroxy-5,6-dihydro-4H-1,3-thiazine","4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-thiazine","","- C17 H17 N O S -","- C17 H17 N O S -","- C136 H136 N8 O8 S8 -","8","1","BT2020","Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu","4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4<i>H</i>-1,3-thiazine","Acta Crystallographica Section E","2006","62","4","o1218","o1220","10.1107/S1600536806007008","","","0.71073","MoKα","","0.0934","0.0464","","","0.0873","0.1017","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208532","15.546","0.004","7.8944","0.0019","25.522","0.007","90","","90","","90","","3132.2","1.4","293","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1-naphthylammonium) triiodoplumbate(II)","","- C10 H10 I3 N Pb -","- C10 H10 I3 N Pb -","- C80 H80 I24 N8 Pb8 -","8","1","BT2043","Lemmerer, Andreas; Billing, David G.","1-Naphthylammonium triiodoplumbate(II)","Acta Crystallographica Section E","2006","62","4","m904","m906","10.1107/S1600536806011032","","","0.71073","MoKα","","","0.0363","","","","0.0787","","","","","","0.959","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208543","7.195","0.001","13.888","0.002","33.602","0.004","90","","90","","90","","3357.7","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido{1-[(2-diethylaminoethylimino)methyl]naphthalato}copper(II)","","- C17 H21 Cu N5 O -","- C17 H21 Cu N5 O -","- C136 H168 Cu8 N40 O8 -","8","1","CF2016","Xiao-Yang Qiu","Azido{1-[(2-diethylaminoethylimino)methyl]naphthalato}copper(II)","Acta Crystallographica Section E","2006","62","4","m849","m850","10.1107/S1600536806010087","","","0.71073","MoKα","","0.0793","0.0548","","","0.1407","0.1559","","","","","","1.027","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208555","11.757","0.002","14.363","0.002","17.535","0.002","90","","90","","90","","2961.1","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dibromo{2-[3-(methylamino)propyliminomethyl]phenolato}zinc(II)","","- C11 H16 Br2 N2 O Zn -","- C11 H16 Br2 N2 O Zn -","- C88 H128 Br16 N16 O8 Zn8 -","8","1","CI2021","Xiao-Yang Qiu","Dibromo{2-[3-(methylamino)propyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2006","62","4","m717","m718","10.1107/S1600536806007562","","","0.71073","MoKα","","0.0968","0.0459","","","0.0976","0.119","","","","","","1.012","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208626","12.281","0.003","13.945","0.003","23.527","0.005","90","","90","","90","","4029.2","1.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-di-tert-butyl-4-[(4-methoxyphenylimino)methyl]phenol","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C176 H232 N8 O16 -","8","1","HK2017","Xin, Chun-Wei; Zeng, Tao; Li, Jiang-Sheng","2,6-Di-<i>tert</i>-butyl-4-[(4-methoxyphenylimino)methyl]phenol","Acta Crystallographica Section E","2006","62","4","o1560","o1561","10.1107/S1600536806010130","","","0.71073","MoKα","","0.1173","0.0445","","","0.0996","0.1353","","","","","","1.002","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208649","7.6277","0.0009","11.9718","0.0009","17.501","0.0013","90","","90","","90","","1598.1","0.3","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3,4,6-hydroquinone dihydrate","2,3,5,6-tetrafluoro-1,4-dihydroxybenzene dihydrate","","- C6 H6 F4 O4 -","- C6 H6 F4 O4 -","- C48 H48 F32 O32 -","8","1","KP2013","Rusak, Paweł; Gdaniec, Maria","2,3,5,6-Tetrafluorohydroquinone dihydrate","Acta Crystallographica Section E","2006","62","4","o1650","o1651","10.1107/S1600536806011172","","","0.71073","MoKα","","0.0492","0.0321","","","0.072","0.0802","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208684","13.3595","0.0003","16.9998","0.0004","45.5887","0.0013","90","","90","","90","","10353.6","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetraphenylphosphonium) (cis-dioxo)bis(1-carboxybenzene-2,3-diolate-O,O')molybdenum(VI)","","- C62 H48 Mo O10 P2 -","- C62 H48 Mo O10 P2 -","- C496 H384 Mo8 O80 P16 -","8","1","OB2002","Litos, Charalambos; Karaliota, Alexandra; Parsons, Simon","Bis(tetraphenylphosphonium) bis(1-carboxybenzene-2,3-diolato-κ^2^<i>O</i>,<i>O</i>')-<i>cis</i>-dioxomolybdate(VI)","Acta Crystallographica Section E","2006","62","4","m928","m930","10.1107/S1600536806010907","","","0.71073","MoKα","","0.0697","0.0452","","","0.0918","0.0996","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2208773","28.3243","0.0009","11.4545","0.0003","7.668","0.0002","90","","90","","90","","2487.81","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(2-phenethyl)phthalimide","2-phenethylisoindoline-1,3-dione","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","YA2002","Warzecha, Klaus-Dieter; Lex, Johann; Neudörfl, Jörg M.; Griesbeck, Axel G.","<i>N</i>-(2-Phenethyl)phthalimide","Acta Crystallographica Section E","2006","62","4","o1580","o1581","10.1107/S1600536806010154","","","0.71073","MoKα","","0.081","0.041","","","0.083","0.095","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208782","10.599","0.0014","10.9782","0.0014","31.017","0.004","90","","90","","90","","3609.1","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 5-amino-1-(5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonyl) -3-methyl-1H-pyrazole-4-carboxylate","","- C18 H20 N6 O3 -","- C18 H20 N6 O3 -","- C144 H160 N48 O24 -","8","1","AT2023","Jun-Fei Li; Hai-Bin Song; You-Quan Zhu; Hua-Zheng Yang","Ethyl 5-amino-1-(5-amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-ylcarbonyl)-3-methyl-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2006","62","5","o1756","o1758","10.1107/S160053680601097X","","","0.71073","MoKα","","0.0812","0.0421","","","0.0957","0.1156","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208787","8.582","0.002","11.314","0.003","24.941","0.007","90","","90","","90","","2421.7","1.1","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-methylbenzophenone","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","BH2010","Rathore, R. S.; Narasimhamurthy, T.; Vijay, T.; Yathirajan, H. S.; Anilkumar, H. G.; Basavaraju, Y. B.","4-Methoxy-3-methylbenzophenone","Acta Crystallographica Section E","2006","62","5","o1749","o1750","10.1107/S1600536806011986","","","0.71073","MoKα","","0.0867","0.0527","","","0.1054","0.1185","","","","","","1.098","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208795","19.432","0.003","12.512","0.002","37.267","0.006","90","","90","","90","","9061","2","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ^2^S,S')tin(IV)","","- C16 H30 N2 S4 Sn -","- C16 H30 N2 S4 Sn -","- C256 H480 N32 S64 Sn16 -","16","2","BI2007","Shahzadi, Saira; Ali, Saqib; Fettouhi, Mohammed","Dimethylbis(4-methylpiperidine-1-dithiocarboxylato-κ^2^<i>S</i>,<i>S</i>')tin(IV)","Acta Crystallographica Section E","2006","62","5","m1178","m1180","10.1107/S1600536806014929","","","0.71073","MoKα","","0.1467","0.0577","","","0.0893","0.1103","","","","","","0.995","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208813","8.6268","0.0014","7.682","0.003","21.034","0.004","90","","90","","90","","1393.9","0.6","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipropiodurene","1,1'-(2,3,5,6-tetramethyl-p-phenylene)dipropan-1-one or 2,3,5,6-tetramethyl-1,4-dipropiophenone","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","0.5","BX2001","Pinkus, A. G.; Klausmeyer, Kevin K.; Carson, Cody E.; Custard, Herman C.","Dipropiodurene","Acta Crystallographica Section E","2006","62","5","o1854","o1855","10.1107/S160053680601261X","","","0.71073","MoKα","","0.0416","0.0377","","","0.1035","0.1081","","","","","","1.058","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208842","12.3492","0.0009","9.0553","0.0014","19.813","0.002","90","","90","","90","","2215.6","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimethyl 3,6-dioxatetracyclo[6.1.0.0^2,4^.0^5,7^]nonane-2,9-dicarboxylate","","- C11 H12 O6 -","- C11 H12 O6 -","- C88 H96 O48 -","8","1","CI2058","Hökelek, Tuncer; Çelik, Murat; Gültekin, M. Serdar; Balcı, Metin","Dimethyl 3,6-dioxatetracyclo[6.1.0.0^2,4^.0^5,7^]nonane-2,9-dicarboxylate","Acta Crystallographica Section E","2006","62","5","o1991","o1993","10.1107/S1600536806014401","","","0.71073","MoKα","","0.079","0.0397","","","0.1015","0.1167","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208876","11.3969","0.0017","12.911","0.002","28.337","0.004","90","","90","","90","","4169.7","1.1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(di-2-pyridylaminato N,N'-dioxide)nickel(II) methanol solvate","","- C21 H20 N6 Ni O5 -","- C21 H20 N6 Ni O5 -","- C168 H160 N48 Ni8 O40 -","8","1","EZ2001","Kuang, Han-Mao; Zeng, Xi-Rui; Liu, Yin-Qiu; Luo, Qiu-Yan; Fang, Xiao-Niu","Bis[bis(1-oxo-2-pyridyl)aminato]nickel(II) methanol solvate","Acta Crystallographica Section E","2006","62","5","m1132","m1133","10.1107/S1600536806014383","","","0.71073","MoKα","","0.059","0.036","","","0.087","0.097","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208885","15.384","0.002","17.603","0.002","19.469","0.002","90","","90","","90","","5272.3","1.1","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine- κP)ruthenium(IV) hexafluorophosphate","","- C26 H26 Br F6 N P2 Ru -","- C26 H26 Br F6 N P2 Ru -","- C208 H208 Br8 F48 N8 P16 Ru8 -","8","1","GK2003","Pavlik, Sonja; Kirchner, Karl; Mereiter, Kurt","(η^3^-Allyl)bromo(η^5^-cyclopentadienyl)(phenylaminodiphenylphosphine-κ<i>P</i>)ruthenium(IV) hexafluorophosphate","Acta Crystallographica Section E","2006","62","5","m1051","m1053","10.1107/S1600536806012712","","","0.71073","MoKα","","0.0401","0.0234","","","0.0493","0.0558","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208902","16.0883","0.0003","19.262","0.0004","22.2566","0.0004","90","","90","","90","","6897.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Triaquatetrakis(dimethylacetamide-κO)gadolinium(III) hexacyanoferrate(III) dihydrate","","- C22 H46 Fe Gd N10 O9 -","- C22 H46 Fe Gd N10 O9 -","- C176 H368 Fe8 Gd8 N80 O72 -","8","1","HG2026","Svendsen, Helle; Overgaard, Jacob; Chevalier, Marie A.; Iversen, Bo B.","Triaquatetrakis(dimethylacetamide-κ<i>O</i>)gadolinium(III) hexacyanoferrate(III) dihydrate","Acta Crystallographica Section E","2006","62","5","m989","m991","10.1107/S1600536806011950","","","0.71073","MoKα","","0.0402","0.0277","","","0.0675","0.0703","","","","","","1.279","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208911","10.582","0.0007","12.5388","0.0009","19.425","0.0013","90","","90","","90","","2577.4","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-Naphthyliminomethyl)phenol","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","HK2028","Cheng, Kui; Zhu, Hai-Liang; Liu, Jing-Jing; Gao, Meng; Zeng, Jun-He","2-(1-Naphthyliminomethyl)phenol","Acta Crystallographica Section E","2006","62","5","o1932","o1933","10.1107/S1600536806013341","","","0.71073","MoKα","","0.0564","0.0459","","","0.1234","0.1303","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208919","8.6366","0.0005","18.1462","0.0012","14.3885","0.0011","90","","90","","90","","2255","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(2-pyridylamino)phthalide","3-(2-pyridylamino)isobenzofuran-1(3H)-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","IS2028","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(2-Pyridylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2079","o2080","10.1107/S1600536806014747","","","0.71073","MoKα","","0.1158","0.0622","","","0.1124","0.1316","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208925","13.7859","0.0002","6.7632","0.0001","21.6642","0.0003","90","","90","","90","","2019.9","0.05","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dierbium(III)]","","- C20 H12 Er2 O12 -","- C20 H12 Er2 O12 -","- C80 H48 Er8 O48 -","4","0.5","JH2011","Qin He; Jun-Feng Zi; Fu-Juan Zhang","Poly[di-μ~4~-1,4-benzenedicarboxylato-μ~6~-succinato-dierbium(III)]","Acta Crystallographica Section E","2006","62","5","m997","m998","10.1107/S160053680601213X","","","0.71073","MoKα","","0.0201","0.0162","","","0.0439","0.0451","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208947","15.2947","0.0012","11.7932","0.0009","17.9949","0.0014","90","","90","","90","","3245.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","O-vanillin copper","Aquabis(2-formyl-6-methoxyphenolato)copper(II)","","- C16 H16 Cu O7 -","- C16 H16 Cu O7 -","- C128 H128 Cu8 O56 -","8","1","LH2043","Lin, Zhi-Dong; Zeng, Wen","Aquabis(2-formyl-6-methoxyphenolato)copper(II)","Acta Crystallographica Section E","2006","62","5","m1074","m1076","10.1107/S1600536806013559","","","0.71073","MoKα","","0.0467","0.0381","","","0.1043","0.1088","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208980","14.2781","0.001","16.1865","0.0012","20.1828","0.0015","90","","90","","90","","4664.5","0.6","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl (E,E)-(2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1H-pyrazol-4- ylmethylene]amino}oxy)methyl]phenyl)-2-(methoxyimino)acetate","","- C23 H23 F N4 O5 -","- C23 H23 F N4 O5 -","- C184 H184 F8 N32 O40 -","8","1","RZ2018","Yan Li; Xiang-Ping Yang; Hong-Quan Zhang; Xiang-Gao Meng; Zhao-Jie Liu","Methyl (<i>E</i>,<i>E</i>)-{2-[({[1,3-dimethyl-5-(2-fluorophenoxy)-1<i>H</i>-pyrazol-4-ylmethylene]amino}oxy)methyl]phenyl}-2-(methoxyimino)acetate","Acta Crystallographica Section E","2006","62","5","o2027","o2029","10.1107/S1600536806014292","","","0.71073","MoKα","","0.1102","0.0586","","","0.1425","0.1723","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208992","7.568","0.001","13.306","0.001","30.28","0.002","90","","90","","90","","3049.2","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Cu N5 O -","- C15 H17 Cu N5 O -","- C120 H136 Cu8 N40 O8 -","8","1","SJ2024","Zhu, Qi-Yong; Wei, Yi-Jun; Wang, Feng-Wu","Azido{1-[2-(dimethylamino)ethyliminomethyl]naphthalenolato}copper(II)","Acta Crystallographica Section E","2006","62","5","m983","m985","10.1107/S1600536806010555","","","0.71073","MoKα","","0.0569","0.0485","","","0.132","0.139","","","","","","1.094","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208995","18.8275","0.001","8.9784","0.0005","20.9951","0.0011","90","","90","","90","","3549","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Benzylidene-2-diethylamino-1-phenyl-1H-imidazol-5(4H)-one","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C160 H168 N24 O8 -","8","1","SJ2030","Gui-Hua Li; Yang-Gen Hu","4-Benzylidene-2-diethylamino-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1691","o1693","10.1107/S1600536806011548","","","0.71073","MoKα","","0.0829","0.0558","","","0.1551","0.1686","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209070","15.533","0.006","11.414","0.005","24.006","0.01","90","","90","","90","","4256","3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethyl 5,10-dihydro-6-iodo-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a- tetraazazbenz[<i>f</i>]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate","","- C20 H21 I N4 O7 -","- C20 H21 I N4 O7 -","- C160 H168 I8 N32 O56 -","8","1","AT2031","Yun-Feng Chen; Mei Xu; An-Xin Wu","Diethyl 5,10-dihydro-6-iodo-4,11-dioxo-<i>cis</i>-1<i>H</i>,3<i>H</i>,4<i>H</i>,11<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2006","62","6","o2254","o2255","10.1107/S1600536806016011","","","0.71073","MoKα","","0.1024","0.0592","","","0.1319","0.1481","","","","","","0.944","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209109","10.6198","0.0011","12.4497","0.0012","20.141","0.002","90","","90","","90","","2662.9","0.5","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dimethyl-2-(p-tolylsulfonyl)butyric acid","","- C13 H18 O4 S -","- C13 H18 O4 S -","- C104 H144 O32 S8 -","8","1","BT2083","Jones, Peter G.; Łysiak, Violetta; Jarzembek, Krystyna; Kuś, Piotr","2,3-Dimethyl-2-(<i>p</i>-tolylsulfonyl)butyric acid","Acta Crystallographica Section E","2006","62","6","o2427","o2428","10.1107/S1600536806017879","","","0.71073","MoKα","","0.0485","0.0366","","","0.0958","0.1045","","","","","","1.024","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209118","18.23","0.003","9.4065","0.0016","19.578","0.003","90","","90","","90","","3357.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[2-(1H-benzimidazol-1-yl)ethyl] ether monohydrate","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C144 H160 N32 O16 -","8","1","CF2024","Cai-Feng Ding; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang","Bis[2-(1<i>H</i>-benzimidazol-1-yl)ethyl] ether monohydrate","Acta Crystallographica Section E","2006","62","6","o2531","o2532","10.1107/S1600536806019088","","","0.71073","MoKα","","0.0549","0.0385","","","0.091","0.1006","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209150","12.175","0.002","16.548","0.003","17.111","0.003","90","","90","","90","","3447.4","1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile","","- C23 H16 N2 -","- C23 H16 N2 -","- C184 H128 N16 -","8","1","DN2029","Qian, Bao-Hua; Liu, Wei-Wei; Lu, Lu-De; Hu, Hong-Weng","(<i>E</i>)-2-Phenyl-3-(2-phenylindolizin-3-yl)acrylonitrile","Acta Crystallographica Section E","2006","62","6","o2363","o2364","10.1107/S1600536806017466","","","0.71073","MoKα","","0.152","0.0405","","","0.0863","0.1221","","","","","","0.967","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209171","26.4265","0.0005","24.8578","0.0005","28.1714","0.0007","90","","90","","90","","18505.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","di-μ~4~-oxo-tetraμ~3~-pivalato-hexa-μ~2~-pivalato-tetrakis(pivalic acid)dimanganese(III)tetramanganese(II)","","- C70 H130 Mn6 O30 -","- C70 H130 Mn6 O30 -","- C560 H1040 Mn48 O240 -","8","1","GK2005","Poyraz, Mehmet; Sarı, Musa; Cevik, Sabri; Büyükgüngör, Orhan","Redetermination of the mixed-valence hexanuclear manganese oxide complex di-μ~4~-oxo-tetra-μ~3~-pivalato-hexa-μ~2~-pivalato-tetrakis(pivalic acid)dimanganese(III)tetramanganese(II) at 100 K","Acta Crystallographica Section E","2006","62","6","m1442","m1444","10.1107/S1600536806019155","","","0.71073","MoKα","","0.1052","0.062","","","0.1803","0.1639","","","","","","0.953","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209180","7.145","0.0012","22.663","0.004","6.9532","0.0011","90","","90","","90","","1125.9","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(biguanido-k^2^N,N')palladium(II) dihydrate","","- C4 H16 N10 O2 Pd -","- C4 H16 N10 O2 Pd -","- C16 H64 N40 O8 Pd4 -","4","0.5","HB2042","Su, Ying-Lan; Zhu, Miao-Li","Bis(biguanido-κ^2^<i>N</i>,<i>N</i>')palladium(II) dihydrate","Acta Crystallographica Section E","2006","62","6","m1188","m1189","10.1107/S1600536806015327","","","0.71073","MoKα","","0.0498","0.0384","","","0.0793","0.0836","","","","","","1.114","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209202","11.417","0.0005","20.8796","0.0017","27.6747","0.0013","90","","90","","90","","6597.2","0.7","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro{P,P'-[3,3'-oxybis(m- phenylenemethylene)]bis(diphenylphosphine)}palladium(II)","","- C38 H32 Cl2 O P2 Pd -","- C38 H32 Cl2 O P2 Pd -","- C304 H256 Cl16 O8 P16 Pd8 -","8","1","HG2034","Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg","<i>trans</i>-Dichloro{<i>P</i>,<i>P</i>'-[3,3'-oxybis(<i>m</i>-phenylenemethylene)]bis(diphenylphosphine)}palladium(II)","Acta Crystallographica Section E","2006","62","6","m1270","m1271","10.1107/S1600536806016710","","","0.71073","MoKα","","0.0859","0.0369","","","0.0643","0.0744","","","","","","0.822","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209204","21.924","0.004","13.52","0.002","23.743","0.004","90","","90","","90","","7038","2","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-N-cyclohexyl-N-(2- thienylmethylene)amido]tetrairon","","- C32 H28 Fe4 N2 O10 S2 -","- C32 H28 Fe4 N2 O10 S2 -","- C256 H224 Fe32 N16 O80 S16 -","8","1","HG2037","Imhof, Wolfgang","Di-μ~2~-carbonyl-octacarbonyl[μ~2~-η^2^,η^2^-<i>N</i>-cyclohexyl-<i>N</i>-(2-thienylmethylene)amine]tetrairon(0)","Acta Crystallographica Section E","2006","62","6","m1350","m1352","10.1107/S1600536806018058","","","0.71073","MoKα","","0.162","0.0664","","","0.107","0.136","","","","","","0.987","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209207","6.506","0.0013","11.344","0.002","14.587","0.003","90","","90","","90","","1076.6","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N'-1,4-Piperazinediacetic acid","2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate","","- C8 H18 N2 O6 -","- C8 H18 N2 O6 -","- C32 H72 N8 O24 -","4","0.5","HK2023","Shen, Li; Wang, Feng-Wu; Cheng, Ai-Bin; Yang, Song","2,2'-(Piperazine-1,4-diium-1,4-diyl)diacetate dihydrate","Acta Crystallographica Section E","2006","62","6","o2242","o2244","10.1107/S1600536806013572","","","0.71073","MoKα","","0.0655","0.0428","","","0.0953","0.1069","","","","","","1.052","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209229","7.8798","0.001","16.225","0.002","16.894","0.002","90","","90","","90","","2159.9","0.5","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2-Dibromo-4,5-bis(bromomethyl)benzene","","- C8 H6 Br4 -","- C8 H6 Br4 -","- C64 H48 Br32 -","8","1","IS2041","Neng-Fang She; Qin Zhao; Guo-Dong Yin; An-Xin Wu","1,2-Dibromo-4,5-bis(bromomethyl)benzene","Acta Crystallographica Section E","2006","62","6","o2523","o2524","10.1107/S1600536806018514","","","0.71073","MoKα","","0.089","0.042","","","0.0964","0.1065","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209352","8.3923","0.0011","9.457","0.0013","15.023","0.002","90","","90","","90","","1192.3","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ~3~-iminodiacetato-manganese(II)]","","- C4 H5 Mn N O4 -","- C4 H5 Mn N O4 -","- C32 H40 Mn8 N8 O32 -","8","1","XU2029","Wang, Hua; Wang, Zhen; Han, Jin-Yu","Poly[μ~3~-iminodiacetato-manganese(II)]","Acta Crystallographica Section E","2006","62","6","m1344","m1345","10.1107/S160053680601590X","","","0.71073","MoKα","","0.028","0.021","","","0.051","0.053","","","","","","1.037","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209375","8.0455","0.0006","11.7674","0.0009","39.887","0.003","90","","90","","90","","3776.3","0.5","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-Chlorophenyl)-5-ethyl-6-methyl-2-morpholinothieno[2,3-d]pyrimidin- 4(3H)-one","","- C19 H20 Cl N3 O2 S -","- C19 H20 Cl N3 O2 S -","- C152 H160 Cl8 N24 O16 S8 -","8","1","AT2037","Zheng-Dong Fang; Ming-Wu Ding","3-(4-Chlorophenyl)-5-ethyl-6-methyl-2-morpholinothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2869","o2871","10.1107/S1600536806020897","","","0.71073","MoKα","","0.0685","0.0562","","","0.1413","0.1525","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209415","16.933","0.004","10.918","0.003","28.116","0.006","90","","90","","90","","5198","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(2-sulfonatobenzoato-κ^2^O:O')zinc(II)]- μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N'] N,N-dimethylformamide solvate]","","- C23 H29 N3 O8 S Zn -","- C23 H29 N3 O8 S Zn -","- C184 H232 N24 O64 S8 Zn8 -","8","1","BT2108","Hong-Ping Xiao","<i>catena</i>-Poly[[[diaqua(2-sulfonatobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]-μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>'] <i>N</i>,<i>N</i>-dimethylformamide solvate]","Acta Crystallographica Section E","2006","62","7","m1611","m1612","10.1107/S1600536806022781","","","0.71073","MoKα","","0.079","0.0722","","","0.1381","0.1409","","","","","","1.349","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209448","9.4664","0.0018","9.5316","0.0017","23.823","0.005","90","","90","","90","","2149.5","0.7","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(3-Fluorobenzyl)-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1H)-one","","- C11 H11 F N2 O S -","- C11 H11 F N2 O S -","- C88 H88 F8 N16 O8 S8 -","8","1","CI2070","Chen-Xia Yu; Chang-Sheng Yao; Shu-Jiang Tu; Xiang-Shan Wang; Hong Jiang","3-(3-Fluorobenzyl)-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2981","o2982","10.1107/S1600536806022422","","","0.71073","MoKα","","0.0744","0.0384","","","0.0865","0.1033","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209463","15.7845","0.0008","10.6592","0.0014","16.872","0.002","90","","90","","90","","2838.7","0.5","299","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-benzyl-1-(dimethylamino)-2-methyl-1-oxopropan-2-aminium bromide","","- C13 H21 Br N2 O -","- C13 H21 Br N2 O -","- C104 H168 Br8 N16 O8 -","8","1","CV2066","Pavel Tuzina; Andreas Fischer; Peter Somfai","<i>N</i>-Benzyl-1-(dimethylamino)-2-methyl-1-oxopropan-2-aminium bromide","Acta Crystallographica Section E","2006","62","7","o2971","o2972","10.1107/S1600536806023026","","","0.71073","MoKα","","0.1334","0.0582","","","0.0863","0.1084","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209474","8.3942","0.0007","22.426","0.002","15.855","0.002","90","","90","","90","","2984.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Acetyl-2-methoxyphenoxy)benzene-1,2-dinitrile","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C136 H96 N16 O24 -","8","1","DN2041","Kartal, Aslı; Albayrak, Çig̃dem; Ağar, Ayşen; Ocak Ískeleli, Nazan; Erdönmez, Ahmet","4-(4-Acetyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2006","62","7","o2720","o2721","10.1107/S1600536806020204","","","0.71073","MoKα","","0.2181","0.0741","","","0.1058","0.1431","","","","","","0.985","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209488","9.5251","0.0005","15.4476","0.0008","19.3226","0.0011","90","","90","","90","","2843.1","0.3","187","2","187","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","methyclothiazide","6-chloro-3-chloromethyl-3,4-dihydro-2-methyl-7-sulfamoyl-1,2,4-benzo- thiadiazine 1,1-dioxide","","- C9 H11 Cl2 N3 O4 S2 -","- C9 H11 Cl2 N3 O4 S2 -","- C72 H88 Cl16 N24 O32 S16 -","8","1","EZ2002","Zhou, Hua; Hu, Ning-Hai; Li, Zhi-Gang; Dou, Yan-Li; Xu, Jing-Wei","Methyclothiazide: a hydrogen-bonded layer structure","Acta Crystallographica Section E","2006","62","7","o3009","o3010","10.1107/S1600536806016977","","","0.71073","MoKα","","0.037","0.035","","","0.091","0.092","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209489","16.126","0.004","12.852","0.004","23.725","0.006","90","","90","","90","","4917","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1'-Methyl-4'-(1-naphthyl)-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''- thiazolo[3,2-a][1,3]benzimidazole-2(3H),3''(2''H)-dione","","- C30 H22 N4 O2 S -","- C30 H22 N4 O2 S -","- C240 H176 N32 O16 S8 -","8","1","EZ2005","Xiu-Ling Zhang; Ai-Zhen Liu; Mei-Fang Jin","1'-Methyl-4'-(1-naphthyl)-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-thiazolo[3,2-<i>a</i>]benzimidazole-2(3<i>H</i>),3''(2''<i>H</i>)-dione","Acta Crystallographica Section E","2006","62","7","o2961","o2962","10.1107/S1600536806022847","","","0.71073","MoKα","","0.086","0.043","","","","0.114","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209492","11.4464","0.0011","7.5202","0.0007","28.277","0.003","90","","90","","90","","2434.1","0.4","292","2","292","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(1,3-benzodioxol-5-yl)-1-phenyl-2-propen-1-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","EZ2010","Xu-Hong Yang; Ming-Hu Wu; Wei-Dong Zou; Chuan Li","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one","Acta Crystallographica Section E","2006","62","7","o3117","o3118","10.1107/S1600536806024597","","","0.71073","MoKα","","0.0669","0.0473","","","0.1025","0.1099","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209523","8.2388","0.0007","19.9018","0.0017","25.697","0.002","90","","90","","90","","4213.5","0.6","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1H-imidazol-5(4H)-one","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C184 H216 N24 O16 -","8","1","HB2089","Shao-Fa Sun","2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3107","o3108","10.1107/S1600536806024457","","","0.71073","MoKα","","0.0925","0.0585","","","0.1496","0.1641","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209554","10.817","0.002","13.679","0.003","29.37","0.006","90","","90","","90","","4345.8","1.5","315","2","313","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,7-Dichloro-3,7-diphenylbenzo[1,2-c;4,5-c']difuran-1,5(3H,7H)-dione cyclohexane 0.25-solvate","","- C23.5 H15 Cl4 O8 -","- C23.5 H15 Cl2 O4 -","- C188 H120 Cl16 O32 -","8","1","HK2067","Shan Liu; Jing-Ning Liu; Guang-Liang Song; Ya-Ming Wu; Hong-Jun Zhu","3,7-Dichloro-3,7-diphenylbenzo[1,2-<i>c</i>;4,5-<i>c</i>']difuran-1,5(3<i>H</i>,7<i>H</i>)-dione cyclohexane 0.25-solvate","Acta Crystallographica Section E","2006","62","7","o3099","o3100","10.1107/S160053680602410X","","","0.71073","MoKα","","0.1731","0.0864","","","0.1968","0.2293","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209613","16.878","0.004","16.488","0.004","24.107","0.005","90","","90","","90","","6709","3","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{2-[1-(N-Benzyl-N-methylamino)ethyl]ferrocenyl- κ^2^N,C^1^}chloro(triphenylphosphine-κP)palladium(II)","","- C38 H37 Cl Fe N P Pd -","- C38 H37 Cl Fe N P Pd -","- C304 H296 Cl8 Fe8 N8 P8 Pd8 -","8","1","OB2021","Hong-Xing Wang; Feng-Ying Geng; Jian Xu; Hong-Fei Wu; Ren-Qing Gao","{2-[1-(<i>N</i>-Benzyl-<i>N</i>-methylamino)ethyl]ferrocenyl- κ^2^<i>N</i>,<i>C</i>^1^}chloro(triphenylphosphine-κ<i>P</i>)palladium(II)","Acta Crystallographica Section E","2006","62","7","m1485","m1486","10.1107/S1600536806020307","","","0.71073","MoKα","","0.035","0.0242","","","0.0565","0.0606","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209634","11.121","0.002","7.242","0.0014","32.691","0.007","90","","90","","90","","2632.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{1-[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]ethan-2-yl}-1H-1,2,4-triazole","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C96 H88 Cl16 N24 O16 -","8","1","RZ2037","Xie, Xue-Qun; Yang, Chun-Long; Luo, Jin-Xiang; Li, Qian-Jin","1-{[1-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2006","62","7","o2858","o2859","10.1107/S1600536806021386","","","0.71073","MoKα","","0.0883","0.0572","","","0.0981","0.102","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209641","11.668","0.004","20.397","0.006","20.804","0.006","90","","90","","90","","4951","3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4- tetrahydropyrimidine-5-carboxylate","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C216 H216 N24 O16 S8 -","8","1","RZ2045","Shuwen Wang; Wei-Si Guo; Li-Rong Wen; Ming Li","Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2006","62","7","o2856","o2857","10.1107/S1600536806021933","","","0.71073","MoKα","","0.1254","0.0471","","","0.1007","0.1432","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209643","6.7815","0.0016","9.348","0.002","16.509","0.004","90","","90","","90","","1046.6","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[diaquadisodium(di-μ-malonato)cobalt(II)]","","- C6 H8 Co Na2 O10 -","- C6 H8 Co Na2 O10 -","- C24 H32 Co4 Na8 O40 -","4","0.5","SA2007","Da-Qi Wang","Poly[diaqua-di-μ-malonato-cobalt(II)disodium(I)]","Acta Crystallographica Section E","2006","62","7","m1530","m1532","10.1107/S1600536806021416","","","0.71073","MoKα","","0.0464","0.0276","","","0.0752","0.0913","","","","","","1.001","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2209644","10.093","0.002","8.808","0.0019","35.159","0.008","90","","90","","90","","3125.6","1.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N-methyl-N-(4-chlorophenyl)amino]methylferrocene","","- C18 H18 Cl Fe N -","- C18 H18 Cl Fe N -","- C144 H144 Cl8 Fe8 N8 -","8","1","SA2008","Wang, Hong-Xing; Gao, Ren-Qing; Wu, Hong-Fei; Geng, Feng-Ying; Yang, Xiao-Li","{[<i>N</i>-(4-Chlorophenyl)-<i>N</i>-methylamino]methyl}ferrocene","Acta Crystallographica Section E","2006","62","7","m1494","m1495","10.1107/S1600536806021155","","","0.71073","MoKα","","0.084","0.0471","","","0.1199","0.1471","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209649","16.7367","0.0005","11.3713","0.0002","19.9214","0.0005","90","","90","","90","","3791.4","0.16","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","dichlorotris(pentafluorophenyl)phosphorane","","- C18 Cl2 F15 P -","- C18 Cl2 F15 P -","- C144 Cl16 F120 P8 -","8","1","SG2035","Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Mushtaq, Imrana; Pritchard, Robin G.","An orthorhombic polymorph of dichlorotris(pentafluorophenyl)phosphorane","Acta Crystallographica Section E","2006","62","7","o2872","o2874","10.1107/S1600536806021751","","","0.71073","MoKα","","0.0593","0.0388","","","0.09","0.101","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209696","14.291","0.001","8.699","0.001","17.529","0.001","90","","90","","90","","2179.2","0.3","296","","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3-(2-thiazolylamino)phthalide","3-(thiazol-2-ylamino)isobenzofuran-1(3H)-one","","- C11 H8 N2 O2 S -","- C11 H8 N2 O2 S -","- C88 H64 N16 O16 S8 -","8","1","WW2023","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(Thiazol-2-ylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2866","o2868","10.1107/S1600536806022574","","","0.71073","MoKα","","0.058","0.04","","","0.0986","0.1061","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209742","6.7916","0.001","12.694","0.009","15.93","0.007","90","","90","","90","","1373.4","1.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethylenediammonium fluorotrioxophosphate","","- C2 H10 F N2 O3 P -","- C2 H10 F N2 O3 P -","- C16 H80 F8 N16 O24 P8 -","8","1","BH2026","Fábry, Jan; Dušek, Michal; Krupková, Radmila; Vaněk, Přemysl","Ethylenediammonium fluorotrioxophosphate at 150 K","Acta Crystallographica Section E","2006","62","8","o3217","o3219","10.1107/S1600536806025396","","","0.71069","MoKα","","0.0312","0.0246","","","0.0746","0.0758","","","","","","1.41","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209748","13.3482","0.0009","7.6922","0.0005","25.3822","0.0017","90","","90","","90","","2606.2","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","BI2018","Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang; Sheng, Liang-Quan","(E)-3-(4-Hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3324","o3325","10.1107/S1600536806022926","","","0.71073","MoKα","","0.1235","0.0528","","","0.1119","0.1388","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209773","16.7083","0.0008","10.916","0.0005","21.0628","0.001","90","","90","","90","","3841.6","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[bis(acetonitrile-κN)bis{μ-2-[(2- carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]","","- C30 H36 Cl2 Cu2 N6 O16 -","- C30 H36 Cl2 Cu2 N6 O16 -","- C120 H144 Cl8 Cu8 N24 O64 -","4","0.5","BT2146","Musie, Ghezai T.; Li, Xiaobao; Klausmeyer, Kevin K.","Poly[[bis(acetonitrile-κ<i>N</i>)bis{μ-2-[(2-carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]","Acta Crystallographica Section E","2006","62","8","m1966","m1968","10.1107/S160053680602839X","","","0.71073","MoKα","","0.052","0.0318","","","0.073","0.0798","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209795","13.226","0.002","13.594","0.002","30.205","0.005","90","","90","","90","","5430.7","1.5","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Cl N2 O P2 Pd -","- C29 H25 Cl N2 O P2 Pd -","- C232 H200 Cl8 N16 O8 P16 Pd8 -","8","1","CI2093","Li, Peng; Li, Qing-Shan; Xu, Feng-Bo; Song, Hai-Bin; Zhang, Zheng-Zhi","Chloro[<i>N</i>-(diphenylphosphino)pyridin-2-amine-κ^2^<i>N</i>^1^,<i>P</i>](diphenylphosphoryl)palladium(II)","Acta Crystallographica Section E","2006","62","8","m1825","m1826","10.1107/S1600536806026055","","","0.71073","MoKα","","0.142","0.057","","","0.0949","0.1234","","","","","","1.123","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209881","10.2268","0.0001","16.7196","0.0002","18.2311","0.0002","90","","90","","90","","3117.3","0.06","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-butanediamminium dihydrogendecavanadate","","- C8 H30 N4 O28 V10 -","- C8 H30 N4 O28 V10 -","- C32 H120 N16 O112 V40 -","4","0.5","HK2073","Rakovský, Erik; Gyepes, Robert","Butane-1,4-diammonium dihydrogendecavanadate(V)","Acta Crystallographica Section E","2006","62","8","m1820","m1822","10.1107/S1600536806026249","","","0.7107","MoKα","","0.0236","0.0212","","","0.0541","0.0563","","","","","","1.23","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209894","13.617","0.002","13.883","0.002","17.501","0.003","90","","90","","90","","3308.5","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan- 2-olato}-κ^8^N^2^,O:O,N^2'^-bis[(acetato-κ^2^O,O')nickel(II)]","","- C30 H28 F4 N12 Ni2 O6 -","- C30 H28 F4 N12 Ni2 O6 -","- C120 H112 F16 N48 Ni8 O24 -","4","0.5","HY2009","Yun Gong; Wang Tang; Wen-Bin Hou; Zhong-Yong Zha; Chang-Wen Hu","Bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-olato]-κ^8^<i>N</i>^2^,<i>O</i>:<i>O</i>,<i>N</i>^2'^-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')nickel(II)]","Acta Crystallographica Section E","2006","62","8","m1827","m1829","10.1107/S1600536806026584","","","0.71073","MoKα","","0.0687","0.0349","","","0.0751","0.0978","","","","","","1.113","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209907","9.574","0.004","11.592","0.005","16.06","0.005","90","","90","","90","","1782.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(azaferrocene)dichloropalladium(II)","","- C18 H18 Cl2 Fe2 N2 Pd -","- C18 H18 Cl2 Fe2 N2 Pd -","- C72 H72 Cl8 Fe8 N8 Pd4 -","4","0.5","JH2024","Lucjan B. Jerzykiewicz; Konrad Kowalski; Janusz Zakrzewski","<i>trans</i>-Bis(azaferrocene)dichloropalladium(II)","Acta Crystallographica Section E","2006","62","8","m1832","m1834","10.1107/S1600536806026729","","","0.71073","MoKα","","0.0363","0.0324","","","0.0841","0.0867","","","","","","1.139","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209911","7.898","0.002","11.91","0.005","35.17","0.016","90","","90","","90","","3308","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-5-tert-Butyl-1-cinnamoylthiobiuret","","- C15 H19 N3 O2 S -","- C15 H19 N3 O2 S -","- C120 H152 N24 O16 S8 -","8","1","KP2028","Xue, Si-Jia; Chai, An; Guo, Yan-Lin; Wang, Qing-Dong","(<i>E</i>)-5-<i>tert</i>-Butyl-1-cinnamoylthiobiuret","Acta Crystallographica Section E","2006","62","8","o3157","o3158","10.1107/S160053680602280X","","","0.71073","MoKα","","0.0951","0.0756","","","0.1628","0.1719","","","","","","1.148","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210012","11.113","0.003","9.084","0.003","16.059","0.004","90","","90","","90","","1621.2","0.8","153.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Amino-5-methoxycarbonyltropone","Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","TK2066","Kubo, Kanji; Matsumoto, Taisuke; Hashimoto, Masashi; Mori, Akira","Methyl 4-amino-5-oxocyclohepta-1,3,6-triene-1-carboxylate","Acta Crystallographica Section E","2006","62","8","o3584","o3586","10.1107/S1600536806028807","","","1.54187","CuKα","","","0.041","","","","0.109","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210036","10.565","0.007","8.274","0.006","41.17","0.03","90","","90","","90","","3599","4","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole","","- C22 H18 F N O2 -","- C22 H18 F N O2 -","- C176 H144 F8 N8 O16 -","8","1","XU2092","Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.","5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2006","62","8","o3547","o3548","10.1107/S1600536806028406","","","0.71073","MoKα","","0.152","0.1","","","0.192","0.219","","","","","","1.322","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210080","14.362","0.005","8.22","0.003","14.36","0.002","90","","90","","90","","1695.3","0.9","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Hydroxy-4,6-dimethyl-3H-isobenzofuran-1-one","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","1","BH2039","Wang, Ruo-Yu; Fang, Mei-Juan; Huang, Yao-Jian; Zheng, Zhong-Hui; Shen, Yue-Mao","7-Hydroxy-4,6-dimethyl-3<i>H</i>-isobenzofuran-1-one","Acta Crystallographica Section E","2006","62","9","o4172","o4173","10.1107/S1600536806033939","","","0.71073","MoKα","","0.0671","0.0606","","","0.1561","0.1612","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210109","10.1723","0.0006","10.3446","0.0009","17.6278","0.001","90","","90","","90","","1854.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","","- C8 H9 Br O3 S -","- C8 H9 Br O3 S -","- C64 H72 Br8 O24 S8 -","8","1","BT2156","Koşar, Başak; Göktürk, Ersen; Demircan, Aydın; Büyükgüngör, Orhan","5-Bromo-10-oxa-3-thiatricyclo[5.2.1.0^1,5^]dec-8-ene 3,3-dioxide","Acta Crystallographica Section E","2006","62","9","o3868","o3869","10.1107/S160053680603090X","","","0.71073","MoKα","","0.0581","0.0354","","","0.062","0.0691","","","","","","0.952","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210161","14.866","0.003","10.499","0.002","24.121","0.005","90","","90","","90","","3764.8","1.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-1,3-Dimethyl-5-p-tolyloxy-1H-pyrazole-4-carbaldehyde O-(6-chloropyridazin-3-yl)oxime","","- C18 H18 Cl N5 O2 -","- C18 H18 Cl N5 O2 -","- C144 H144 Cl8 N40 O16 -","8","1","CI2132","Fang-Zhong Hu; Yong-Qiang Chang; Yong-Quan Zhu; XiaO Miao Zou; Hua-Zheng Yang","(<i>E</i>)-1,3-Dimethyl-5-<i>p</i>-tolyloxy-1<i>H</i>-pyrazole-4-carbaldehyde <i>O</i>-(6-chloropyridazin-3-yl)oxime","Acta Crystallographica Section E","2006","62","9","o3676","o3677","10.1107/S160053680602993X","","","0.71073","MoKα","","0.1378","0.0554","","","0.1368","0.1867","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210178","9.4","0.002","10.739","0.002","31.821","0.007","90","","90","","90","","3212.2","1.2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Dimethoxyphosphoryl)(phenyl)methyl benzoate","","- C16 H17 O5 P -","- C16 H17 O5 P -","- C128 H136 O40 P8 -","8","1","CS2009","Fang, Hua; Zeng, Zhi-Ping; Fang, Mei-Juan; Ji, Tao; Zhao, Yu-Fen","(Dimethoxyphosphoryl)(phenyl)methyl benzoate","Acta Crystallographica Section E","2006","62","9","o3797","o3798","10.1107/S1600536806028492","","","0.71073","MoKα","","0.0774","0.0602","","","0.1642","0.1784","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210194","7.6626","0.0001","18.2969","0.0003","19.4176","0.0003","90","","90","","90","","2722.38","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl N-(4-phenyl-1,3-thiazol-2-yl)dithioimidocarbonate","","- C12 H12 N2 S3 -","- C12 H12 N2 S3 -","- C96 H96 N16 S24 -","8","1","CV2094","Sema Öztürk Yıldırım; Mehmet Akkurt; Murat Koca; Memet Şekerci; H.-K. Fun","Dimethyl <i>N</i>-(4-phenyl-1,3-thiazol-2-yl)dithioimidocarbonate","Acta Crystallographica Section E","2006","62","9","o3902","o3903","10.1107/S1600536806031382","","","0.71069","MoKα","","0.0887","0.0416","","","0.0897","0.1064","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210208","11.158","0.004","7.674","0.003","30.95","0.012","90","","90","","90","","2650.1","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']nickel(II) monohydrate","","- C10 H15 N Ni O8 -","- C10 H15 N Ni O8 -","- C80 H120 N8 Ni8 O64 -","8","1","EZ2018","Xu-Hui Liu; Jin-Hua Cai; Yi-Min Jiang; Ying-Heng Huang; Xiu-Ju Yin","Triaqua[<i>N</i>-(5-formysalicylidene)glycinato(2‒)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']nickel(II) monohydrate","Acta Crystallographica Section E","2006","62","9","m2119","m2121","10.1107/S1600536806030698","","","0.71073","MoKα","","0.053","0.038","","","0.087","0.092","","","","","","1.01","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2210214","8.2673","0.0009","9.0198","0.0007","26.565","0.002","90","","90","","90","","1980.9","0.3","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Acetophenonaminoguanidine","2-(1-Phenylethylideneamino)guanidine","","- C9 H12 N4 -","- C9 H12 N4 -","- C72 H96 N32 -","8","1","EZ2024","Demir, Sibel; Dinçer, Muharrem; Sarıpınar, Emin","2-(1-Phenylethylideneamino)guanidine","Acta Crystallographica Section E","2006","62","9","o4194","o4195","10.1107/S160053680603399X","","","0.71073","MoKα","","0.089","0.049","","","0.107","0.125","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210222","8.4312","0.0005","14.1135","0.0007","14.7463","0.0007","90","","90","","90","","1754.72","0.16","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-Dichlorotetrakis(dimethylsulfide)ruthenium(II)","","- C8 H24 Cl2 Ru S4 -","- C8 H24 Cl2 Ru S4 -","- C32 H96 Cl8 Ru4 S16 -","4","0.5","FI2006","Abbasi, Alireza; Azizi, Fereshteh; Eriksson, Lars; Sandström, Magnus","<i>trans</i>-Dichlorotetrakis(dimethyl sulfide)ruthenium(II)","Acta Crystallographica Section E","2006","62","9","m2295","m2296","10.1107/S1600536806032867","","","0.71073","MoKα","","0.0495","0.0383","","","0.0796","0.0852","","","","","","1.123","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210252","8.1865","0.0013","20.9285","0.0016","28.304","0.002","90","","90","","90","","4849.4","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H26 As N5 O10 -","- C20 H26 As N5 O10 -","- C160 H208 As8 N40 O80 -","8","1","HB2119","Tian-Tian Pan; Bing-Xin Liu; Duan-Jun Xu","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidinium 4-hydroxy-3-nitrophenyl-arsonate monohydrate","Acta Crystallographica Section E","2006","62","9","m2198","m2199","10.1107/S1600536806032090","","","0.71073","MoKα","","0.066","0.057","","","0.115","0.119","","","","","","1.212","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2210274","7.119","0.002","16.922","0.004","20.671","0.005","90","","90","","90","","2490.2","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[2-(Methylammonio)ethyliminiomethyl]-4-nitrophenolate nitrate","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C80 H112 N32 O48 -","8","1","HG2094","Zhao, Li-Fang","2-[2-(Methylammonio)ethyliminiomethyl]-4-nitrophenolate nitrate","Acta Crystallographica Section E","2006","62","9","o3970","o3971","10.1107/S1600536806032594","","","0.71073","MoKα","","0.1365","0.0707","","","0.1389","0.1643","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210303","10.269","0.002","11.194","0.002","19.006","0.004","90","","90","","90","","2184.8","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","chromene","6-Acetyl-5-hydroxy-2,2-dimethyl-2H-chromene","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","JH2031","Rodríguez-López, Verónica; Moreno-Escobar, J. Armando; Ávila-Torres, Olga; Tlahuext, Hugo","6-Acetyl-5-hydroxy-2,2-dimethyl-2<i>H</i>-chromene","Acta Crystallographica Section E","2006","62","9","o3616","o3617","10.1107/S1600536806028947","","","0.71073","MoKα","","0.0645","0.058","","","0.1128","0.1155","","","","","","1.23","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210304","12.0026","0.0015","14.5838","0.0017","18.364","0.002","90","","90","","90","","3214.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4RS,6SR)2-amino-6-phenyl-4-p-tolyl-5,6-dihydro-4H-1,3-thiazin-3-ium chloride","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C136 H152 Cl8 N16 S8 -","8","1","JH2033","Jie-Ping Wan; Dan-Hua Wang; Hui Xu; Cui-Rong Sun","(4<i>RS</i>,6<i>SR</i>)-2-Amino-6-phenyl-4-<i>p</i>-tolyl-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride","Acta Crystallographica Section E","2006","62","9","o3667","o3669","10.1107/S1600536806029485","","","0.71073","MoKα","","0.0799","0.0437","","","0.1005","0.1195","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210314","13.6266","0.0004","10.3234","0.0003","20.6939","0.0006","90","","90","","90","","2911.07","0.15","100","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile] tricarbonylchromium(0)","","- C17 H10 Cr N2 O4 -","- C17 H10 Cr N2 O4 -","- C136 H80 Cr8 N16 O32 -","8","1","KP2047","Duke, III, Charles B.; Ross, II, Charles R.; Burkey, Theodore J.","[η^6^-2-Benzoyl-2-(1,2-dihydropyridin-2-ylidene)acetonitrile]tricarbonylchromium(0)","Acta Crystallographica Section E","2006","62","9","m2086","m2088","10.1107/S1600536806029904","","","1.54178","CuKα","","","0.0413","","","","0.1202","","","","","","1.087","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210318","11.1234","0.0005","7.7504","0.0004","28.4607","0.0011","90","","90","","90","","2453.62","0.19","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(1,3-Benzodioxol-5-yl)-1-phenylprop-2-en-1-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C128 H96 O24 -","8","1","LH2140","Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Bindya, S.; Bolte, Michael","3-(1,3-Benzodioxol-5-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2006","62","9","o3629","o3630","10.1107/S160053680602767X","","","0.71073","MoKα","","0.0372","0.0345","","","0.0901","0.0919","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210347","13.61","0.0002","21.106","0.0003","17.573","0.0003","90","","90","","90","","5047.89","0.13","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diacetonitrile-μ~2~-acetato-μ~2~-N,N'-bis(2-hydroxyphenyl)pyridine- 2,6-dicarboxamide)potassium(I)]","","- C25 H24 K N5 O6 -","- C25 H24 K N5 O6 -","- C200 H192 K8 N40 O48 -","8","1","NG2075","Pérez, Yolanda; Johnson, Andrew L.; Raithby, Paul R.","Poly[μ~2~-acetato-diacetonitrile[μ~2~-<i>N</i>,<i>N</i>'-bis(2-hydroxyphenyl)pyridine-2,6-dicarboxamide]potassium(I)]","Acta Crystallographica Section E","2006","62","9","m2359","m2360","10.1107/S1600536806033678","","","0.71073","MoKα","","","0.0622","","","","0.1825","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210372","11.4895","0.0008","15.7158","0.0011","22.1792","0.0016","90","","90","","90","","4004.8","0.5","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","C~19~H~16~Cl~2~NO~5~P","Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate","","- C19 H16 Cl2 N O5 P -","- C19 H16 Cl2 N O5 P -","- C152 H128 Cl16 N8 O40 P8 -","8","1","SJ2071","Liang, Ying; He, Hong-Wu; Wang, Ya-Zhou; Chen, Ting","Dimethyl [(3,7-dichloroquinolin-8-ylcarbonyloxy)(phenyl)methyl]phosphonate","Acta Crystallographica Section E","2006","62","9","o3652","o3654","10.1107/S1600536806019039","","","0.71073","MoKα","","0.0722","0.0515","","","0.1193","0.1305","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210410","9.475","0.004","9.844","0.004","36.821","0.015","90","","90","","90","","3434","2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(Pyridin-2)cyclopropanecarboxamide","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C144 H160 N32 O16 -","16","2","WN2049","Li Tian; Bin Liu","<i>N</i>-(2-Pyridyl)cyclopropanecarboxamide","Acta Crystallographica Section E","2006","62","9","o4183","o4185","10.1107/S1600536806032971","","","0.71073","MoKα","","0.1079","0.0446","","","0.0972","0.1139","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210495","7.3423","0.0016","19.487","0.004","20.022","0.004","90","","90","","90","","2864.7","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzenesulfonyl-5-chloro-2,4-dimethoxybenzene","","- C14 H13 Cl O4 S -","- C14 H13 Cl O4 S -","- C112 H104 Cl8 O32 S8 -","8","1","BH2042","Wu, Ya","1-Benzenesulfonyl-5-chloro-2,4-dimethoxybenzene","Acta Crystallographica Section E","2006","62","10","o4272","o4273","10.1107/S1600536806034647","","","0.71073","MoKα","","0.0819","0.0398","","","0.0883","0.1066","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210533","11.232","0.004","7.759","0.003","30.973","0.011","90","","90","","90","","2699.3","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formysalicylidene)glycinato(2-)-κ^3^O,N,O']zinc(II) monohydrate","","- C10 H15 N O8 Zn -","- C10 H15 N O8 Zn -","- C80 H120 N8 O64 Zn8 -","8","1","BX2026","Jin-Hua Cai; Ying-Heng Huang; Yi-Min Jiang","Triaqua[<i>N</i>-(5-formysalicylidene)glycinato(2‒)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']zinc(II) monohydrate","Acta Crystallographica Section E","2006","62","10","m2432","m2434","10.1107/S1600536806034581","","","0.71073","MoKα","","0.0502","0.0372","","","0.0947","0.0985","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210539","11.524","0.003","7.7133","0.0019","24.89","0.006","90","","90","","90","","2212.4","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-hydroxyphenyl)isoindoline-1,3-dione","","- C14 H9 N O3 -","- C14 H9 N O3 -","- C112 H72 N8 O24 -","8","1","CI2156","Liang, Zu-Pei; Li, Jian","2-(4-Hydroxyphenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","10","o4436","o4437","10.1107/S1600536806035963","","","0.71073","MoKα","","0.0981","0.0426","","","0.1069","0.1404","","","","","","0.918","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210576","8.0888","0.0004","7.1356","0.0004","44.235","0.003","90","","90","","90","","2553.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[2-(2-Thienyl)ethoxy]phthalonitrile","","- C14 H10 N2 O S -","- C14 H10 N2 O S -","- C112 H80 N16 O8 S8 -","8","1","DN2060","Yavuz Köysal; Şamil Işık; Nazan Ocak Iskeleli; Mahmut Durmuş; Vefa Ahsen","3-[2-(2-Thienyl)ethoxy]phthalonitrile","Acta Crystallographica Section E","2006","62","10","o4261","o4262","10.1107/S1600536806034830","","","0.71073","MoKα","","0.1076","0.0708","","","0.2143","0.2442","","","","","","0.952","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210579","15.2885","0.0013","11.9367","0.001","19.2389","0.0016","90","","90","","90","","3511","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","tris(ethylenediamine)nickel(II) hexaselenodistannate","","- C12 H48 N12 Ni2 Se6 Sn2 -","- C12 H48 N12 Ni2 Se6 Sn2 -","- C48 H192 N48 Ni8 Se24 Sn8 -","4","0.5","EZ2014","Hai-Bao Duan; Zhan Hu; Bing Jia; Yong-Lin An","Solvothermal synthesis and characterization of tris(ethylenediamine)nickel(II) hexaselenodistannate(IV)","Acta Crystallographica Section E","2006","62","10","m2709","m2710","10.1107/S1600536806038050","","","0.71073","MoKα","","0.043","0.03","","","0.065","0.068","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210593","10.023","0.0004","11.2803","0.0005","28.6327","0.0014","90","","90","","90","","3237.3","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","mer,cis-trichlorotris(dimethyl sulfoxide)rhodium(III)","","- C6 H18 Cl3 O3 Rh S3 -","- C6 H18 Cl3 O3 Rh S3 -","- C48 H144 Cl24 O24 Rh8 S24 -","8","1","FI2012","Abbasi, Alireza; Azizi, Fereshteh; Eriksson, Lars; Sandström, Magnus","A new polymorph of <i>mer</i>,<i>cis</i>-trichlorotris(dimethyl sulfoxide)rhodium(III)","Acta Crystallographica Section E","2006","62","10","m2651","m2652","10.1107/S1600536806037329","","","0.71073","MoKα","","0.0493","0.0344","","","0.0835","0.086","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210643","13.902","0.003","9.337","0.0019","35.815","0.007","90","","90","","90","","4648.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2-(Diphenylphosphino)phenyliminomethyl]ferrocene","","- C29 H24 Fe N P -","- C29 H24 Fe N P -","- C232 H192 Fe8 N8 P8 -","8","1","HG2079","Xiao-Lin Zhang; Ren-Yun Kuang; Qian-Yong Cao; Lai-Tao Luo","[2-(Diphenylphosphino)phenyliminomethyl]ferrocene","Acta Crystallographica Section E","2006","62","10","m2491","m2492","10.1107/S1600536806035082","","","0.71073","MoKα","","0.1725","0.0789","","","0.1569","0.1919","","","","","","0.948","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210656","13.812","0.003","7.54","0.0015","16.708","0.003","90","","90","","90","","1740","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methyl-1-phenyl-4,5-dihydro-1,2,4-triazol-5(1H)-one","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C72 H72 N24 O8 -","8","1","HK2117","Jing, Heng; Hong-Jun Zhu; Shan Liu; Wei Zheng; Ya-Ming Wu","3-Methyl-1-phenyl-4,5-dihydro-1,2,4-triazol-5(1<i>H</i>)-one","Acta Crystallographica Section E","2006","62","10","o4318","o4319","10.1107/S1600536806035100","","","0.71073","MoKα","","0.1044","0.0545","","","0.1225","0.1458","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210679","16.435","0.002","8.6228","0.0013","17.634","0.003","90","","90","","90","","2499","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","di-μ-cyano-1:2κ^2^C:N;2:3κ^2^N:C-dicyano-1κC,3κC-(5,7,7,12,14,14- hexamethyl-1,4,8,11-tetraazacylotetradecane-2κ^4^N)nickel(II)disilver(I)","","- C20 H36 Ag2 N8 Ni -","- C20 H36 Ag2 N8 Ni -","- C80 H144 Ag8 N32 Ni4 -","4","0.5","JH2029","Ying-Ying Kou; Wen Gu; Zhan-Quan Liu; Hui Liu; Shi-Ping Yan","Di-μ-cyano-1:2κ^2^<i>C</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>C</i>-dicyano-1κ<i>C</i>,3κ<i>C</i>-(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacylotetradecane-2κ^4^<i>N</i>)nickel(II)disilver(I)","Acta Crystallographica Section E","2006","62","10","m2631","m2633","10.1107/S1600536806036853","","","0.71073","MoKα","","0.0446","0.0278","","","0.0718","0.0774","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210723","19.0405","0.0007","17.1308","0.0007","20.5597","0.0008","90","","90","","90","","6706.1","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^O,N,O)cerate(III) trihydrate","","- C24 H33 Ce N12 O15 -","- C24 H33 Ce N12 O15 -","- C192 H264 Ce8 N96 O120 -","8","1","NG2085","Aghabozorg, Hossein; Mohammad Panah, Fahimeh; Sadr-khanlou, Elahe","Tris(guanidinium) tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>)cerate(III) trihydrate","Acta Crystallographica Section E","2006","62","10","m2509","m2511","10.1107/S1600536806034428","","","0.71073","MoKα","","0.0727","0.039","","","0.0785","0.0868","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210733","10.6079","0.0002","40.5916","0.0002","14.8774","0.0002","90","","90","","90","","6406.08","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[7,16-Bis(benzyloxycarbonyl)-6,18,15,17- tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato-κ^4^N]nickel(II)","","- C38 H34 N4 Ni O4 -","- C38 H34 N4 Ni O4 -","- C304 H272 N32 Ni8 O32 -","8","1","NG2105","Boyd, Peter D.W.; Challis, J.B.; Rickard, C.E.F.","[7,16-Bis(benzyloxycarbonyl)-6,18,15,17-tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradecinato-κ^4^<i>N</i>]nickel(II)","Acta Crystallographica Section E","2006","62","10","m2732","m2734","10.1107/S1600536806038803","","","0.71073","MoKα","","0.0477","0.0373","","","0.0935","0.1037","","","","","","0.847","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210756","9.498","0.002","9.457","0.002","20.205","0.005","90","","90","","90","","1814.9","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-N-(4-nitrophenyl)acetamide","","- C8 H7 Cl N2 O3 -","- C8 H7 Cl N2 O3 -","- C64 H56 Cl8 N16 O24 -","8","1","OM2040","Yong-Hong Wen; Xue-Mei Li; Li-Li Xu; Xiao-Fang Tang; Shu-Sheng Zhang","2-Chloro-<i>N</i>-(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2006","62","10","o4427","o4428","10.1107/S1600536806036221","","","0.71073","MoKα","","0.0567","0.0421","","","0.0988","0.108","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210773","14.9271","0.0013","10.9247","0.0013","18.8582","0.0016","90","","90","","90","","3075.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(2-Bromo-5-methoxyphenyl)-6-phenyl-1,3-thiazolo[3,2-b][1,2,4]triazole","","- C17 H12 Br N3 O S -","- C17 H12 Br N3 O S -","- C136 H96 Br8 N24 O8 S8 -","8","1","SG2057","Yathirajan, H. S.; Vijaya Raj, K. K.; Narayana, B.; Sarojini, B. K.; Bolte, Michael","2-(2-Bromo-5-methoxyphenyl)-6-phenyl-1,3-thiazolo[3,2-<i>b</i>][1,2,4]triazole","Acta Crystallographica Section E","2006","62","10","o4444","o4445","10.1107/S1600536806035707","","","0.71073","MoKα","","0.0558","0.037","","","0.0812","0.0871","","","","","","0.981","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210779","14.847","0.002","9.548","0.0011","15.473","0.002","90","","90","","90","","2193.4","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)","","- C16 H36 Co N2 O10 -","- C16 H36 Co N2 O10 -","- C64 H144 Co4 N8 O40 -","4","0.5","SJ2111","Ward, Antony J.; Burger, Matija; Aquino, Cindy; Clegg, Jack K.; Turner, Peter; Masters, Anthony F.; Maschmeyer, Thomas","Bis(2,2',2''-nitrilotriethanol)cobalt(II) bis(acetate)","Acta Crystallographica Section E","2006","62","10","m2429","m2431","10.1107/S160053680603443X","","","0.71073","MoKα","","0.0352","0.0288","","","0.0791","0.0836","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2210790","9.9173","0.0008","9.2463","0.0007","35.405","0.003","90","","90","","90","","3246.6","0.5","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Phosphoric trianilide","Trianilinophosphine oxide","","- C18 H18 N3 O P -","- C18 H18 N3 O P -","- C144 H144 N24 O8 P8 -","8","1","SJ2124","Shazia Anjum; Atta-ur-Rahman; Hoong-Kun Fun","Trianilinophosphine oxide","Acta Crystallographica Section E","2006","62","10","o4569","o4571","10.1107/S1600536806037159","","","0.71073","MoKα","","0.0554","0.049","","","0.1286","0.1365","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210874","6.9803","0.0004","17.5191","0.0009","26.9377","0.0014","90","","90","","90","","3294.2","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-4-[(4-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Br N3 O -","- C18 H16 Br N3 O -","- C144 H128 Br8 N24 O8 -","8","1","BH2054","Yang, Guo-Bing; Zheng, Yun-Fa; Zhang, Chun-Niu; Yang, Ming-Hua","(<i>E</i>)-4-[(4-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o5328","o5329","10.1107/S1600536806044540","","","0.71073","MoKα","","0.0812","0.0507","","","0.106","0.1134","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210883","7.4122","0.0012","11.2752","0.0018","32.189","0.005","90","","90","","90","","2690.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-(2-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","BI2076","Qiu, Xiao-Yang; Ma, Ji-Long","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o5041","o5042","10.1107/S1600536806041456","","","0.71073","MoKα","","0.0804","0.0424","","","0.1064","0.1268","","","","","","1.021","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210891","14.4587","0.0012","14.4275","0.001","19.0072","0.0013","90","","90","","90","","3965","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C160 H184 N8 O56 -","8","1","BT2190","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Zoufalá, Petra; Lang, H.","Dimethyl 4-[4-(2-methoxy-2-oxoethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o4963","o4965","10.1107/S160053680604089X","","","0.71073","MoKα","","0.0704","0.0506","","","0.1182","0.1334","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210902","10.0451","0.0003","9.4978","0.0002","18.5293","0.0006","90","","90","","90","","1767.81","0.09","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluoro-1H-indole-2-carbohydrazide","","- C9 H8 F N3 O -","- C9 H8 F N3 O -","- C72 H64 F8 N24 O8 -","8","1","BT2203","Harrison, William T. A.; Yathirajan, H. S.; Ashalatha, B. V.; Vijaya Raj, K. K.; Narayana, B.","5-Fluoro-1<i>H</i>-indole-2-carbohydrazide","Acta Crystallographica Section E","2006","62","11","o4986","o4988","10.1107/S1600536806040943","","","0.71073","MoKα","","0.0389","0.032","","","0.0839","0.0886","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210926","7.752","0.005","21.259","0.005","23.011","0.005","90","","90","","90","","3792","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-amino-6-phenyl 4-tolylfuro[2,3-b]pyridine-2-carboxylate","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C184 H160 N16 O24 -","8","1","CI2180","Jotani, Mukesh M.; Patel, Urmila H.; Shah, Hetal C.","Ethyl 3-amino-6-phenyl-4-tolylfuro[2,3-<i>b</i>]pyridine-2-carboxylate","Acta Crystallographica Section E","2006","62","11","o4906","o4908","10.1107/S160053680604027X","","","0.71069","MoKα","","0.1106","0.0781","","","0.1526","0.1661","","","","","","1.194","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210941","14.979","0.001","13.609","0.001","25.164","0.001","90","","90","","90","","5129.7","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","","- C26 H30 Br2 Co N2 O2 -","- C26 H30 Br2 Co N2 O2 -","- C208 H240 Br16 Co8 N16 O16 -","8","1","CI2197","Qing Wang; Xiao-Yang Qiu","Bis[4-bromo-2-(cyclohexyliminomethyl)phenolato]cobalt(II)","Acta Crystallographica Section E","2006","62","11","m3000","m3001","10.1107/S1600536806043364","","","0.71073","MoKα","","0.0953","0.0522","","","0.14","0.1655","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210948","16.096","0.003","17.769","0.004","19.759","0.004","90","","90","","90","","5651","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 Co N10 S2 -","- C22 H32 Co N10 S2 -","- C176 H256 Co8 N80 S16 -","8","1","CV2130","Fa-Qian Liu; Hong-Na Chen; Juan Su; Wei Li; Rong-Xun Li","Tetrakis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)diisothiocyanatocobalt(II)","Acta Crystallographica Section E","2006","62","11","m2881","m2882","10.1107/S1600536806040554","","","0.71073","MoKα","","0.1772","0.0777","","","0.1542","0.1947","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210993","15.3791","0.0017","13.2941","0.0014","17.0078","0.0019","90","","90","","90","","3477.3","0.7","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hydroxy-diphenyl-acetic acid 1-methyl-piperidin-4-yl ester","1-Methylpiperidin-4-yl hydroxydiphenylacetate","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C160 H184 N8 O24 -","8","1","FL2060","Fu, De-Cai; Sun, Feng-Xia; Liu, Qian; Lv, Hai-Jun","1-Methylpiperidin-4-yl hydroxydiphenylacetate","Acta Crystallographica Section E","2006","62","11","o5284","o5285","10.1107/S1600536806044035","","","0.7107","MoKα","","0.0532","0.0428","","","0.1024","0.1088","","","","","","1.096","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210995","10.212","0.002","9.696","0.002","36.927","0.008","90","","90","","90","","3656.3","1.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl N3 O2 -","- C20 H16 Cl N3 O2 -","- C160 H128 Cl8 N24 O16 -","8","1","FL2062","Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming","(<i>E</i>)-<i>N</i>'-[2-(4-Chlorobenzyloxy)benzylidene]isonicotinohydrazide","Acta Crystallographica Section E","2006","62","11","o4835","o4836","10.1107/S1600536806039973","","","0.71073","MoKα","","0.102","0.0467","","","0.1131","0.1384","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211040","9.6943","0.0019","14.775","0.003","25.693","0.005","90","","90","","90","","3680.1","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(1H-imidazol-2-yl)phenolato-κ^2^N,O]zinc(II) methanol solvate","","- C19 H18 N4 O3 Zn -","- C19 H18 N4 O3 Zn -","- C152 H144 N32 O24 Zn8 -","8","1","HG2110","He, Hong-Shan","Bis[2-(1<i>H</i>-imidazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]zinc(II) methanol solvate","Acta Crystallographica Section E","2006","62","11","m3042","m3043","10.1107/S1600536806042796","","","0.71073","MoKα","","0.1775","0.0857","","","0.1591","0.2139","","","","","","1.167","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211134","15.768","0.009","12.437","0.007","15.877","0.009","90","","90","","90","","3114","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","salicylato dimethyltitanocene","Bis(η^5^-methylcyclopentadienyl)(salicylato-κ^2^O,O')titanium(IV)","","- C19 H18 O3 Ti -","- C19 H18 O3 Ti -","- C152 H144 O24 Ti8 -","8","1","NG2113","Fang Xu; Zi-Wei Gao; Ling-Xiang Gao; Jin-Ling Li","Bis(η^5^-methylcyclopentadienyl)(salicylato-κ^2^<i>O</i>,<i>O</i>')titanium(IV)","Acta Crystallographica Section E","2006","62","11","m2811","m2812","10.1107/S1600536806039675","","","0.71073","MoKα","","0.1185","0.0503","","","0.1195","0.1604","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211144","9.6139","0.0002","10.5459","0.0002","17.3756","0.0003","90","","90","","90","","1761.66","0.06","100","0.1","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Nitroisophthalic acid hydrate","","- C8 H7 N O7 -","- C8 H7 N O7 -","- C64 H56 N8 O56 -","8","1","OB2073","Muhammad I. Saleh; Weng-Thim Tham; Rohana Adnan; Eny Kusrini; Shea-Lin Ng; Hoong-Kun Fun","A second orthorhombic polymorph of 5-nitroisophthalic acid monohydrate","Acta Crystallographica Section E","2006","62","11","o4837","o4839","10.1107/S1600536806040062","","","0.71073","MoKα","","0.0527","0.0417","","","0.1077","0.1143","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211146","6.9966","0.0008","17.994","0.002","26.469","0.003","90","","90","","90","","3332.4","0.7","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-4-(4-methylbenzylideneamino)-1, 5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C152 H152 N24 O8 -","8","1","OB2075","Yang, Ming-Hua; Yang, Guo-Bing; Zheng, Yun-Fa; Zhang, Chun-Niu","(<i>E</i>)-1,5-Dimethyl-4-(4-methylbenzylideneamino)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","11","o4944","o4945","10.1107/S1600536806041080","","","0.71073","MoKα","","0.0918","0.0508","","","0.0798","0.0837","","","","","","1.081","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211153","11.193","0.003","7.731","0.002","30.815","0.008","90","","90","","90","","2666.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[N-(5-formylsalicylidene)glycinato(2-)-κ^3^O,N,O']cobalt(II) monohydrate","","- C10 H15 Co N O8 -","- C10 H15 Co N O8 -","- C80 H120 Co8 N8 O64 -","8","1","OB2084","Ying-Heng Huang; Jin-Hua Cai; Xiu-Ju Yin; Yi-Min Jiang","Triaqua[<i>N</i>-(5-formylsalicylidene)glycinato(2{-})-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']cobalt(II) monohydrate","Acta Crystallographica Section E","2006","62","11","m2922","m2924","10.1107/S1600536806041626","","","0.71073","MoKα","","0.065","0.0358","","","0.0898","0.0966","","","","","","0.873","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211155","12.6478","0.0011","12.8564","0.0011","18.2165","0.0015","90","","90","","90","","2962.1","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[[2-Chloro-5-(4-methoxyphenyl)pyridin-3-yl](hydroxy)methyl]acrylonitrile","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C128 H104 Cl8 N16 O16 -","8","1","OB2086","G. Y. S. K. Swamy; K. Ravikumar; P. Narender; V. Jayathirtha Rao","2-{[2-Chloro-5-(4-methoxyphenyl)pyridin-3-yl](hydroxy)methyl}acrylonitrile","Acta Crystallographica Section E","2006","62","11","o5063","o5064","10.1107/S160053680604181X","","","0.71073","MoKα","","0.0731","0.0535","","","0.122","0.1311","","","","","","1.117","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211158","13.496","0.003","9.5681","0.0019","25.706","0.005","90","","90","","90","","3319.4","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]- μ-acetylenedicarboxylato-κ^2^O:O']","","- C16 H12 Co N2 O6 -","- C16 H12 Co N2 O6 -","- C128 H96 Co8 N16 O48 -","8","1","OB2089","Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-acetylenedicarboxylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2006","62","11","m3152","m3154","10.1107/S1600536806044734","","","0.71073","MoKα","","0.0351","0.0261","","","0.066","0.0695","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211164","9.1284","0.0018","9.783","0.002","24.156","0.005","90","","90","","90","","2157.2","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-1H-benzimidazole","","- C13 H9 Cl N2 -","- C13 H9 Cl N2 -","- C104 H72 Cl8 N16 -","8","1","OM2059","Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Pu-Su Zhao; Hai-Lian Xiao","2-(4-Chlorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","11","o5194","o5195","10.1107/S1600536806043017","","","0.71073","MoKα","","0.0949","0.073","","","0.1412","0.1502","","","","","","1.209","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211199","7.1676","0.0001","11.1505","0.0002","34.6112","0.0005","90","","90","","90","","2766.21","0.07","100","0.1","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O2 -","- C16 H12 Cl2 O2 -","- C128 H96 Cl16 O16 -","8","1","SJ2130","Mohd Mustaqim Rosli; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; Vedavati G. Puranik; S. M. Dharmaprakash","3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","11","o4773","o4774","10.1107/S1600536806039006","","","0.71073","MoKα","","0.0674","0.049","","","0.1079","0.1158","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211206","9.707","0.0005","12.7121","0.0007","16.4203","0.0008","90","","90","","90","","2026.21","0.18","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Chlorohydroxydimethyldihydroquinazolinone","5-Chloro-3-hydroxy-2,2-dimethylquinazolin-4(1H)-one","","- C10 H11 Cl N2 O2 -","- C10 H11 Cl N2 O2 -","- C80 H88 Cl8 N16 O16 -","8","1","SJ2138","Nagarajan Vembu; Elinor C. Spencer; Jean Lee; John G. Kelly; Kevin B. Nolan; Marc Devocelle","5-Chloro-3-hydroxy-2,2-dimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one: supramolecular aggregation through a two-dimensional network of N—H···O and O—H···O interactions","Acta Crystallographica Section E","2006","62","11","o5003","o5005","10.1107/S1600536806040852","","","0.71073","MoKα","","0.0543","0.0376","","","0.0962","0.1071","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211223","9.4085","0.0003","7.4402","0.0002","26.7754","0.0007","90","","90","","90","","1874.31","0.09","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4,4'-bis(2-(2-pyridyl)vinyl)biphenyl","4,4'-Bis[2-(2-pyridyl)vinyl]biphenyl","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","0.5","WK2030","Liu, Hui-Jun; Tao, Xu-Tang; Zhao, Hua-Pin; Yu, Wen-Tao; Jiang, Min-Hua","4,4'-Bis[2-(2-pyridyl)vinyl]biphenyl","Acta Crystallographica Section E","2006","62","11","o5319","o5320","10.1107/S1600536806042085","","","0.71073","MoKα","","0.0811","0.0439","","","0.0968","0.1153","","","","","","1.043","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211248","11.2807","0.0004","13.9968","0.0005","16.7612","0.0006","90","","90","","90","","2646.49","0.16","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-quinolinium Iodide","","- C13 H16 I N -","- C13 H16 I N -","- C104 H128 I8 N8 -","8","1","YM2028","Zhong, Chong-Min; Zuo, Ya-Jie; Jin, Hua-Shu; Liu, Shuang-Quan; Wang, Tian-Chi","1-Butylquinolinium iodide","Acta Crystallographica Section E","2006","62","11","o5050","o5051","10.1107/S1600536806041225","","","0.71073","MoKα","","0.0338","0.0223","","","0.0513","0.056","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211272","6.852","0.0005","16.8891","0.0013","27.204","0.002","90","","90","","90","","3148.2","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3,4-Dihydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C144 H136 N24 O24 -","8","1","AT2165","Sun, Yu-Xi","4-(3,4-Dihydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5860","o5861","10.1107/S1600536806049658","","","0.71073","MoKα","","0.1073","0.0608","","","0.1211","0.1406","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211294","12.823","0.002","9.914","0.003","19.75","0.004","90","","90","","90","","2510.8","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[bis(salicylato-κO)copper(II)]-di-μ-3-pyridylmethanol-κ^2^N:O;κ^2^O:N]","","- C26 H24 Cu N2 O8 -","- C26 H24 Cu N2 O8 -","- C104 H96 Cu4 N8 O32 -","4","0.5","BI2093","Maroszová, Jaroslava; Moncol, Jan; Koman, Marian; Melník, Milan; Głowiak, Tadeusz","Poly[[bis(salicylato-κ<i>O</i>)copper(II)]-di-μ-3-pyridylmethanol-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>]: a redetermination at 100 K","Acta Crystallographica Section E","2006","62","12","m3385","m3387","10.1107/S1600536806047891","","","0.71069","MoKα","","0.0439","0.0392","","","0.085","0.0879","","","","","","1.108","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211296","8.4259","0.0007","10.9029","0.0009","33.263","0.003","90","","90","","90","","3055.8","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Diethylamino-3-phenylquinazolin-4(3H)-one","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","1","BI2097","Chang Xie; Hong-Xia Li","2-Diethylamino-3-phenylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","12","o5632","o5633","10.1107/S160053680604582X","","","0.71073","MoKα","","0.0616","0.0518","","","0.1291","0.1362","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211309","9.8781","0.0008","6.9451","0.0005","19.2655","0.0015","90","","90","","90","","1321.7","0.18","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Ethane-1,2-diyl)bis(2H-indazole)","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","BX2032","Rodríguez de Barbarín, Cecilia; Nájera, Blanca; Elizondo, Perla; Cerda, Patricia","2,2'-(Ethane-1,2-diyl)bis(2<i>H</i>-indazole)","Acta Crystallographica Section E","2006","62","12","o5423","o5424","10.1107/S1600536806045120","","","0.71073","MoKα","","0.0651","0.0402","","","0.0944","0.1056","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211372","12.379","0.002","12.651","0.002","20.421","0.004","90","","90","","90","","3198.1","1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-bis(2-cyano-2-thienylvinyl)thiophene","","- C18 H10 N2 S3 -","- C18 H10 N2 S3 -","- C144 H80 N16 S24 -","8","1","DN2097","Wagner, Paweł; Officer, David L.; Kubicki, Maciej","2,5-Bis(2-cyano-2-thienylvinyl)thiophene","Acta Crystallographica Section E","2006","62","12","o5931","o5932","10.1107/S1600536806050100","","","0.71073","MoKα","","0.0566","0.0406","","","0.0866","0.0947","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211397","7.4264","0.0006","8.9074","0.0006","15.8018","0.0014","90","","90","","90","","1045.29","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","trans-1,4-Diaminocyclohexane dihydrobromide","","- C6 H16 Br2 N2 -","- C6 H16 Br2 N2 -","- C24 H64 Br8 N8 -","4","0.5","FL2078","Rademeyer, Melanie","<i>trans</i>-Cyclohexane-1,4-diammonium dibromide","Acta Crystallographica Section E","2006","62","12","o5767","o5769","10.1107/S1600536806047908","","","0.71073","MoKα","","0.0832","0.049","","","0.1013","0.1133","","","","","","1.078","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211407","12.369","0.001","11.964","0.001","12.844","0.001","90","","90","","90","","1900.7","0.3","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","NDSB-195","ethyldimethylammoniopropane sulfonate","","- C7 H17 N O3 S -","- C7 H17 N O3 S -","- C56 H136 N8 O24 S8 -","8","1","GK2041","Katarzyna D. Koclega; Maksymilian Chruszcz; Wladek Minor","3-(Ethyldimethylammonio)propanesulfonate","Acta Crystallographica Section E","2006","62","12","o5757","o5759","10.1107/S1600536806048069","","","1.54179","CuKα","","0.0368","0.0339","","","0.0899","0.092","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211478","9.431","0.003","10.512","0.004","17.414","0.006","90","","90","","90","","1726.4","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol","","- C18 H24 N2 O4 -","- C18 H24 N2 O4 -","- C72 H96 N8 O16 -","4","0.5","IS2110","Xia, Hai-Tao; Liu, Yun-Fen; Yang, Shu-Ping; Wang, Da-Qi","6,6'-Dimethoxy-2,2'-(ethane-1,2-diyldiiminodimethylene)diphenol","Acta Crystallographica Section E","2006","62","12","o5864","o5865","10.1107/S1600536806050227","","","0.71073","MoKα","","0.0656","0.0413","","","0.1094","0.1363","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211492","11.142","0.002","14.929","0.003","15.68","0.003","90","","90","","90","","2608.2","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4,6-Trimethyl-8,9-dihydro-5H,7H-pyrido[3,2-e]pyrazino[1,2-b][1,2]thiazin-5-one 11,11-dioxide","","- C13 H15 N3 O3 S -","- C13 H15 N3 O3 S -","- C104 H120 N24 O24 S8 -","8","1","KP2062","Karczmarzyk, Zbigniew; Malinka, Wiesław","2,4,6-Trimethyl-8,9-dihydro-5<i>H</i>,7<i>H</i>-pyrido[3,2-<i>e</i>]pyrazino[1,2-<i>b</i>][1,2]thiazin-5-one 11,11-dioxide","Acta Crystallographica Section E","2006","62","12","o5781","o5783","10.1107/S1600536806048355","","","1.54178","CuKα","","0.0331","0.0328","","","0.0961","0.0965","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211517","13.393","0.003","8.8039","0.0018","14.622","0.003","90","","90","","90","","1724.1","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","zinc pyridazinedicarboxylate","Bis(μ-pyridazine-3,6-carboxylato-κ^4^N,O:N',O')bis[diaquazinc(II)]","","- C12 H12 N4 O12 Zn2 -","- C12 H12 N4 O12 Zn2 -","- C48 H48 N16 O48 Zn8 -","4","0.5","LH2245","Michał Gryz; Wojciech Starosta; Janusz Leciejewicz","Bis(μ-pyridazine-3,6-carboxylato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>')bis[diaquazinc(II)]","Acta Crystallographica Section E","2006","62","12","m3470","m3472","10.1107/S1600536806049130","","","0.71073","MoKα","","0.07","0.031","","","0.0884","0.1008","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211524","10.416","0.002","7.6525","0.0014","33.053","0.006","90","","90","","90","","2634.6","0.8","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(p-nitrophenyl)ferrocene","","- C16 H13 Fe N O2 -","- C16 H13 Fe N O2 -","- C128 H104 Fe8 N8 O16 -","8","1","LH2253","Xin-Hong Chang","An orthorhombic polymorph of (<i>p</i>-nitrophenyl)ferrocene","Acta Crystallographica Section E","2006","62","12","m3544","m3545","10.1107/S1600536806050185","","","0.71073","MoKα","","0.0477","0.0419","","","0.0975","0.1007","","","","","","1.176","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211545","15.7488","0.0007","25.5058","0.0009","25.5058","0.0009","90","","90","","90","","10245.3","0.7","293.15","","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-3,5-dimethylpyrazolato-κ^2^N:N')bis[(4,4'-dimethyl- 2,2'-bipyridine-κ^2^N,N')palladium(II)] bis(hexafluorophosphate) acetonitrile disolvate","","- C38 H44 F12 N10 P2 Pd2 -","- C38 H44 F12 N10 P2 Pd2 -","- C304 H352 F96 N80 P16 Pd16 -","8","1","NG2152","Hai-Ping Huang; Qiong Wu; Guang-Quan Mei","Bis(μ-3,5-dimethylpyrazolato-κ^2^<i>N</i>:<i>N</i>')bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluorophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2006","62","12","m3465","m3466","10.1107/S1600536806048926","","","0.71073","MoKα","","0.0748","0.0632","","","0.1575","0.169","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211548","7.471","0.001","13.805","0.002","26.096","0.005","90","","90","","90","","2691.5","0.7","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2,2'-Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}cobalt(II)","","- C16 H14 Co N2 O2 -","- C16 H14 Co N2 O2 -","- C128 H112 Co8 N16 O16 -","8","1","NG2157","Yuan, Wen-Bing; Wang, Hai-Yang; Du, Jin-Feng; Chen, Shang-Wen; Zhang, Qi","{2,2'-[Ethane-1,2-diylbis(nitrilomethylidene)]diphenolato}cobalt(II)","Acta Crystallographica Section E","2006","62","12","m3504","m3505","10.1107/S1600536806049932","","","0.71073","MoKα","","0.0634","0.0367","","","0.0768","0.0821","","","","","","0.97","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211564","9.2132","0.0004","23.6595","0.001","19.7075","0.001","90","","90","","90","","4295.8","0.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}- (ethanol)dioxouranium(VI)","","- C20 H24 N2 O7 U -","- C20 H24 N2 O7 U -","- C160 H192 N16 O56 U8 -","8","1","OB3026","Nuray Şenyüz; Çiĝdem Yüksektepe; Hümeyra Batı; Nezihe Çalışkan; Orhan Büyükgüngör","{6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(ethanol)dioxouranium(VI)","Acta Crystallographica Section E","2006","62","12","m3163","m3164","10.1107/S1600536806044771","","","0.71073","MoKα","","0.0761","0.0419","","","0.0906","0.0989","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211604","15.4148","0.0017","14.9772","0.0017","17.0633","0.0019","90","","90","","90","","3939.4","0.8","173","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N,N-Diethylpyrrolidinium pentachloro(tetrahydrofuran)zirconate","","- C12 H26 Cl5 N O Zr -","- C12 H26 Cl5 N O Zr -","- C96 H208 Cl40 N8 O8 Zr8 -","8","1","SG2085","Braunschweig, Holger; Kraft, Mario; Seeler, Fabian","<i>N</i>,<i>N</i>-Diethylpyrrolidinium pentachloro(tetrahydrofuran)zirconate(IV)","Acta Crystallographica Section E","2006","62","12","m3267","m3268","10.1107/S1600536806045880","","","0.71073","MoKα","","0.0395","0.034","","","0.1024","0.1082","","","","","","1.098","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211605","10.9824","0.0006","11.6668","0.0006","22.4586","0.0012","90","","90","","90","","2877.6","0.3","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","thorium chromate monohydrate","Thorium chromate monohydrate","","- Cr2 O9 Th -","- Cr2 O9 Th -","- Cr32 O144 Th16 -","16","2","SG2089","Tyler A. Sullens; Thomas E. Albrecht-Schmitt","Thorium(IV) chromate(VI) monohydrate","Acta Crystallographica Section E","2006","62","12","i258","i260","10.1107/S1600536806047416","","","0.71073","MoKα","","0.0249","0.0228","","","0.0532","0.0539","","","","","","1.114","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211611","8.797","0.002","16.88","0.002","28.145","0.004","90","","90","","90","","4179.3","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N,N'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate","","- C22 H20 N4 O4 S -","- C22 H20 N4 O4 S -","- C176 H160 N32 O32 S8 -","8","1","SG2104","Pereira Silva, P. S.; Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.","<i>N</i>,<i>N</i>'-Diphenylguanidinium 8-hydroxyquinoline-5-sulfonate","Acta Crystallographica Section E","2006","62","12","o5913","o5915","10.1107/S160053680605077X","","","0.71073","MoKα","","0.1016","0.0466","","","0.1224","0.1477","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211631","14.7417","0.0011","6.1208","0.0004","32.941","0.003","90","","90","","90","","2972.3","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","1","SJ2169","Lu, Zhi-Ke; Duan, Xue-Min; Huang, Peng-Mian","(<i>E</i>)-3-(3-Hydroxy-4-methoxyphenyl)-1-(2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","12","o5751","o5752","10.1107/S1600536806048859","","","0.7107","MoKα","","0.0656","0.0563","","","0.1355","0.1441","","","","","","1.16","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211664","7.0477","0.0008","15.1868","0.0017","24.426","0.003","90","","90","","90","","2614.4","0.5","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-(4-nitrobenzylideneamino)phenyl)acetamide","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C120 H104 N24 O24 -","8","1","WN2091","Wu, Yun; Zhao, Bo; Li, Baolong","<i>N</i>-[4-(4-Nitrobenzylideneamino)phenyl]acetamide","Acta Crystallographica Section E","2006","62","12","o5677","o5678","10.1107/S1600536806048173","","","0.7107","MoKα","","0.0699","0.0634","","","0.1385","0.1421","","","","","","1.152","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211675","9.8517","0.0017","11.3516","0.0018","33.451","0.008","90","","90","","90","","3740.9","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-[(2-hydroxynaphthalen-1-yl)(phenyl)methyl]benzamide","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","XU2150","Bazgir, Ayoob; Amani, Vahid; Khavasi, Hamid Reza","<i>N</i>-[(2-Hydroxynaphthalen-1-yl)(phenyl)methyl]benzamide","Acta Crystallographica Section E","2006","62","12","o5523","o5524","10.1107/S1600536806046526","","","0.71073","MoKα","","0.11","0.08","","","0.137","0.15","","","","","","1.182","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211681","13.5903","0.0013","8.6378","0.0009","30.169","0.003","90","","90","","90","","3541.5","0.6","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-1-(naphthalen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","1","XU2159","Lu, Zhi-Ke; Huang, Peng-Mian; Yu, Jiang-Fan","(<i>E</i>)-1-(2-Naphthyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","12","o5753","o5754","10.1107/S160053680604815X","","","0.7107","MoKα","","0.073","0.066","","","0.142","0.146","","","","","","1.225","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211715","12.778","0.003","12.655","0.003","15.926","0.004","90","","90","","90","","2575.3","1.1","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Bis(hydroxymethyl)-6-(isopropyl)perhydro-2,3,4a,6,7a- pentaazacyclopenta[cd]indene-1,4-dione","","- C11 H19 N5 O4 -","- C11 H19 N5 O4 -","- C88 H152 N40 O32 -","8","1","AT2193","Hai-Ling Xi; Meng Gao; Li-Ping Cao; Yi-Tao Li","2,3-Bis(hydroxymethyl)-6-isopropylperhydro-2,3,4a,6,7a-pentaazacyclopenta[<i>cd</i>]indene-1,4-dione","Acta Crystallographica Section E","2007","63","1","o400","o401","10.1107/S1600536806054882","","","0.71073","MoKα","","0.1318","0.0575","","","0.1111","0.1269","","","","","","0.827","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211795","14.3048","0.0007","10.1746","0.0005","29.7259","0.0015","90","","90","","90","","4326.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(acetylacetonato-κ^2^O,O')(4-Hydroxybenzaldehyde thiosemicarbazone-κS)zinc(II)","","- C18 H23 N3 O5 S Zn -","- C18 H23 N3 O5 S Zn -","- C144 H184 N24 O40 S8 Zn8 -","8","1","DN2105","Yang, Xue-Mei","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-hydroxybenzaldehyde thiosemicarbazone-κ<i>S</i>)zinc(II)","Acta Crystallographica Section E","2007","63","1","m284","m285","10.1107/S1600536806054183","","","0.71073","MoKα","","0.0714","0.0363","","","0.0797","0.095","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211829","7.0488","0.0015","12.15","0.003","28.649","0.006","90","","90","","90","","2453.6","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","HB2222","Xi-Shi Tai; Fan-Yuan Kong; Jie Yin","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2007","63","1","o79","o80","10.1107/S1600536806051919","","","0.71073","MoKα","","0.1173","0.0414","","","0.084","0.1083","","","","","","0.96","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211836","21.3111","0.001","9.3462","0.0005","22.3385","0.0016","90","","90","","90","","4449.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,5-Bis(4-bromophenyl)-3-(3-nitrophenyl)pentane-1,5-dione","","- C23 H17 Br2 N O4 -","- C23 H17 Br2 N O4 -","- C184 H136 Br16 N8 O32 -","8","1","HB2231","Yathirajan, H. S.; Malte, K.; Narayana, B.; Sreevidya, T.V.; Bolte, Michael","1,5-Bis(4-bromophenyl)-3-(3-nitrophenyl)pentane-1,5-dione","Acta Crystallographica Section E","2007","63","1","o228","o229","10.1107/S1600536806052585","","","0.71073","MoKα","","0.0897","0.0674","","","0.1203","0.1294","","","","","","1.175","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211840","7.1855","0.0005","24.4898","0.0019","37.352","0.003","90","","90","","90","","6572.9","0.9","193","","193","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3-Hydroxyanilino)-1,3-diphenylprop-2-en-1-one","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C336 H272 N16 O32 -","16","2","HG2125","Yao-Cheng Shi; Su-Hua Zhang","3-(3-Hydroxyanilino)-1,3-diphenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","1","o138","o140","10.1107/S1600536806051798","","","0.7107","MoKα","","0.1064","0.0865","","","0.156","0.1631","","","","","","1.297","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211842","13.756","0.003","8.069","0.0016","19.835","0.004","90","","90","","90","","2201.6","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[1-(3-Nitrophenyl)ethylidene]thiosemicarbazide","","- C9 H10 N4 O2 S -","- C9 H10 N4 O2 S -","- C72 H80 N32 O16 S8 -","8","1","HG2138","Jian-Gang Wang; Fang-Fang Jian; Yong-Qi Qin; Yan Wang","1-[1-(3-Nitrophenyl)ethylidene]thiosemicarbazide","Acta Crystallographica Section E","2007","63","1","o10","o11","10.1107/S1600536806049440","","","0.71073","MoKα","","0.1646","0.0794","","","0.2075","0.2567","","","","","","0.978","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211845","15.366","0.003","9.2799","0.0019","22.879","0.005","90","","90","","90","","3262.4","1.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethanolbis[4-(2-furoyl)-3-methyl-1-phenyl-1H-pyrazol-5-onato]zinc(II)","","- C34 H34 N4 O8 Zn -","- C34 H34 N4 O8 Zn -","- C136 H136 N16 O32 Zn4 -","4","0.5","HG2149","Zhang, Heng-Qiang; Li, Jin-Zhou; Gao, Shan; Zhang, Yong","Diethanolbis[4-(2-furoyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-onato]zinc(II)","Acta Crystallographica Section E","2007","63","1","m165","m166","10.1107/S1600536806052718","","","0.71073","MoKα","","0.0422","0.0309","","","0.0885","0.0951","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211849","11.213","0.002","8.1919","0.0016","33.739","0.006","90","","90","","90","","3099.1","1","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-3-(6-methoxynaphthalen-2-yl)-1-phenylprop-2-en-1-one","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","1","HG2153","Chun-Yang Zheng; Ling Fan; Dun-Jia Wang","3-Hydroxy-3-(6-methoxynaphthalen-2-yl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2007","63","1","o396","o397","10.1107/S1600536806053797","","","0.71073","MoKα","","0.1006","0.0675","","","0.1251","0.1383","","","","","","1.157","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211872","9.4345","0.0013","8.607","0.003","28.973","0.005","90","","90","","90","","2352.7","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tryptaminium dihydrogenphospate","","- C10 H15 N2 O4 P -","- C10 H15 N2 O4 P -","- C80 H120 N16 O32 P8 -","8","1","KP2063","T. Kolev; M. Spiteller; T. van Almsick; H. Mayer-Figge; W.S. Sheldrick","2-(Indol-3-yl)ethylammonium dihydrogenphosphate","Acta Crystallographica Section E","2007","63","1","o179","o181","10.1107/S1600536806051749","","","0.71073","MoKα","","0.0541","0.0388","","","0.097","0.1035","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211889","15.5571","0.0012","10.2136","0.0007","15.8883","0.0011","90","","90","","90","","2524.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Phenyl-1-(2-thienyl)penta-2,4-dien-1-one","","- C15 H12 O S -","- C15 H12 O S -","- C120 H96 O8 S8 -","8","1","LH2263","Yathirajan, H. S.; Bindya, S.; Mithun, A.; Narayana, B.; Bolte, Michael","5-Phenyl-1-(2-thienyl)penta-2,4-dien-1-one","Acta Crystallographica Section E","2007","63","1","o61","o62","10.1107/S1600536806050860","","","0.71073","MoKα","","0.0429","0.0376","","","0.1","0.1039","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211918","7.5538","0.0015","13.511","0.003","28.994","0.006","90","","90","","90","","2959.1","1.1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethoxy-4-formylphenyl benzenesulfonate","","- C15 H14 O5 S -","- C15 H14 O5 S -","- C120 H112 O40 S8 -","8","1","OM2075","Ren, Xiao-Liang; Wang, Yan; Qi, Ai-Di","2-Ethoxy-4-formylphenyl benzenesulfonate","Acta Crystallographica Section E","2007","63","1","o219","o220","10.1107/S1600536806052184","","","0.71073","MoKα","","0.0883","0.0429","","","0.0961","0.118","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211923","14.915","0.002","8.4187","0.0014","25.277","0.004","90","","90","","90","","3173.9","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzyl-4,5-dimethoxy-2-nitrobenzamide","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","1","RZ2095","Ghulam Qadeer; Nasim Hasan Rama; Wai-Yeung Wong","<i>N</i>-Benzyl-4,5-dimethoxy-2-nitrobenzamide","Acta Crystallographica Section E","2007","63","1","o335","o336","10.1107/S1600536806053463","","","0.71073","MoKα","","0.1362","0.0664","","","0.1526","0.1829","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211926","11.41","0.005","7.846","0.003","23.167","0.009","90","","90","","90","","2074","1.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-pyridyl)isoindoline-1,3-dione","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C104 H64 N16 O16 -","8","1","SA2027","Liang, Zu-Pei; Li, Jian","2-(2-Pyridyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2007","63","1","o405","o406","10.1107/S1600536806054766","","","0.71073","MoKα","","0.0576","0.0341","","","0.0825","0.0957","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211945","16.131","0.003","8.2721","0.0018","17.602","0.004","90","","90","","90","","2348.8","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzhydrylformamide","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","SJ2185","Hua, Chao; Li, Xin-Gang; Xu, Shi-Min","<i>N</i>-Benzhydrylformamide","Acta Crystallographica Section E","2007","63","1","o144","o145","10.1107/S1600536806051592","","","0.71073","MoKα","","0.1045","0.0444","","","0.107","0.1476","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211987","8.563","0.0017","9.91","0.002","28.694","0.006","90","","90","","90","","2435","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2,4-Dichlorophenyl)-1H-benzimidazole","","- C13 H8 Cl2 N2 -","- C13 H8 Cl2 N2 -","- C104 H64 Cl16 N16 -","8","1","YM2021","Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Tong-Ling Liang; Pu-Su Zhao","2-(2,4-Dichlorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","1","o321","o322","10.1107/S1600536806053384","","","0.71073","MoKα","","0.1346","0.0501","","","0.1243","0.1563","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211989","9.849","0.002","17.665","0.004","18.044","0.004","90","","90","","90","","3139.3","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diisothiocyanatobis(1-vinyl-1<i>H</i>-imidazole-κN^3^)copper(II)","","- C12 H12 Cu N6 S2 -","- C12 H12 Cu N6 S2 -","- C96 H96 Cu8 N48 S16 -","8","1","AC2053","Wei-Hua Li; Hong-Na Chen; Guo-Hua Li; Fa-Qian Liu","Diisothiocyanatobis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)","Acta Crystallographica Section E","2007","63","2","m519","m520","10.1107/S1600536807001274","","","0.71073","MoKα","","0.1002","0.0629","","","0.1529","0.1791","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212023","11.199","0.003","18.962","0.002","26.932","0.003","90","","90","","90","","5719.2","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-(3,5-Dibromo-2-oxidobenzylamino)-3-phenylpropionato-κ^3^O,N,O'](1,10- phenanthroline-κ^2^N,N')manganese(II) dihydrate","","- C28 H25 Br2 Mn N3 O5 -","- C28 H25 Br2 Mn N3 O5 -","- C224 H200 Br16 Mn8 N24 O40 -","8","1","BI2119","Xia, Jin Hong; Feng, Xiao-Zhen; Jin, Li-Xia; Zhang, Shu-Hua; Zheng, Liu","[2-(3,5-Dibromo-2-oxidobenzylamino)-3-phenylpropionato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) dihydrate","Acta Crystallographica Section E","2007","63","2","m353","m355","10.1107/S1600536806055619","","","0.71073","MoKα","","0.1455","0.0625","","","0.156","0.2119","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212088","14.5873","0.0015","16.8272","0.0017","17.574","0.0018","90","","90","","90","","4313.8","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3'-diphenylbi-1H-indene-1,1'-dione","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","CI2255","Xu Li; Jing-Jun Liu; Min Zhao; Yong-Ming Wang; Chun-Feng Xia","3,3'-Diphenylbi-1<i>H</i>-indene-1,1'-dione","Acta Crystallographica Section E","2007","63","2","o436","o437","10.1107/S160053680605495X","","","0.71073","MoKα","","0.0583","0.0367","","","0.0857","0.0987","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212102","15.576","0.006","9.611","0.004","16.139","0.006","90","","90","","90","","2416","1.6","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3'-Dibenzyl-3,3'-dihydroxy-[2,2'-bi-1H-indene]-1,1'-dione","","- C32 H24 O4 -","- C32 H24 O4 -","- C128 H96 O16 -","4","0.5","CI2275","Hong-Min Zhao; Jing-Jun Liu; Jian Zhang; Shu-Ying Zhang; Xu Li","3,3'-Dibenzyl-3,3'-dihydroxy-[2,2'-bi-1<i>H</i>-indene]-1,1'-dione","Acta Crystallographica Section E","2007","63","2","o750","o751","10.1107/S1600536807001535","","","0.71073","MoKα","","0.0846","0.0426","","","0.1","0.1209","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212117","7.818","0.002","15.019","0.004","28.156","0.007","90","","90","","90","","3306","1.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Triaqua[2-(2-pyridylmethylene)aminoethanesulfonato-κ^3^N,N',O]nickel(II) perchlorate monohydrate","","- C8 H17 Cl N2 Ni O11 S -","- C8 H17 Cl N2 Ni O11 S -","- C64 H136 Cl8 N16 Ni8 O88 S8 -","8","1","CV2165","Jia-Ming Li; Yi-Min Jiang; Chao-Zhu Li; Shu-Hua Zhang","Triaqua[2-(2-pyridylmethyleneamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]nickel(II) perchlorate monohydrate","Acta Crystallographica Section E","2007","63","2","m447","m449","10.1107/S1600536806055929","","","0.71073","MoKα","","0.0571","0.0441","","","0.1042","0.1095","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212138","15.3237","0.0006","12.0171","0.0005","20.0773","0.0008","90","","90","","90","","3697.2","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N'-[(1E)-(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-2-hydroxybenzohydrazide","","- C20 H15 Cl N2 O3 -","- C20 H15 Cl N2 O3 -","- C160 H120 Cl8 N16 O24 -","8","1","DN2109","Jian-Guo Chang; Ying Cheng; Xi-Tao He","<i>N</i>'-[(1<i>E</i>)-(5-Chloro-2-hydroxyphenyl)(phenyl)methylene]-2-hydroxybenzohydrazide","Acta Crystallographica Section E","2007","63","2","o474","o475","10.1107/S1600536806055115","","","0.71073","MoKα","","0.0647","0.0395","","","0.0967","0.1152","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212188","11.32","0.002","7.776","0.0016","18.802","0.004","90","","90","","90","","1655","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Nitrobenzamidoxime","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C56 H56 N24 O24 -","8","1","HB2250","Xing, Zhi-Tao; Ding, Wei-Lin; Wang, Hai-Bo; Wang, Pin-Liang","4-Nitrobenzamidoxime","Acta Crystallographica Section E","2007","63","2","o489","o490","10.1107/S1600536806056066","","","0.71073","MoKα","","0.1701","0.0733","","","0.1649","0.2003","","","","","","0.977","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212200","7.488","0.0008","12.1608","0.0011","30.347","0.002","90","","90","","90","","2763.4","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-3-(2-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","HB2264","Ma, Ji-Long","(<i>E</i>)-3-(2-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o806","o807","10.1107/S1600536807001420","","","0.71073","MoKα","","0.1895","0.0782","","","0.1632","0.2161","","","","","","0.996","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212270","11.942","0.0009","8.0583","0.0006","21.0592","0.0016","90","","90","","90","","2026.6","0.3","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-diiodonaphthalene","2,3-Diiodonaphthalene","","- C10 H6 I2 -","- C10 H6 I2 -","- C80 H48 I16 -","8","1","KP2074","Novak, Igor","2,3-Diiodonaphthalene","Acta Crystallographica Section E","2007","63","2","o440","o441","10.1107/S1600536806054973","","","0.71073","MoKα","","0.0751","0.0603","","","0.1383","0.1466","","","","","","1.125","","","","has coordinates,has Fobs","290481","2024-03-13","07:31:55",""
"2212281","8.729","0.002","9.514","0.002","25.796","0.005","90","","90","","90","","2142.3","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-benzoylthymine","3-benzoyl-5-methylpyrimidine-2,4(1H,3H)-dione","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C96 H80 N16 O24 -","8","1","LH2278","Parvez, Masood; Phillips, Sandra E.; Sutherland, Todd C.","3-Benzoylthymine","Acta Crystallographica Section E","2007","63","2","o733","o734","10.1107/S1600536807001092","","","0.71073","MoKα","","0.0739","0.0485","","","0.1125","0.1228","","","","","","1.143","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212282","14.5702","0.0005","8.8146","0.0004","20.6699","0.0007","90","","90","","90","","2654.65","0.18","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2E)-1-(2,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","- C15 H10 Cl2 O2 -","- C15 H10 Cl2 O2 -","- C120 H80 Cl16 O16 -","8","1","LH2280","Yathirajan, H. S.; Mayekar, A. N.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o426","o427","10.1107/S1600536806055024","","","0.71073","MoKα","","0.0347","0.0319","","","0.082","0.0836","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212283","7.1477","0.0003","16.9604","0.0011","24.2071","0.0013","90","","90","","90","","2934.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2E)-1-(2,4-Dichlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O3 -","- C16 H12 Cl2 O3 -","- C128 H96 Cl16 O24 -","8","1","LH2281","Yathirajan, H. S.; Mayekar, A. N.; Narayana, B.; Sarojini; Bolte, Michael","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","2","o428","o429","10.1107/S1600536806055036","","","0.71073","MoKα","","0.0353","0.0293","","","0.0784","0.0807","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212309","13.068","0.006","11.294","0.005","20.158","0.009","90","","90","","90","","2975","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 S3 Sn -","- C10 H13 N3 S3 Sn -","- C80 H104 N24 S24 Sn8 -","8","1","NG2196","Junshan Sun; Rufen Zhang; Daqi Wang","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-[5-(2-thienylmethyleneamino)-1,3,4-thiadiazole-2-thiolato-κ^2^<i>N</i>^4^:<i>S</i>^2^]]","Acta Crystallographica Section E","2007","63","2","m418","m419","10.1107/S1600536807000128","","","0.71073","MoKα","","0.0669","0.0353","","","0.0934","0.1224","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212413","9.74","0.002","9.173","0.002","35.354","0.009","90","","90","","90","","3158.7","1.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(2-phenylethyl)thiourea","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C136 H160 N16 S8 -","8","1","WW2076","Sadiq-ur-Rehman; Ali, Saqib; Parvez, Masood","<i>N</i>,<i>N</i>'-Bis(2-phenylethyl)thiourea","Acta Crystallographica Section E","2007","63","2","o640","o641","10.1107/S1600536807000323","","","0.71073","MoKα","","0.078","0.042","","","0.085","0.1","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212414","8.6344","0.0003","17.7484","0.0006","20.5928","0.0007","90","","90","","90","","3155.78","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-2-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)zinc(II)]","","- C26 H30 N4 O12 P2 Zn2 -","- C26 H30 N4 O12 P2 Zn2 -","- C104 H120 N16 O48 P8 Zn8 -","4","0.5","WW2077","Shao-Ming Ying; Xin-Fa Li; Wen-Tong Chen; Dong-Sheng Liu; Jiu-Hui Liu","Bis(μ-2-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)zinc(II)]","Acta Crystallographica Section E","2007","63","2","m555","m557","10.1107/S1600536807002206","","","0.71073","MoKα","","0.0398","0.0257","","","0.0618","0.0634","","","","","","0.854","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212437","14.761","0.005","5.794","0.002","31.206","0.009","90","","90","","90","","2668.9","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Benzotriazol-1-yl)-1-m-tolylpropan-1-one","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","1","AT2219","Wu-Lan Zeng; Sai Bi; Jun Wan","3-(Benzotriazol-1-yl)-1-<i>m</i>-tolylpropan-1-one","Acta Crystallographica Section E","2007","63","3","o1084","o1085","10.1107/S1600536807004503","","","0.71073","MoKα","","0.1207","0.0662","","","0.1268","0.1503","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212439","9.3969","0.0017","9.7876","0.0018","23.982","0.004","90","","90","","90","","2205.7","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-1H-benzimidazole","","- C13 H9 Br N2 -","- C13 H9 Br N2 -","- C104 H72 Br8 N16 -","8","1","AT2221","Rashid, Naghmana; Tahir, Muhammad K.; Yusof, Nurdiyana M.; Yamin, Bohari M.","2-(4-Bromophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","3","o1260","o1261","10.1107/S1600536807005661","","","0.71073","MoKα","","0.046","0.032","","","0.0776","0.083","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212451","7.0421","0.0002","14.3771","0.0003","14.7134","0.0004","90","","90","","90","","1489.66","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-Hydroxyisonicotinamidium chloride","4-(Hydroxyaminocarbonyl)pyridinium chloride","","- C6 H7 Cl N2 O2 -","- C6 H7 Cl N2 O2 -","- C48 H56 Cl8 N16 O16 -","8","1","BH2082","Golenya, Irina A.; Haukka, Matti; Fritsky, Igor O.; Gumienna-Kontecka, Elźbieta","4-(Hydroxyaminocarbonyl)pyridinium chloride","Acta Crystallographica Section E","2007","63","3","o1515","o1517","10.1107/S1600536807008604","","","0.71073","MoKα","","0.0401","0.0304","","","0.0748","0.0795","","","","","","1.112","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212502","12.062","0.001","10.811","0.001","17.887","0.002","90","","90","","90","","2332.5","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-methoxy-6-(cyclopentyliminomethyl)phenolato]nickel(II)","","- C26 H32 N2 Ni O4 -","- C26 H32 N2 Ni O4 -","- C104 H128 N8 Ni4 O16 -","4","0.5","CF2085","Xiao-Fan Zhao","Bis[6-(cyclopentyliminomethyl)-2-methoxyphenolato]nickel(II)","Acta Crystallographica Section E","2007","63","3","m704","m705","10.1107/S160053680700596X","","","0.71073","MoKα","","0.0407","0.0281","","","0.0679","0.0754","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212524","11.0909","0.0001","8.1044","0.0001","32.0936","0.0004","90","","90","","90","","2884.74","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Benzyl-5-phenyl-1H-pyrazole-3-carboxamide","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","1","CV2194","Yan-Qing Ge; Yong Xia; Fang Wei; Wen-Liang Dong; Bao-Xiang Zhao","<i>N</i>-Benzyl-5-phenyl-1<i>H</i>-pyrazole-3-carboxamide","Acta Crystallographica Section E","2007","63","3","o1186","o1187","10.1107/S1600536807004965","","","0.71073","MoKα","","0.065","0.0419","","","0.1192","0.1429","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212542","8.942","0.007","10.075","0.008","10.339","0.008","90","","90","","90","","931.4","1.3","293","2","293","2","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","iron(III) arsenate dihydrate","Scorodite","- As Fe H4 O6 -","- As Fe H4 O6 -","- As8 Fe8 H32 O48 -","8","1","FI2026","Yan Xu; Guang-Peng Zhou; Xue-Fang Zheng","Redetermination of iron(III) arsenate dihydrate","Acta Crystallographica Section E","2007","63","3","i67","i69","10.1107/S1600536807005302","","","0.71073","MoKα","","0.0296","0.0244","","","0.0572","0.0593","","","","","","1.116","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2212554","20.331","0.003","10.919","0.0018","21.327","0.004","90","","90","","90","","4734.5","1.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5-dihydroxy-2-isobutyryl-4,6,6-tris(3-methyl-but-2-enyl)cyclohexa-2,4- dienone","","- C25 H36 O4 -","- C25 H36 O4 -","- C200 H288 O32 -","8","1","GG3075","Archer, Roland Peter; Tyrrell, Elizabeth; Singh, Kuldip","Colupulone","Acta Crystallographica Section E","2007","63","3","o1511","o1512","10.1107/S1600536807008860","","","0.71073","MoKα","","0.0745","0.0549","","","0.1215","0.1306","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212562","7.8904","0.0013","16.046","0.003","26.101","0.004","90","","90","","90","","3304.6","1","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-[4-(4-Fluorophenyl)-5-methyl-6-isoproylpyrimidin-2-yl]-N- methylmethanesulfonamide","","- C16 H20 F N3 O2 S -","- C16 H20 F N3 O2 S -","- C128 H160 F8 N24 O16 S8 -","8","1","HB2277","Xiao-Li Zhou; Jiang-Sheng Li; Wei Wang; Ying-Ying Zhang; Xiao-Peng Fan","<i>N</i>-[4-(4-Fluorophenyl)-5-methyl-6-isopropylpyrimidin-2-yl]-<i>N</i>-methylmethanesulfonamide","Acta Crystallographica Section E","2007","63","3","o1293","o1294","10.1107/S1600536807003650","","","0.71073","MoKα","","0.0738","0.0411","","","0.1106","0.1318","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212605","14.264","0.003","6.1442","0.0012","21.134","0.005","90","","90","","90","","1852.2","0.7","294","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-acetyl-1-naphtholato-κ^2^O,O')copper(II)","","- C24 H18 Cu O4 -","- C24 H18 Cu O4 -","- C96 H72 Cu4 O16 -","4","0.5","HK2206","Rayati, Saeed; Yaftian, Mohammad Reza; Khavasi, Hamid Reza","Bis(2-acetyl-1-naphtholato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2007","63","3","m898","m899","10.1107/S1600536807008161","","","0.71073","MoKα","","","0.0788","","","","0.2181","","","","","","1.101","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2212629","12.584","0.002","11.475","0.002","12.914","0.003","90","","90","","90","","1864.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(3R,8S)-[4,7-Diazoniadecane-3,8-diylbis(methyleneoxy)]disulfonate dihydrate","","- C10 H28 N2 O10 S2 -","- C10 H28 N2 O10 S2 -","- C40 H112 N8 O40 S8 -","4","0.5","LH2296","Bai, Guo-Yi; Zhang, Chen-Fang; Simpson, Jim; Chen, Yong; Peng, Hong-Wei","(2<i>R</i>,2'<i>S</i>)-2,2'-(Ethane-1,2-diyldiiminio)bis(butane-2,1-diyl) disulfate dihydrate","Acta Crystallographica Section E","2007","63","3","o1095","o1096","10.1107/S1600536807003480","","","0.71073","MoKα","","0.0521","0.0359","","","0.0919","0.1021","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212654","13.6125","0.0017","7.5417","0.0009","23.135","0.003","90","","90","","90","","2375.1","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(2,4-dioxopentan-3-ylidene-κO)-1-(4-methoxyphenyl)hydrazinato- κN^1^]copper(II)","","- C24 H26 Cu N4 O6 -","- C24 H26 Cu N4 O6 -","- C96 H104 Cu4 N16 O24 -","4","0.5","OM2076","Mac-Leod-Carey, Desmond A.; Bustos, Carlos; Schott, Eduardo; Alvarez-Thon, Luis; Fuentealba, Mauricio","Bis[2-(2,4-dioxopentan-3-ylidene-κ<i>O</i>)-1-(4-methoxyphenyl)hydrazinato-κ<i>N</i>^1^]copper(II)","Acta Crystallographica Section E","2007","63","3","m670","m672","10.1107/S1600536806053396","","","0.71073","MoKα","","0.0646","0.0447","","","0.1115","0.1218","","","","","","1.085","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212687","10.8879","0.0004","11.8128","0.0004","23.9654","0.0014","90","","90","","90","","3082.3","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Methoxyphenyl)diphenylphosphine","","- C19 H17 O P -","- C19 H17 O P -","- C152 H136 O8 P8 -","8","1","SG2134","Flower, Kevin R.; Miles, Philip J.; Pritchard, Robin G.","(4-Methoxyphenyl)diphenylphosphine","Acta Crystallographica Section E","2007","63","3","o1339","o1340","10.1107/S1600536807007271","","","0.71073","MoKα","","0.0597","0.0418","","","0.0937","0.104","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212690","11.0189","0.0019","4.8781","0.0009","21.677","0.004","90","","90","","90","","1165.2","0.4","100","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methylpropionohydrazide","","- C4 H10 N2 O -","- C4 H10 N2 O -","- C32 H80 N16 O8 -","8","1","SG2138","Sharon E. Engel; Gregory M. Ferrence","2-Methylpropionohydrazide","Acta Crystallographica Section E","2007","63","3","o1475","o1477","10.1107/S1600536807008896","","","0.71073","MoKα","","","0.0733","","","","0.1906","","","","","","1.118","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212733","8.574","0.002","9.83","0.003","24.68","0.007","90","","90","","90","","2080.1","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Fluorophenyl)-1H-benzimidazole","","- C13 H9 F N2 -","- C13 H9 F N2 -","- C104 H72 F8 N16 -","8","1","WW2081","Rashid, Naghmana; Tahir, Muhammad K.; Kanwal, Shahnaz; Yusof, Nurdiyana M.; Yamin, Bohari M.","2-(4-Fluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","3","o1402","o1403","10.1107/S160053680700774X","","","0.71073","MoKα","","0.075","0.061","","","0.114","0.119","","","","","","1.28","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212743","7.2047","0.0013","26.101","0.004","12.141","0.002","90","","90","","90","","2283.1","0.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetraaquabis[4-(dimethylamino)benzoato-κO]manganese(II) dihydrate","","- C18 H32 Mn N2 O10 -","- C18 H32 Mn N2 O10 -","- C72 H128 Mn4 N8 O40 -","4","0.5","XU2210","Hökelek, Tuncer; Necefoğlu, Hacali","Tetraaquabis[4-(dimethylamino)benzoato-κ<i>O</i>]manganese(II) dihydrate","Acta Crystallographica Section E","2007","63","3","m821","m823","10.1107/S1600536807007799","","","1.54184","CuKα","","0.1065","0.0568","","","0.1526","0.1763","","","","","","1.094","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212802","8.7405","0.0006","21.3242","0.0015","22.2434","0.0016","90","","90","","90","","4145.8","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Rizatriptan benzoate","N,N-dimethyl-3-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanaminium benzoate","","- C22 H25 N5 O2 -","- C22 H25 N5 O2 -","- C176 H200 N40 O16 -","8","1","BT2302","Krishnan Ravikumar; Balasubramanian Sridhar; Harihara Krishnan","Rizatriptan benzoate, a drug for the treatment of migraine headache","Acta Crystallographica Section E","2007","63","4","o1958","o1960","10.1107/S1600536807013323","","","0.71073","MoKα","","0.0624","0.0468","","","0.1165","0.128","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212804","10.792","0.002","10.6383","0.0019","12.518","0.002","90","","90","","90","","1437.2","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methanol","","- C5 H9 O5 P -","- C5 H9 O5 P -","- C40 H72 O40 P8 -","8","1","BX2068","Guo, Ming-Lin; Zang, Hong-Jun","(1-Oxo-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-yl)methanol","Acta Crystallographica Section E","2007","63","4","o1967","o1968","10.1107/S1600536807012986","","","0.71073","MoKα","","0.0453","0.0329","","","0.0819","0.0889","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212817","10.7076","0.001","10.044","0.001","23.949","0.002","90","","90","","90","","2575.6","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(3,5-Dimethylphenyl)-2,2-dimethylpropanamide","","- C13 H19 N O -","- C13 H19 N O -","- C104 H152 N8 O8 -","8","1","CI2305","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","<i>N</i>-(3,5-Dimethylphenyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2007","63","4","o1945","o1946","10.1107/S1600536807012810","","","0.71073","MoKα","","0.2541","0.053","","","0.1244","0.1664","","","","","","0.933","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212851","8.9608","0.001","12.4784","0.0017","15.012","0.002","90","","90","","90","","1678.6","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methylphenyl)acetamide","","- C9 H11 N O -","- C9 H11 N O -","- C72 H88 N8 O8 -","8","1","DN2139","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","<i>N</i>-(2-Methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","4","o1977","o1978","10.1107/S1600536807012998","","","0.71073","MoKα","","0.1365","0.0697","","","0.1411","0.177","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212880","14.6743","0.0004","15.3957","0.0004","24.0968","0.0007","90","","90","","90","","5444","0.3","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{2,2'-[1,1'-(4-Azaheptane-1,7- diyldinitrilo)diethylidyne]diphenolato}(pyridine)cobalt(III) hexafluorophosphate","","- C27 H32 Co F6 N4 O2 P -","- C27 H32 Co F6 N4 O2 P -","- C216 H256 Co8 F48 N32 O16 P8 -","8","1","GW2004","Soraia Meghdadi; Daran, Jean-Claude; Amirnasr, Mehdi; Morshedi, Mahbod","{2,2'-[1,1'-(4-Azaheptane-1,7-diyldinitrilo)diethylidyne]diphenolato}(pyridine)cobalt(III) hexafluorophosphate","Acta Crystallographica Section E","2007","63","4","m982","m984","10.1107/S1600536807009464","","","0.71073","MoKα","","0.0899","0.0414","","","0.1019","0.1314","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212897","12.693","0.002","10.6205","0.0019","21.437","0.004","90","","90","","90","","2889.8","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine","","- C11 H18 Cl2 N4 -","- C11 H18 Cl2 N4 -","- C88 H144 Cl16 N32 -","8","1","HB2321","Xu, Yan-Jie; Deng, Yi; Wen, Fei; Zhang, Yan","4,6-Dichloro-<i>N</i>-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine","Acta Crystallographica Section E","2007","63","4","o2029","o2030","10.1107/S1600536807012421","","","0.71073","MoKα","","0.0803","0.0438","","","0.1031","0.126","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212909","11.2597","0.0013","18.703","0.002","19.849","0.002","90","","90","","90","","4180","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(dL-Methioninato-κ^2^N,O)(2,2',2''-triaminotriethylamine- κ^4^N,N',N'',N''')nickel(II) perchlorate dihydrate","","- C11 H32 Cl N5 Ni O8 S -","- C11 H32 Cl N5 Ni O8 S -","- C88 H256 Cl8 N40 Ni8 O64 S8 -","8","1","HG2118","Hai-Qiong Yu,; Ya-Mei Pei; Zhi-Gang Liu","(<small>DL</small>-Methioninato-κ^2^<i>N</i>,<i>O</i>)(2,2',2''-triaminotriethylamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')nickel(II) perchlorate dihydrate","Acta Crystallographica Section E","2007","63","4","m1015","m1016","10.1107/S1600536806051804","","","0.71073","MoKα","","0.0755","0.068","","","0.1813","0.1898","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212927","10.4254","0.0009","7.9957","0.0007","27.826","0.002","90","","90","","90","","2319.5","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","phenyl(3-phenyloxiran-2-yl)methanone","phenyl 3-phenyloxiran-2-yl ketone","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","HK2208","Javeed H. Zaidi; Tahir Mehmood; Muhammad Zareef; Ghulam Qadeer; Wai-Yeung Wong","Phenyl 3-phenyloxiran-2-yl ketone","Acta Crystallographica Section E","2007","63","4","o1721","o1722","10.1107/S1600536807010409","","","0.71073","MoKα","","0.107","0.041","","","0.0878","0.1162","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212955","8.1505","0.0003","9.3471","0.0004","29.5889","0.0013","90","","90","","90","","2254.19","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Bromophenyl)pyridine-3-carboxamide","","- C12 H9 Br N2 O -","- C12 H9 Br N2 O -","- C96 H72 Br8 N16 O8 -","8","1","LH2326","Percival, Darryl; Storey, John M. D.; Harrison, William T. A.","<i>N</i>-(2-Bromophenyl)pyridine-3-carboxamide","Acta Crystallographica Section E","2007","63","4","o1851","o1852","10.1107/S1600536807010513","","","0.71073","MoKα","","0.0706","0.0367","","","0.0894","0.0983","","","","","","0.941","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212958","31.393","0.018","25.527","0.017","7.8","0.005","90","","90","","90","","6251","7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridinium perchlorate","","- C14 H12 Cl N3 O6 -","- C14 H12 Cl N3 O6 -","- C224 H192 Cl16 N48 O96 -","16","2","LH2329","Rybakov, Victor B.; Babaev, Eugene V.; Sonneveld, Eduard J.; Zhukov, Sergei G.; Chernyshev, Vladimir V.","1-Methyl-2-(4-nitrophenyl)imidazo[1,2-<i>a</i>]pyridinium perchlorate: a powder study","Acta Crystallographica Section E","2007","63","4","o1861","o1863","10.1107/S1600536807012354","","","1.54059","CuKα~1~","","","","","","","","","","2.105","","","","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2212966","8.1957","0.0001","15.8652","0.0003","17.1653","0.0003","90","","90","","90","","2231.94","0.06","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Methyl-2-phenyl-1H-indole","","- C15 H13 N -","- C15 H13 N -","- C120 H104 N8 -","8","1","NC2030","Hökelek, Tuncer; Seferoğlu, Zeynel; Şahin, Ertan; Ertan, Nermin","1-Methyl-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section E","2007","63","4","o1963","o1964","10.1107/S1600536807012962","","","0.71073","MoKα","","0.0968","0.0605","","","0.1391","0.1574","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212998","13.9586","0.0005","6.0703","0.0002","33.3498","0.0012","90","","90","","90","","2825.82","0.17","100","0.1","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(3-Bromophenyl)-3-(4-dimethylamino)prop-2-en-1-one","1-(3-Bromophenyl)-3-(4-dimethylamino)prop-2-en-1-one","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C136 H128 Br8 N8 O8 -","8","1","SG2150","P. S. Patil; Suchada Chantrapromma; Hoong-Kun Fun; S. M. Dharmaprakash","1-(3-Bromophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2007","63","4","o1738","o1740","10.1107/S160053680701118X","","","0.71073","MoKα","","0.074","0.0456","","","0.1132","0.1341","","","","","","1.15","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213055","12.0533","0.0005","13.0595","0.0006","26.0147","0.0011","90","","90","","90","","4095","0.3","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrachloridomanganate(II)","","- C12 H32 Cl4 Mn N2 -","- C12 H32 Cl4 Mn N2 -","- C96 H256 Cl32 Mn8 N16 -","8","1","WN2128","Clegg, William; Martin, Nicola C.","Bis(triethylammonium) tetrachloridomanganate(II)","Acta Crystallographica Section E","2007","63","4","m1151","m1151","10.1107/S1600536807012317","","","0.71073","MoKα","","0.0417","0.0381","","","0.0872","0.0895","","","","","","1.097","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213058","17.272","0.003","16.718","0.002","17.789","0.004","90","","90","","90","","5136.6","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[μ~2~-bis(diphenylphosphino)methane]di-μ~3~-bromo-di-μ~2~-bromo- tetrasilver(I)","","- C50 H44 Ag4 Br4 P4 -","- C50 H44 Ag4 Br4 P4 -","- C200 H176 Ag16 Br16 P16 -","4","0.5","XU2135","Xue-Hui Liu; Xi Liu; Bing Liu; Fa-Kun Zheng; Guo-Cong Guo","A centrosymmetric polymorph of bis[μ~2~-bis(diphenylphosphino)methane]di-μ~3~-bromo-di-μ~2~-bromo-tetrasilver(I)","Acta Crystallographica Section E","2007","63","4","m1029","m1030","10.1107/S1600536807005909","","","0.71073","MoKα","","0.164","0.066","","","0.147","0.196","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213073","8.9243","0.0005","13.4297","0.0007","20.2129","0.0011","90","","90","","90","","2422.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Bromophenyl)-N-methylnicotinamide","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C104 H88 Br8 N16 O8 -","8","1","ZL2007","Percival, Darryl; Storey, John M. D.; Harrison, William T. A.","<i>N</i>-(2-Bromophenyl)-<i>N</i>-methylnicotinamide","Acta Crystallographica Section E","2007","63","4","o1853","o1854","10.1107/S1600536807010707","","","0.71073","MoKα","","0.1076","0.0319","","","0.0448","0.05","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213075","10.9478","0.0018","12.688","0.002","19.479","0.003","90","","90","","90","","2705.7","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(5-bromidonicotinato)trimethyltin(IV)","","- C9 H14 Br N O3 Sn -","- C9 H14 Br N O3 Sn -","- C72 H112 Br8 N8 O24 Sn8 -","8","1","AT2242","Hong-Yun Wang; Han-Dong Yin; Da-Qi Wang","Aqua(5-bromidonicotinato)trimethyltin(IV)","Acta Crystallographica Section E","2007","63","5","m1226","m1227","10.1107/S1600536807014043","","","0.71073","MoKα","","0.0389","0.024","","","0.0545","0.062","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213095","7.2848","0.0003","19.9139","0.0007","20.0634","0.001","90","","90","","90","","2910.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Allyl-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1H-1,2,4- triazole-5(4H)-thione","","- C14 H13 N4 O2 S -","- C14 H13 N4 O2 S -","- C112 H104 N32 O16 S8 -","8","1","AT2265","Yavuz Köysal; Şamil Işık; Umut Salgın; Nesrin Gökhan","4-Allyl-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2007","63","5","o2462","o2462","10.1107/S1600536807017163","","","0.71073","MoKα","","0.0568","0.0421","","","0.116","0.1234","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213100","10.156","0.003","10.339","0.004","35.621","0.012","90","","90","","90","","3740","2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-N,N-Diethyl-3-hydroxy-3,5-diphenylpent-4-enamide","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","1","AT2270","Zhi-Fang Yu; Yan-Gang Li; Juan Li; Zhi-Min Zhao","(<i>E</i>)-<i>N</i>,<i>N</i>-Diethyl-3-hydroxy-3,5-diphenylpent-4-enamide","Acta Crystallographica Section E","2007","63","5","o2490","o2490","10.1107/S1600536807017515","","","0.71073","MoKα","","0.1405","0.0536","","","0.1449","0.2023","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213122","8.235","0.001","14.573","0.002","29.099","0.003","90","","90","","90","","3492.1","0.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dibromido{2,4-dichloro-6-[3- (dimethylammonio)propyliminomethyl]phenolato}zinc(II)","","- C12 H16 Br2 Cl2 N2 O Zn -","- C12 H16 Br2 Cl2 N2 O Zn -","- C96 H128 Br16 Cl16 N16 O8 Zn8 -","8","1","BH2090","Wang, Li-Hua; Li, Li-Zhong","Dibromido{2,4-dichloro-6-[3-(dimethylammonio)propyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2007","63","5","m1217","m1219","10.1107/S1600536807014201","","","0.71073","MoKα","","0.0871","0.0503","","","0.0978","0.1114","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213124","18.5808","0.0009","23.6715","0.0014","18.4205","0.0011","90","","90","","90","","8102","0.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(1,10-phenanthroline-κ^2^N,N')iron(II) dichloride methanol hexasolvate","","- C42 H48 Cl2 Fe N6 O6 -","- C42 H48 Cl2 Fe N6 O6 -","- C336 H384 Cl16 Fe8 N48 O48 -","8","1","BH2092","Aparici Plaza, Luis; Baranowska, Katarzyna; Becker, Barbara","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) dichloride methanol hexasolvate","Acta Crystallographica Section E","2007","63","5","m1537","m1539","10.1107/S1600536807019873","","","0.71073","MoKα","","0.087","0.0575","","","0.1485","0.1644","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213158","14.3752","0.0009","11.3099","0.0007","37.302","0.002","90","","90","","90","","6064.6","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H7 Br Cl3 F O -","- C15 H7 Br Cl3 F O -","- C240 H112 Br16 Cl48 F16 O16 -","16","2","BT2309","V. Dhanasekaran; D. Gayathri; D. Velmurugan; K. Ravikumar; M. S. Karthikeyan","2-Bromo-3-(4-chlorophenyl)-1-(2,4-dichloro-5-fluorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","5","o2060","o2061","10.1107/S1600536807013852","","","0.71073","MoKα","","0.0683","0.0389","","","0.0923","0.1065","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213164","9.46","0.001","20.194","0.003","9.496","0.001","90","","90","","90","","1814.1","0.4","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-N-(4-nitrophenyl)acetamide","","- C8 H7 Cl N2 O3 -","- C8 H7 Cl N2 O3 -","- C64 H56 Cl8 N16 O24 -","8","1","BT2318","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2-Chloro-<i>N</i>-(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2335","o2336","10.1107/S160053680701567X","","","1.5418","CuKα","","0.0467","0.035","","","0.0935","0.101","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213166","10.585","0.002","9.262","0.004","18.848","0.009","90","","90","","90","","1847.8","1.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-(4-methylphenyl)-2-chloroacetamide","2-Chloro-N-(4-methylphenyl)acetamide","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","BT2320","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2-Chloro-<i>N</i>-(4-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2333","o2334","10.1107/S1600536807015164","","","1.5418","CuKα","","0.1167","0.0972","","","0.2634","0.2879","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213185","8.1933","0.0007","8.8144","0.0007","35.209","0.003","90","","90","","90","","2542.8","0.4","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[aquacopper(II)]-μ-[(E)-2-(4-oxopentan-2-ylideneamino)benzoato- κ^4^O,N,O':O''] monohydrate]","","- C12 H15 Cu N O5 -","- C12 H15 Cu N O5 -","- C96 H120 Cu8 N8 O40 -","8","1","BT2346","Minna Cao; Shao-Min Shi; Fei-Hua Luo; Cui-Xia Cheng; Zong-Qiu Hu","<i>catena</i>-Poly[[[aquacopper(II)]-μ-[(<i>E</i>)-2-(4-oxopentan-2-ylideneamino)benzoato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']] monohydrate]","Acta Crystallographica Section E","2007","63","5","m1494","m1494","10.1107/S1600536807019514","","","0.71073","MoKα","","0.0655","0.0474","","","0.1064","0.1243","","","","","","0.991","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213191","16.7613","0.0016","7.4192","0.0005","20.856","0.002","90","","90","","90","","2593.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Nitro-1-(phenylsulfonyl)-1H-indole","","- C14 H10 N2 O4 S -","- C14 H10 N2 O4 S -","- C112 H80 N16 O32 S8 -","8","1","BV2055","Roy, Sujata; Gribble, Gordon W.; Jasinski, Jerry P.","2-Nitro-1-(phenylsulfonyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2007","63","5","o2628","o2629","10.1107/S160053680701896X","","","0.7107","MoKα","","0.0726","0.0581","","","0.1172","0.1238","","","","","","1.155","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213270","10.655","0.002","9.999","0.003","23.275","0.009","90","","90","","90","","2479.7","1.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(3,5-dichlorophenyl)-2,2,2-trimethylacetamide","","- C11 H13 Cl2 N O -","- C11 H13 Cl2 N O -","- C88 H104 Cl16 N8 O8 -","8","1","DN2142","Gowda, B. Thimme; Kožíšek, Jozef; Tokarčík, Miroslav; Fuess, Hartmut","<i>N</i>-(3,5-Dichlorophenyl)-2,2,2-trimethylacetamide","Acta Crystallographica Section E","2007","63","5","o2071","o2072","10.1107/S1600536807013980","","","0.71073","MoKα","","0.174","0.0941","","","0.1741","0.2058","","","","","","1.143","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213277","9.69","0.0012","10.1287","0.0016","23.923","0.003","90","","90","","90","","2348","0.6","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,2-Trimethyl-N-(4-methylphenyl)acetamide","","- C12 H17 N O -","- C12 H17 N O -","- C96 H136 N8 O8 -","8","1","DN2155","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","2,2,2-Trimethyl-<i>N</i>-(4-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2327","o2328","10.1107/S1600536807015140","","","0.71073","MoKα","","0.0983","0.073","","","0.1828","0.2019","","","","","","1.231","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213279","9.6933","0.0006","10.115","0.001","23.542","0.001","90","","90","","90","","2308.2","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-(4-chlorophenyl)-2,2,2-trimethylacetamide","N-(4-chlorophenyl)-2,2,2-trimethylacetamide","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C88 H112 Cl8 N8 O8 -","8","1","DN2157","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(4-Chlorophenyl)-2,2,2-trimethylacetamide","Acta Crystallographica Section E","2007","63","5","o2329","o2330","10.1107/S1600536807015474","","","1.5418","CuKα","","0.0512","0.0419","","","0.1246","0.1326","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213356","14.7132","0.0009","6.1977","0.0004","25.362","0.002","90","","90","","90","","2312.7","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ethyl 6-methoxy-2-naphthoate","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","HB2368","Yathirajan, H. S.; Bindya, S.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","Ethyl 6-methoxy-2-naphthoate","Acta Crystallographica Section E","2007","63","5","o2350","o2350","10.1107/S1600536807017977","","","0.71073","MoKα","","0.0533","0.0388","","","0.097","0.1027","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213368","13.308","0.0002","10.0043","0.0001","23.7968","0.0003","90","","90","","90","","3168.24","0.07","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2'-(5-Methyl-1<i>H</i>-indol-3-ylmethylene)benzenesulfonohydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C128 H120 N24 O16 S8 -","8","1","HB2390","Ali, Hapipah M.; Yusnita, Juahir; Ng, Seik Weng","2'-(5-Methyl-1<i>H</i>-indol-3-ylmethylene)benzenesulfonohydrazine","Acta Crystallographica Section E","2007","63","5","o2734","o2734","10.1107/S1600536807020065","","","0.71073","MoKα","","0.035","0.031","","","0.091","0.099","","","","","","1.01","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213378","13.341","0.002","15.34","0.003","15.725","0.003","90","","90","","90","","3218.1","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(η^5^-1-n-Butyl-2,3,4,5-tetramethylcyclopentadienyl)trichloridotitanium(IV)","","- C13 H21 Cl3 Ti -","- C13 H21 Cl3 Ti -","- C104 H168 Cl24 Ti8 -","8","1","HG2215","Su, Qing; Wu, Qiao-Lin; Ye, Ling; Mu, Ying","(η^5^-1-<i>n</i>-Butyl-2,3,4,5-tetramethylcyclopentadienyl)trichloridotitanium(IV)","Acta Crystallographica Section E","2007","63","5","m1448","m1449","10.1107/S1600536807016649","","","0.71073","MoKα","","0.0662","0.0457","","","0.1127","0.1204","","","","","","1.063","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213407","12.6184","0.0018","11.0787","0.0016","23.074","0.003","90","","90","","90","","3225.6","0.8","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-1-phenylbenzothieno[3,2-d]imidazo[1,2-a]pyrimidine-2,5(1H,3H)-dione","","- C19 H13 N3 O2 S -","- C19 H13 N3 O2 S -","- C152 H104 N24 O16 S8 -","8","1","HK2230","Min-Hui Cao","3-Methyl-1-phenylbenzothieno[3,2-<i>d</i>]imidazo[1,2-<i>a</i>]pyrimidine-2,5(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","5","o2660","o2660","10.1107/S1600536807017576","","","0.71073","MoKα","","0.0768","0.0496","","","0.1069","0.1149","","","","","","0.923","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213428","15.1483","0.0008","10.8842","0.0005","32.5725","0.0015","90","","90","","90","","5370.5","0.4","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(2,2'-bipyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate)","","- C25 H21 Cl2 N5 O9 Ru -","- C25 H21 Cl2 N5 O9 Ru -","- C200 H168 Cl16 N40 O72 Ru8 -","8","1","KP2096","Qvortrup, Katrine; McKenzie, Christine J.; Bond, Andrew D.","Aqua(2,2'-bipyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(perchlorate)","Acta Crystallographica Section E","2007","63","5","m1400","m1401","10.1107/S1600536807015504","","","0.71073","MoKα","","0.0896","0.0425","","","0.1006","0.117","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213459","9.8918","0.0003","10.3368","0.0004","40.9389","0.0015","90","","90","","90","","4186","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","","","bis(diphenylphosphino)methane","","- C25 H22 P2 -","- C25 H22 P2 -","- C200 H176 P16 -","8","1","LH2359","Burrow, Robert A.; Wouters, Felipe C.; Borges de Castro, Liérson; Peppe, Clovis","Redetermination of bis(diphenylphosphino)methane at 293(2) K","Acta Crystallographica Section E","2007","63","5","o2559","o2559","10.1107/S1600536807017679","","","0.71073","MoKα","","0.101","0.0489","","","0.1051","0.1202","","","","","","1.16","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213497","8.2205","0.0002","10.1243","0.0003","18.6848","0.0007","90","","90","","90","","1555.08","0.08","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","{2-Methylidene-3-[(phenylsulfanyl)methyl]but-3-en-1-ylsulfanyl}benzene","","- C18 H18 S2 -","- C18.002 H18 S2 -","- C72.008 H72 S8 -","4","0.5","OM2119","Sathiyanarayanan, K.; George Fernand, A.; Dhanasekaran, V.; Rathore, R. S.","{2-Methylidene-3-[(phenylsulfanyl)methyl]but-3-en-1-ylsulfanyl}benzene: flip-flop disorder","Acta Crystallographica Section E","2007","63","5","o2504","o2505","10.1107/S1600536807017680","","","0.71073","MoKα","","0.0533","0.0392","","","0.0937","0.1023","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213498","9.8609","0.0002","8.4986","0.0002","16.9639","0.0004","90","","90","","90","","1421.64","0.06","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,3,4-Tetrahydroquinoxaline","","- C8 H10 N2 -","- C8 H10 N2 -","- C64 H80 N16 -","8","1","OM2122","Pike, Robert D.; Dugan, Emily C.","1,2,3,4-Tetrahydroquinoxaline","Acta Crystallographica Section E","2007","63","5","o2772","o2773","10.1107/S1600536807020636","","","1.54178","CuKα","","0.0309","0.0299","","","0.086","0.0869","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213550","10.457","0.0001","10.452","0.0001","23.277","0.0004","90","","90","","90","","2544.1","0.06","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(cinnamato-κO)bis[2-(dimethylamino)ethanol-κ^2^N,O]copper(II)","","- C26 H36 Cu N2 O6 -","- C26 H36 Cu N2 O6 -","- C104 H144 Cu4 N8 O24 -","4","0.5","SJ2247","Tahir, Asif A.; Hamid, Mazhar; Mazhar, Muhammad; Molloy. Kieran C.","Bis(cinnamato-κ<i>O</i>)bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2007","63","5","m1243","m1245","10.1107/S1600536807013396","","","0.71073","MoKα","","0.054","0.0385","","","0.0994","0.1084","","","","","","1.145","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213589","19.718","0.005","15.994","0.004","20.097","0.005","90","","90","","90","","6338","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(triphenylphosphoranylidene)imminium di-μ-bromido-dibromidocuprate","","- C72 H60 Br4 Cu2 N2 P4 -","- C72 H60 Br4 Cu2 N2 P4 -","- C288 H240 Br16 Cu8 N8 P16 -","4","0.5","TK2143","Yakovenko, Andrey A.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.","Thermal disorder in the anion of bis(triphenylphosphoranylidene)iminium di-μ-bromido-bis[bromidocuprate(I)]","Acta Crystallographica Section E","2007","63","5","m1233","m1234","10.1107/S1600536807013578","","","0.71073","MoKα","","0.058","0.033","","","0.067","0.074","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213591","23.352","0.006","15.085","0.014","10.952","0.009","90","","90","","90","","3858","5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxy-4a-nitro-9-(phenylsulfonyl)-4,4a,9,9a-tetrahydro-1H-carbazol-2(3H)-one","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C152 H144 N16 O48 S8 -","8","1","TK2148","Kishbaugh, T. L. S.; Gribble, Gordon W.; Jasinski, Jerry P.","4-Methoxy-4a-nitro-9-(phenylsulfonyl)-4,4a,9,9a-tetrahydro-1<i>H</i>-carbazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","5","o2470","o2471","10.1107/S1600536807017448","","","0.71069","MoKα","","0.34","0.055","","","0.129","0.255","","","","","","0.93","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213602","10.7164","0.0001","8.134","0.0002","17.4336","0.0004","90","","90","","90","","1519.64","0.05","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromo-2-chloro-1-methoxy-benzene","","- C7 H6 Br Cl O -","- C7 H6 Br Cl O -","- C56 H48 Br8 Cl8 O8 -","8","1","WN2130","Song, Yang; Parkin, Sean; Lehmler, Hans-Joachim","4-Bromo-2-chloro-1-methoxybenzene","Acta Crystallographica Section E","2007","63","5","o2091","o2092","10.1107/S1600536807013372","","","0.71073","MoKα","","0.0285","0.0186","","","0.0392","0.0408","","","","","","0.956","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213625","9.4711","0.0014","13.1959","0.0016","17.773","0.004","90","","90","","90","","2221.3","0.7","295","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Nitrophenyl)pyrrolidine-2-carboxamide","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C88 H104 N24 O24 -","8","1","YA2040","Liu, Wei; Guo, Yan-Ling; Han, Cong; Cheng, Shao-Ling","1-(4-Nitrophenyl)pyrrolidine-2-carboxamide","Acta Crystallographica Section E","2007","63","5","o2778","o2779","10.1107/S1600536807020120","","","0.71073","MoKα","","0.092","0.048","","","0.091","0.123","","","","","","1.06","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213641","12.615","0.003","9.564","0.003","21.792","0.006","90","","90","","90","","2629.2","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-N-phenylpiperazine-1-carbothioamide","","- C12 H17 N3 S -","- C12 H17 N3 S -","- C96 H136 N24 S8 -","8","1","AT2276","Huan-Mei Guo","4-Methyl-<i>N</i>-phenylpiperazine-1-carbothioamide","Acta Crystallographica Section E","2007","63","6","o2781","o2781","10.1107/S1600536807020855","","","0.71073","MoKα","","0.0882","0.0396","","","0.0938","0.1127","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213649","17.593","0.004","16.005","0.003","30.446","0.006","90","","90","","90","","8573","3","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-κN^3^)cadmium(II)]-μ- cyclohexane-1,4-dicarboxylato] dihydrate]","","- C16 H26 Cd N4 O6 -","- C16 H26 Cd N4 O6 -","- C256 H416 Cd16 N64 O96 -","16","2","AT2287","Yuan-Jing Li","<i>catena</i>-Poly[[[bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium(II)]-μ-cyclohexane-1,4-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2007","63","6","m1654","m1655","10.1107/S1600536807022416","","","0.71073","MoKα","","0.0835","0.0538","","","0.1152","0.1273","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213659","16.8495","0.0009","7.232","0.0003","23.3405","0.0011","90","","90","","90","","2844.2","0.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3,5-Dibromo-2-hydroxybenzylideneamino)isoindole-1,3-dione","","- C15 H8 Br2 N2 O3 -","- C15 H8 Br2 N2 O3 -","- C120 H64 Br16 N16 O24 -","8","1","AT2298","Jing, Zuo-Liang; Li, Rui-Ning; Zhai, Jia-Qi","2-(3,5-Dibromo-2-hydroxybenzylideneamino)isoindole-1,3-dione","Acta Crystallographica Section E","2007","63","6","o3002","o3002","10.1107/S1600536807024804","","","0.7107","MoKα","","0.0624","0.0593","","","0.1249","0.1263","","","","","","1.201","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213697","10.214","0.001","6.8111","0.0004","28.336","0.001","90","","90","","90","","1971.3","0.2","303","2","303","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Potassium N-chlorobenzenesulfonamidate monohydrate","Potassium N-chlorobenzenesulfonamidate monohydrate","","- C6 H7 Cl K N O3 S -","- C6 H7 Cl K N O3 S -","- C48 H56 Cl8 K8 N8 O24 S8 -","8","1","BT2364","B. Thimme Gowda; Sabine Foro; Jozef Kožíšek; Hartmut Fuess","Potassium <i>N</i>-chlorobenzenesulfonamidate monohydrate","Acta Crystallographica Section E","2007","63","6","m1688","m1688","10.1107/S1600536807024178","","","1.5418","CuKα","","0.1024","0.0459","","","0.1071","0.1229","","","","","","0.994","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213710","12.218","0.002","10.928","0.002","16.757","0.003","90","","90","","90","","2237.4","0.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(3-Pyridylmethyl)salicylamide","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","BX2076","Ke-Wei Lei; Jian-Li Lin; Xiao-hui Wen; Yun-Song Zhou","<i>N</i>-(3-Pyridylmethyl)salicylamide","Acta Crystallographica Section E","2007","63","6","o3007","o3007","10.1107/S1600536807022969","","","0.71073","MoKα","","0.0514","0.0468","","","0.1235","0.1276","","","","","","1.115","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213726","9.9667","0.0006","12.6544","0.0008","18.9142","0.0012","90","","90","","90","","2385.5","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7,7-Dimethyl-2-phenyl-6,7-dihydro-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin- 5-amine","","- C12 H14 N6 -","- C12 H14 N6 -","- C96 H112 N48 -","8","1","CI2379","Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung","7,7-Dimethyl-2-phenyl-6,7-dihydro-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5-amine","Acta Crystallographica Section E","2007","63","6","o2796","o2796","10.1107/S1600536807021009","","","0.71073","MoKα","","0.0597","0.0506","","","0.1197","0.126","","","","","","1.108","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213730","8.2054","0.0016","9.1736","0.0018","17.846","0.004","90","","90","","90","","1343.3","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]nickel(II)]","","- C10 H6 N12 Ni -","- C10 H6 N12 Ni -","- C40 H24 N48 Ni4 -","4","0.5","CI2385","Liu, Ju-Tao; Fan, Sheng-Di","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]nickel(II)]","Acta Crystallographica Section E","2007","63","6","m1632","m1632","10.1107/S1600536807021976","","","0.71073","MoKα","","0.0663","0.0533","","","0.0993","0.1051","","","","","","1.198","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213753","10.9045","0.0013","18.509","0.002","21.228","0.003","90","","90","","90","","4284.5","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(benzoylmethyl)-4-[(2,4-dichlorobenzylidene)amino]-3-(2-thienylmethyl)- 4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","","- C22 H16 Cl2 N4 O2 S -","- C22 H16 Cl2 N4 O2 S -","- C176 H128 Cl16 N32 O16 S8 -","8","1","DN2175","Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Ünver, Yasemin; Vázquez-López, Ezequiel M.","1-(Benzoylmethyl)-4-[(2,4-dichlorobenzylidene)amino]-3-(2-thienylmethyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazol-5-one","Acta Crystallographica Section E","2007","63","6","o2982","o2983","10.1107/S1600536807024701","","","0.71073","MoKα","","0.2328","0.0494","","","0.0945","0.131","","","","","","0.836","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213779","12.06","0.002","10.8025","0.0018","17.863","0.003","90","","90","","90","","2327.2","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis{2-[(E)-cyclopentyliminomethyl]-6-methoxyphenolato}copper(II)","","- C26 H32 Cu N2 O4 -","- C26 H32 Cu N2 O4 -","- C104 H128 Cu4 N8 O16 -","4","0.5","GK2077","Hou, Hai-Yun","Bis{2-[(<i>E</i>)-cyclopentyliminomethyl]-6-methoxyphenolato}copper(II)","Acta Crystallographica Section E","2007","63","6","m1766","m1766","10.1107/S1600536807023860","","","0.71073","MoKα","","0.0595","0.0394","","","0.0972","0.1077","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213782","11.964","0.002","7.7882","0.0016","33.893","0.007","90","","90","","90","","3158.1","1.1","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-poly[[diaqua(2,4-dihydroxybenzoato)cadmium(II)]-μ-2,4-dihydroxybenzoato]","","- C14 H14 Cd O10 -","- C14 H14 Cd O10 -","- C112 H112 Cd8 O80 -","8","1","HB2367","Wang, Zi-Liang; Wei, Lin-Heng; Niu, Ying-Peng","A one-dimensional coordination polymer: <i>catena</i>-poly[[diaqua(2,4-dihydroxybenzoato)cadmium(II)]-μ-2,4-dihydroxybenzoato]","Acta Crystallographica Section E","2007","63","6","m1639","m1639","10.1107/S160053680702243X","","","0.71073","MoKα","","0.032","0.0293","","","0.067","0.0685","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213784","8.44","0.0016","16.473","0.003","18.47","0.005","90","","90","","90","","2567.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","rac-2,7-bis(2-hydroxy-2-propyl)-trans-oxepane","","- C12 H24 O3 -","- C12 H24 O3 -","- C96 H192 O24 -","8","1","HB2377","Roberto Centore; Vincenzo Piccialli; Angela Tuzi","<i>rac</i>-2,7-Bis(2-hydroxy-2-propyl)-<i>trans</i>-oxepane","Acta Crystallographica Section E","2007","63","6","o2907","o2908","10.1107/S1600536807022428","","","0.71073","MoKα","","0.0985","0.0444","","","0.0843","0.1017","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213794","33.261","0.019","7.951","0.005","7.461","0.005","90","","90","","90","","1973","2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","bis(1-acetyl-2-naphtholato)diaquamagnesium(II)","","- C24 H22 Mg O6 -","- C24 H22 Mg O6 -","- C96 H88 Mg4 O24 -","4","0.5","HB2401","Li-Hua Wang; Jie Yin; Xi-Shi Tai","Bis(1-acetyl-2-naphtholato)diaquamagnesium(II)","Acta Crystallographica Section E","2007","63","6","m1665","m1665","10.1107/S1600536807023677","","","0.71073","MoKα","","0.07","0.0521","","","0.109","0.1148","","","","","","1.056","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2213798","15.614","0.002","12.4561","0.0018","16.87","0.003","90","","90","","90","","3281","0.9","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[aqua(2,2-bipyridyl)(μ~3~pyridine-3,4-dicarboxylato)manganese(II)] monohydrate]","","- C17 H15 Mn N3 O6 -","- C17 H15 Mn N3 O6 -","- C136 H120 Mn8 N24 O48 -","8","1","HB2406","Xiu-Mei Li; Yan-Ling Niu; Qing-Wei Wang; Bo Liu","Poly[[aqua(2,2-bipyridyl)(μ~3~-pyridine-3,4-dicarboxylato)manganese(II)] monohydrate]","Acta Crystallographica Section E","2007","63","6","m1737","m1738","10.1107/S1600536807023586","","","0.71073","MoKα","","0.0465","0.0341","","","0.0874","0.0923","","","","","","1.007","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213809","10.4665","0.0007","15.778","0.001","23.439","0.002","90","","90","","90","","3870.7","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Bis[(2-hydroxy-3-methoxyphenyl)methylamino]benzene","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","1","HB2420","Chen, Yi-Feng; Ng, Seik Weng","1,2-Bis[(2-hydroxy-3-methoxyphenyl)methylamino]benzene","Acta Crystallographica Section E","2007","63","6","o2988","o2988","10.1107/S160053680702452X","","","0.71073","MoKα","","0.109","0.045","","","0.102","0.132","","","","","","0.99","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213842","7.2306","0.0009","14.1058","0.0017","19.403","0.002","90","","90","","90","","1979","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","methyl 2,6-dimethoxybenzoate","","- C10 H12 O4 -","- C10 H12 O4 -","- C80 H96 O32 -","8","1","HK2257","Ghulam Qadeer; Nasim Hasan Rama; Muhammad Azaad Malik; Madeleine Helliwell","Methyl 2,6-dimethoxybenzoate","Acta Crystallographica Section E","2007","63","6","o3027","o3027","10.1107/S1600536807025238","","","0.71073","MoKα","","0.0655","0.0368","","","0.0695","0.0756","","","","","","0.847","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213867","8.1122","0.0002","9.3093","0.0002","30.2818","0.0008","90","","90","","90","","2286.85","0.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Chlorophenyl)benzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","KP2106","B. Thimme Gowda; B. P. Sowmya; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","<i>N</i>-(2-Chlorophenyl)benzamide","Acta Crystallographica Section E","2007","63","6","o2906","o2906","10.1107/S1600536807022878","","","0.71073","MoKα","","0.0641","0.051","","","0.1488","0.1708","","","","","","1.106","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213872","14.921","0.007","8.885","0.005","18.954","0.01","90","","90","","90","","2513","2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 2-(thiazol-2-ylcarbamoyl)benzoate","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C96 H80 N16 O24 S8 -","8","1","LH2365","Liang, Zu-Pei; Li, Jian; Wan, Ai-Yu; Wang, Hui-Qin","Methyl 2-[<i>N</i>-(thiazol-2-yl)carbamoyl]benzoate","Acta Crystallographica Section E","2007","63","6","o2819","","10.1107/S1600536807021241","","","0.71073","MoKα","","0.0729","0.0402","","","0.0943","0.1127","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213888","13.7628","0.0008","13.0656","0.0008","16.9752","0.001","90","","90","","90","","3052.5","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Hydrazinecarbonyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H15 N3 O8 S -","- C13 H15 N3 O8 S -","- C104 H120 N24 O64 S8 -","8","1","LH2389","Xie, Zhi-Yuan","4-(Hydrazinecarbonyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2007","63","6","o2956","o2956","10.1107/S1600536807023124","","","0.71073","Mokα","","0.0857","0.0574","","","0.1174","0.1296","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213899","16.2219","0.0007","8.5208","0.0002","18.1612","0.0007","90","","90","","90","","2510.31","0.16","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Fluoro-4-methyl-2-(3-pyridyl)-1,2,3,4-tetrahydroquinoline","","- C15 H15 F N2 -","- C15 H15 F N2 -","- C120 H120 F8 N16 -","8","1","LX2006","Vizcaya, Luis A.; Mora, Asiloé J.; Vargas, Leonor Y.; Kouznetsov, Vladimir V.; Bahsas, Ali","6-Fluoro-4-methyl-2-(3-pyridyl)-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2007","63","6","o2914","o2914","10.1107/S1600536807022222","","","0.50915","synchrotron","","0.0674","0.0629","","","0.1755","0.1783","","","","","","1.131","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213903","8.4797","0.0005","10.593","0.0005","13.8527","0.001","90","","90","","90","","1244.33","0.13","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","MG2024","Farrugia, Louis J.","Sodium tungstate dihydrate: a redetermination","Acta Crystallographica Section E","2007","63","6","i142","i142","10.1107/S1600536807023355","","","0.71073","MoKα","","0.023","0.0207","","","","0.0532","","","","","","1.256","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213914","11.208","0.005","7.89","0.003","31.212","0.013","90","","90","","90","","2760","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triaqua[2-(carboxylatomethyliminomethyl)-4-formylphenolato- κ^3^O,N,O']manganese(II) monohydrate","","- C10 H15 Mn N O8 -","- C10 H15 Mn N O8 -","- C80 H120 Mn8 N8 O64 -","8","1","NG2264","Jin-Hua Cai","Triaqua[2-(carboxylatomethyliminomethyl)-4-formylphenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']manganese(II) monohydrate","Acta Crystallographica Section E","2007","63","6","m1631","m1631","10.1107/S1600536807021824","","","0.71073","MoKα","","0.0569","0.0392","","","0.0956","0.1003","","","","","","1.043","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213920","7.1956","0.0006","16.832","0.0014","33.054","0.003","90","","90","","90","","4003.4","0.6","293","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Dimethoxyacetanilide","","- C10 H13 N O3 -","- C10 H13 N O3 -","- C160 H208 N16 O48 -","16","2","OM2120","Lai, Qing-Lin; Zhao, Qing-Jie; Liu, Zheng; Shen, Jing-Shan","3,5-Dimethoxyacetanilide","Acta Crystallographica Section E","2007","63","6","o2782","o2782","10.1107/S1600536807020600","","","0.71073","MoKα","","0.0573","0.0421","","","0.1001","0.1082","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214046","10.7352","0.0002","14.9914","0.0002","20.4561","0.0003","90","","90","","90","","3292.12","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 1-benzyl-3-phenyl-1<i>H</i>-pyrazole-5-carboxylate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C152 H144 N16 O16 -","8","1","BG2070","Xia, Yong; Dong, Wen-Liang; Ding, Xiao-Ling; Zhao, Bao-Xiang","Ethyl 1-benzyl-3-phenyl-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2007","63","7","o3298","o3298","10.1107/S1600536807030139","","","0.71073","MoKα","","0.0979","0.0437","","","0.0963","0.1196","","","","","","0.984","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214047","18.842","0.005","14.557","0.004","21.343","0.006","90","","90","","90","","5854","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[tetra-μ~2~-aqua-heptaaqua(μ~2~-benzene-1,3,5-tricarboxylato)- μ~3~-hydroxido-trinickel(II)sodium]-μ~4~-benzene-1,3,5-tricarboxylato] sesquihydrate]","","- C18 H32 Na Ni3 O25.5 -","- C18 H32 Na Ni3 O25.5 -","- C144 H256 Na8 Ni24 O204 -","8","1","BH2098","Yan, Ying; Li, Weihua; Hou, Baorong","catena-Poly[[[tetra-μ~2~-aqua-heptaaqua(μ~2~-benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trinickel(II)sodium]-μ~4~-benzene-1,3,5-tricarboxylato] sesquihydrate]","Acta Crystallographica Section E","2007","63","7","m1921","m1922","10.1107/S1600536807026359","","","0.71073","MoKα","","0.1506","0.0566","","","0.0846","0.1266","","","","","","0.889","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214108","9.145","0.001","13.215","0.001","15.993","0.001","90","","90","","90","","1932.8","0.3","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-Dimethylphenyl)acetamide","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","BX2089","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(2,6-Dimethylphenyl)acetamide","Acta Crystallographica Section E","2007","63","7","o3154","o3154","10.1107/S1600536807027031","","","1.5418","CuKα","","0.1036","0.0564","","","0.1569","0.182","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214118","16.0181","0.0008","15.329","0.0007","17.255","0.0008","90","","90","","90","","4236.8","0.3","295","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1'-(Butane-1,4-diyl)dipyridinium dibromidodiiodidomercurate(II)","","- C14 H18 Br2 Hg I2 N2 -","- C14 H18 Br2 Hg I2 N2 -","- C112 H144 Br16 Hg8 I16 N16 -","8","1","CI2389","Jia, Han-Dong; Li, Zhong-Jun; Niu, Yun-Yin; Liu, Xiu-Cun; Ng, Seik Weng","1,1'-(Butane-1,4-diyl)dipyridinium dibromidodiiodidomercurate(II)","Acta Crystallographica Section E","2007","63","7","m1895","m1895","10.1107/S160053680702747X","","","0.71073","MoKα","","0.058","0.035","","","0.082","0.091","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214122","12.997","0.003","12.525","0.003","19.386","0.004","90","","90","","90","","3155.8","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{2-[2-(Piperidin-1-yl)ethyliminomethyl]phenolato-κ^3^N,N',O}(thiocyanato- κN)nickel(II)","","- C15 H19 N3 Ni O S -","- C15 H19 N3 Ni O S -","- C120 H152 N24 Ni8 O8 S8 -","8","1","CI2396","Shou-Xing Wang","{2-[2-(Piperidin-1-yl)ethyliminomethyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","7","m1946","m1946","10.1107/S1600536807029340","","","0.71073","MoKα","","0.0698","0.0427","","","0.0952","0.107","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214216","12.923","0.003","7.3253","0.0017","31.765","0.007","90","","90","","90","","3007","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Phenylbenzoyl)-4,5,6,7-tetrahydro-1,2,3-triazolo[1,5-a]pyrimidine","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","HB2428","Chu-Yi Yu; Xue-Ning Yuan; Zhi-Tang Huang","3-(4-Phenylbenzoyl)-4,5,6,7-tetrahydro-1,2,3-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2007","63","7","o3064","o3064","10.1107/S1600536807025986","","","0.71073","MoKα","","0.0938","0.0441","","","0.0901","0.1063","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214217","14.644","0.005","7.597","0.003","22.711","0.008","90","","90","","90","","2526.6","1.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzoyl-4-methyl-5,6,7-tetrahydro-1,2,3-triazolo[1,5-a]pyrimidine","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C104 H112 N32 O8 -","8","1","HB2429","Chu-Yi Yu; Xue-Ning Yuan; Zhi-Tang Huang","3-Benzoyl-4-methyl-4,5,6,7-tetrahydro-1,2,3-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2007","63","7","o3078","o3078","10.1107/S1600536807025998","","","0.71073","MoKα","","0.0826","0.0407","","","0.0963","0.1155","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214225","14.433","0.0004","16.0837","0.0004","16.4677","0.0005","90","","90","","90","","3822.75","0.18","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(5-aminoisoquinoline)diazidozinc(II)","","- C18 H16 N10 Zn -","- C18 H16 N10 Zn -","- C144 H128 N80 Zn8 -","8","1","HB2440","Zhi-Xin Miao; Min Shao; Ming-Xing Li","Bis(5-aminoisoquinoline)diazidozinc(II)","Acta Crystallographica Section E","2007","63","7","m1808","m1808","10.1107/S1600536807026700","","","0.71073","MoKα","","0.0459","0.0293","","","0.068","0.0765","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214227","18.4654","0.0003","15.2416","0.0002","28.8619","0.0005","90","","90","","90","","8123","0.2","293","2","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","[N-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2-)- κ^2^S,S']bis(triphenylphosphine-κP)nickel(II)","","- C43 H33 Cl2 N Ni O2 P2 S3 -","- C43 H33 Cl2 N Ni O2 P2 S3 -","- C344 H264 Cl16 N8 Ni8 O16 P16 S24 -","8","1","HB2442","Novais, Celice; Guilardi, Silvana; Machado Jr, Iterlandes; Oliveira, Marcelo R. L.","[<i>N</i>-(2,5-Dichlorophenylsulfonyl)dithiocarbimato(2{-})-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphine-κ<i>P</i>)nickel(II)","Acta Crystallographica Section E","2007","63","7","m1981","m1982","10.1107/S1600536807029844","","","0.71073","MoKα","","","0.0466","","","","0.1235","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214236","16.885","0.002","7.7823","0.0011","21.974","0.003","90","","90","","90","","2887.5","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5,6,7-Tetrachloro-2-hydroxyisoindoline-1,3-dione N,N-dimethylformamide solvate","","- C11 H8 Cl4 N2 O4 -","- C11 H8 Cl4 N2 O4 -","- C88 H64 Cl32 N16 O32 -","8","1","HB2456","Li, Jian","4,5,6,7-Tetrachloro-2-hydroxyisoindoline-1,3-dione <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2007","63","7","o3333","o3333","10.1107/S1600536807030656","","","0.71073","MoKα","","0.044","0.0353","","","0.0885","0.0946","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214246","7.5298","0.0012","13.268","0.002","33.912","0.005","90","","90","","90","","3388","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II)","","- C18 H21 N5 Ni O -","- C18 H21 N5 Ni O -","- C144 H168 N40 Ni8 O8 -","8","1","HG2245","Zhou, Zhi; Xiao, Zun-Hong","Azido{2-[2-(piperidin-1-yl)ethyliminomethyl]-1-naphtholato}nickel(II)","Acta Crystallographica Section E","2007","63","7","m2012","m2012","10.1107/S1600536807030930","","","0.71073","MoKα","","0.0746","0.0386","","","0.0824","0.0965","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214286","8.1416","0.0009","12.7121","0.001","20.7789","0.0013","90","","90","","90","","2150.6","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-4-nitro-1-(4-nitrophenyl)-1H-imidazole","","- C10 H8 N4 O4 -","- C10 H8 N4 O4 -","- C80 H64 N32 O32 -","8","1","KP2111","Wagner, Paweł; Kubicki, Maciej","2-Methyl-4-nitro-1-(4-nitrophenyl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2007","63","7","o3083","o3083","10.1107/S1600536807026244","","","0.71073","MoKα","","0.0666","0.0383","","","0.0827","0.0986","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214312","17.624","0.002","7.2013","0.0014","34.853","0.003","90","","90","","90","","4423.4","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(2-hydroxyethyliminomethyl)-6-methoxyphenolato-κ^2^N^2^,O^1^]zinc(II)","","- C20 H24 N2 O6 Zn -","- C20 H24 N2 O6 Zn -","- C160 H192 N16 O48 Zn8 -","8","1","LH2415","Jian-Fang Dong; Lian-Zhi Li; Wen-Jian Yu; Hui Cui; Da-Qi Wang","Bis[2-(2-hydroxyethyliminomethyl)-6-methoxyphenolato-κ^2^<i>N</i>,<i>O</i>^1^]zinc(II)","Acta Crystallographica Section E","2007","63","7","m1992","m1992","10.1107/S1600536807030206","","","0.71073","MoKα","","0.111","0.0777","","","0.1604","0.1701","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214314","9.6762","0.0007","8.0284","0.0006","31.515","0.002","90","","90","","90","","2448.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","p-Ferrocenylaniline","","- C16 H15 Fe N -","- C16 H15 Fe N -","- C128 H120 Fe8 N8 -","8","1","LH2417","Danielle M. Bequeath; Matthias Zeller; William J. Karnofel; Courtney L. Hoch; Larry S. Curtin","<i>p</i>-Ferrocenylaniline","Acta Crystallographica Section E","2007","63","7","m1866","m1867","10.1107/S160053680702764X","","","0.71073","MoKα","","0.0462","0.044","","","0.0941","0.0951","","","","","","1.31","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214333","16.0781","0.0007","9.8406","0.0004","22.2201","0.0008","90","","90","","90","","3515.6","0.2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Naphthylmethyl N-[1-(4-pyridyl)ethylidene]hydrazinecarbodithioate","","- C19 H17 N3 S2 -","- C19 H17 N3 S2 -","- C152 H136 N24 S16 -","8","1","LW2018","How, Fiona N.-F.; Watkin, David J.; Crouse, Karen A.; M. Ibrahim M. Tahir","2-Naphthylmethyl <i>N</i>-[1-(4-pyridyl)ethylidene]hydrazinecarbodithioate","Acta Crystallographica Section E","2007","63","7","o3135","o3136","10.1107/S1600536807025652","","","0.71073","MoKα","","0.1306","0.0731","","0.211","0.1819","0.211","","","","","","0.9178","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214334","16.705","0.003","5.5968","0.001","37.73","0.007","90","","90","","90","","3527.5","1.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1E)-5-Amino-1,5-bis[4-(methylsulfanyl)phenyl]pent-1-en-3-one","","- C19 H21 N O S2 -","- C19 H21 N O S2 -","- C152 H168 N8 O8 S16 -","8","1","LW2020","Harrison, William T. A.; Sarojini, B. K.; Bindya, S.; Narayana, B.; Yathirajan, H. S.","(1<i>E</i>)-5-Amino-1,5-bis[4-(methylsulfanyl)phenyl]pent-1-en-3-one","Acta Crystallographica Section E","2007","63","7","o3142","o3142","10.1107/S1600536807026049","","","0.71073","MoKα","","0.1322","0.0533","","","0.12","0.1494","","","","","","0.914","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214340","6.1458","0.0003","8.2749","0.0004","24.2995","0.0011","90","","90","","90","","1235.77","0.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","mesna","Sodium 2-mercaptoethanesulfonate","","- C2 H5 Na O3 S2 -","- C2 H5 Na O3 S2 -","- C16 H40 Na8 O24 S16 -","8","1","LX2014","Bambagiotti-Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio","Sodium 2-mercaptoethanesulfonate (mesna)","Acta Crystallographica Section E","2007","63","7","o1796","o1796","10.1107/S1600536807025688","","","1.5418","CuKα","","0.033","0.0318","","","0.0914","0.0927","","","","","","1.116","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214381","11.9729","0.0018","16.584","0.002","22.581","0.004","90","","90","","90","","4483.7","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Chloro-4,6-bis(1,1,3,3-tetramethylbutylamino)-s-triazine","","- C19 H36 Cl N5 -","- C19 H36 Cl N5 -","- C152 H288 Cl8 N40 -","8","1","RN2026","Fan-Yong Yan","2-Chloro-4,6-bis(1,1,3,3-tetramethylbutylamino)-<i>s</i>-triazine","Acta Crystallographica Section E","2007","63","7","o3327","o3327","10.1107/S1600536807030334","","","0.71073","MoKα","","0.1263","0.0489","","","0.1159","0.1633","","","","","","1.038","","","","has coordinates,has disorder","176787","2020-10-21","18:00:00",""
"2214397","10.0338","0.0007","11.5819","0.0008","34.499","0.003","90","","90","","90","","4009.1","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Bromo-5-[(4-chlorobenzylidene)amino]-1-[2,6-dichloro-4- (trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile","","- C18 H7 Br Cl3 F3 N4 -","- C18 H7 Br Cl3 F3 N4 -","- C144 H56 Br8 Cl24 F24 N32 -","8","1","TK2157","Yu, Xiao-Chun; Li, Shu-Yan; Zhong, Ping","4-Bromo-5-[(4-chlorobenzylidene)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-carbonitrile","Acta Crystallographica Section E","2007","63","7","o3098","o3098","10.1107/S1600536807026256","","","0.71073","MoKα","","0.095","0.058","","","0.158","0.186","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214422","15.7231","0.0013","12.63","0.002","16.522","0.002","90","","90","","90","","3281","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[[aqua(2,2-bipyridine)iron(II)]-μ~3~-pyridine-3,4-dicarboxylato] monohydrate]","","- C17 H15 Fe N3 O6 -","- C17 H15 Fe N3 O6 -","- C136 H120 Fe8 N24 O48 -","8","1","WM2122","Hao, Lu-Jiang; Yu, Tong-Li","Poly[[[aqua(2,2-bipyridine)iron(II)]-μ~3~-pyridine-3,4-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2007","63","7","m1926","m1926","10.1107/S160053680702867X","","","0.71073","MoKα","","0.0469","0.0369","","","0.1033","0.1085","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214479","10.4331","0.0014","15.7674","0.0016","23.398","0.002","90","","90","","90","","3849","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,6'-Dimethoxy-2,2'-(o-phenylenediimino)diphenol","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","1","AT2321","Liu, Y.-F.; Xia, H.-T.; Yang, S.-P.; Wang, D.-Q.","6,6'-Dimethoxy-2,2'-(<i>o</i>-phenylenediimino)diphenol","Acta Crystallographica Section E","2007","63","8","o3562","o3562","10.1107/S1600536807027778","","","0.71073","MoKα","","0.1271","0.0465","","","0.079","0.0961","","","","","","0.811","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214514","16.854","0.005","6.78","0.002","24.749","0.008","90","","90","","90","","2828.1","1.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5,6,7-Tetrachloro-2-phenylisoindoline-1,3-dione","","- C14 H5 Cl4 N O2 -","- C14 H5 Cl4 N O2 -","- C112 H40 Cl32 N8 O16 -","8","1","BI2206","Li, Jian","4,5,6,7-Tetrachloro-2-phenylisoindoline-1,3-dione","Acta Crystallographica Section E","2007","63","8","o3515","o3515","10.1107/S1600536807034290","","","0.71073","MoKα","","0.0499","0.0424","","","0.1092","0.1171","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214541","11.7563","0.0004","16.3925","0.0005","19.7019","0.0007","90","","90","","90","","3796.9","0.2","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^N:N')(μ~2~-terephthalato- κ^2^O:O')zinc(II)]","","- C21 H18 N2 O4 Zn -","- C21 H18 N2 O4 Zn -","- C168 H144 N16 O32 Zn8 -","8","1","BT2419","E. Yang; Xu-Chun Song; You-Dan Lin; Shuang-Zhen Shen","Poly[(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')(μ~2~-terephthalato-κ^2^<i>O</i>:<i>O</i>')zinc(II)]","Acta Crystallographica Section E","2007","63","8","m2067","m2067","10.1107/S1600536807031625","","","0.71073","MoKα","","","0.0356","","","0.0891","0.0955","","","","","","0.937","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214542","14.306","0.002","8.625","0.002","18.317","0.004","90","","90","","90","","2260.1","0.8","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)acetamide","","- C8 H4 Cl5 N O -","- C8 H4 Cl5 N O -","- C64 H32 Cl40 N8 O8 -","8","1","BT2420","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2,2,2-Trichloro-<i>N</i>-(2,4-dichlorophenyl)acetamide","Acta Crystallographica Section E","2007","63","8","o3391","o3391","10.1107/S160053680703187X","","","1.5418","CuKα","","0.0606","0.0554","","","0.1497","0.1556","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214543","20.2386","0.0005","15.1259","0.0006","25.6234","0.001","90","","90","","90","","7844","0.5","108","2","108","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis(μ-diethyldithiocarbamato)bis[(η^5^- pentamethylcyclopentadienyl)iridium(III)] bis(perchlorate)","","- C30 H50 Cl2 Ir2 N2 O8 S4 -","- C30 H50 Cl2 Ir2 N2 O8 S4 -","- C240 H400 Cl16 Ir16 N16 O64 S32 -","8","1","BT2421","Michael Scharwitz; Iris M. Oppel; William S. Sheldrick","Bis(μ-diethyldithiocarbamato)bis[(η^5^-pentamethylcyclopentadienyl)iridium(III)] bis(perchlorate)","Acta Crystallographica Section E","2007","63","8","m2065","m2066","10.1107/S1600536807031868","","","0.71073","MoKα","","0.0425","0.0266","","","0.0581","0.0621","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214546","14.1439","0.0003","16.606","0.0003","25.8952","0.0006","90","","90","","90","","6082.1","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[<it>N</it>-(2-Aminoethyl)-<it>N</it>-(2-{(<it>E</it>)-[9-(diethoxymethyl)-\ 1,10-phenanthrolin-2-yl]methylideneamino}ethyl)ethane-1,2-diamine]copper(II) bis(perchlorate)","","- C24 H34 Cl2 Cu N6 O10 -","- C24 H34 Cl2 Cu N6 O10 -","- C192 H272 Cl16 Cu8 N48 O80 -","8","1","BT2424","Keypour, Hassan; Goudarziafshar, Hamid; Brisdon, Alan K.; Pritchard, Robin G.","[<i>N</i>-(2-Aminoethyl)-<i>N</i>-(2-{(<i>E</i>)-[9-(diethoxymethyl)-1,10-phenanthrolin-2-yl]methylideneamino}ethyl)ethane-1,2-diamine]copper(II) bis(perchlorate)","Acta Crystallographica Section E","2007","63","8","m2158","m2159","10.1107/S1600536807032953","","","0.71073","MoKα","","0.1381","0.0742","","","0.1988","0.2555","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214566","7.8086","0.0016","16.342","0.003","18.316","0.004","90","","90","","90","","2337.3","0.8","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Potassium (4-carboxypyridine-2,6-dicarboxylato)dioxidovanadate(V) monohydrate","","- C8 H5 K N O9 V -","- C8 H5 K N O9 V -","- C64 H40 K8 N8 O72 V8 -","8","1","CF2108","Holder, Alvin A.; VanDerveer, Don","Potassium (4-carboxypyridine-2,6-dicarboxylato)dioxidovanadate(V) monohydrate","Acta Crystallographica Section E","2007","63","8","m2051","m2052","10.1107/S1600536807031418","","","0.7107","MoKα","","0.0346","0.0323","","","0.0771","0.0788","","","","","","1.152","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214571","8.6247","0.0013","16.777","0.003","22.95","0.004","90","","90","","90","","3320.8","1","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,6-Dibenzyltetrazolo[1,5-<i>a</i>]pyrimidine-5,7(4<i>H</i>,6<i>H</i>)-dione","","- C18 H15 N5 O2 -","- C18 H15 N5 O2 -","- C144 H120 N40 O16 -","8","1","CF2114","Baruah, Pranjal K.; Gonnade, Rajesh G.; Sanjayan, Gangadhar J.","6,6-Dibenzyltetrazolo[1,5-<i>a</i>]pyrimidine-5,7(4<i>H</i>,6<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","8","o3550","o3550","10.1107/S1600536807034162","","","0.71073","MoKα","","0.1005","0.0515","","","0.1041","0.1217","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214586","13.6706","0.0002","8.2336","0.0001","27.7541","0.0004","90","","90","","90","","3123.95","0.07","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetra-μ-acetato-bis[(benzofuro[3,2-<i>c</i>]pyridine)copper(II)]","","- C30 H26 Cu2 N2 O10 -","- C30 H26 Cu2 N2 O10 -","- C120 H104 Cu8 N8 O40 -","4","0.5","CI2409","Vrábel, Viktor; Švorc, Ľubomír; Juristová, Nadežda; Miklovič, Jozef; Kožíšek, Jozef","Tetra-μ-acetato-bis[(benzofuro[3,2-<i>c</i>]pyridine)copper(II)]","Acta Crystallographica Section E","2007","63","8","m2112","m2113","10.1107/S1600536807032242","","","0.71073","MoKα","","0.0454","0.0342","","","0.091","0.1032","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214587","7.285","0.002","11.012","0.004","20.646","0.003","90","","90","","90","","1656.3","0.8","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1' sulfonyldiimidazole","","- C6 H6 N4 O2 S -","- C6 H6 N4 O2 S -","- C48 H48 N32 O16 S8 -","8","1","CI2410","Patel, Urmila H.; Patel, Bharat D.; Modh, Rajesh D.; Patel, Pinal D.","1,1'-Sulfonyldiimidazole","Acta Crystallographica Section E","2007","63","8","o3598","o3599","10.1107/S160053680703543X","","","0.71073","MoKα","","0.0591","0.0352","","","0.0741","0.0805","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214589","12.7918","0.0017","12.2489","0.0015","22.595","0.003","90","","90","","90","","3540.3","0.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-(2-Aminothiazol-3-ium-4-yl)-2-[2-(<i>tert</i>-butoxycarbonyl)- isopropoxyimino]acetate monohydrate","","- C13 H21 N3 O6 S -","- C13 H21 N3 O6 S -","- C104 H168 N24 O48 S8 -","8","1","CI2412","Xiang-Wei Cheng","(<i>Z</i>)-2-(2-Aminothiazol-3-ium-4-yl)-2-[2-(<i>tert</i>-butoxycarbonyl)isopropoxyimino]acetate monohydrate","Acta Crystallographica Section E","2007","63","8","o3582","o3582","10.1107/S1600536807034939","","","0.7107","MoKα","","0.0439","0.0415","","","0.0893","0.0906","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214617","14.5462","0.0005","25.5247","0.0009","41.5719","0.0012","90","","90","","90","","15435.1","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-Oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-\ bis[(η^5^-pentamethylcyclopentadienyl)(trifluoromethanesulfonato-\ κ<i>O</i>)rhodium(III)]","","- C24 H30 F6 O10 Rh2 S2 -","- C24 H30 F6 O10 Rh2 S2 -","- C480 H600 F120 O200 Rh40 S40 -","20","2.5","DN2210","Govindaswamy, Padavattan; Süss-Fink, Georg; Therrien, Bruno","μ-Oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^:κ^2^<i>O</i>^1'^,<i>O</i>^2'^-bis[(η^5^-pentamethylcyclopentadienyl)(trifluoromethanesulfonato-κ<i>O</i>)rhodium(III)]","Acta Crystallographica Section E","2007","63","8","m2046","m2046","10.1107/S1600536807031790","","","0.71073","MoKα","","0.0751","0.0514","","","0.1287","0.1388","","","","","","0.921","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214626","6.8261","0.0008","13.9705","0.0016","16.7173","0.0019","90","","90","","90","","1594.2","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaqua(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato-\ κ^2^N^3^,O^4^)cobalt(II)","","- C12 H14 Co N4 O10 -","- C12 H14 Co N4 O10 -","- C48 H56 Co4 N16 O40 -","4","0.5","DN2222","Chong-Bo Liu; Xu-Liang Nie; Hui-Liang Wen","Diaquabis(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II)","Acta Crystallographica Section E","2007","63","8","m2244","m2244","10.1107/S1600536807036744","","","0.71073","MoKα","","0.037","0.028","","","0.0768","0.0839","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214642","18.113","0.005","16.14","0.009","12.146","0.008","90","","90","","90","","3551","3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-tert-Butyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indole","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C160 H176 N16 O16 S8 -","8","1","FL2137","Kishbaugh, Tara L. S.; Gribble, Gordon W.; Jasinski, Jerry P.","2-<i>tert</i>-Butyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-<i>b</i>]indole","Acta Crystallographica Section E","2007","63","8","o3409","o3409","10.1107/S1600536807032412","","","0.71069","MoKα","","0.193","0.0618","","","0.2041","0.283","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214712","15.191","0.0006","14.5509","0.0006","15.4249","0.0006","90","","90","","90","","3409.6","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(Z)-(<i>n</i>-Butylamino)(2-furyl)methylene]-3-methyl-1-phenyl- 1H-pyrazol-5(4H)-one","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C152 H168 N24 O16 -","8","1","HG2259","Heng-Qiang Zhang; Jin-Zhou Li; Yong Zhang; Dan Zhang; Zhan-Hua Su","4-[(<i>Z</i>)-(<i>n</i>-Butylamino)(2-furyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2007","63","8","o3536","o3536","10.1107/S1600536807034216","","","0.71073","MoKα","","0.1025","0.0468","","","0.1017","0.1282","","","","","","1.004","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214772","9.55","0.002","10.303","0.002","17.695","0.004","90","","90","","90","","1741.1","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-chloro-acetylbenzofuran","1-(1-Benzofuran-2-yl)-2-chloroethanone","","- C10 H7 Cl O2 -","- C10 H7 Cl O2 -","- C80 H56 Cl8 O16 -","8","1","KP2118","Anna Kozakiewicz; Andrzej Prewysz-Kwinto; Andrzej Wojtczak","1-(1-Benzofuran-2-yl)-2-chloroethanone","Acta Crystallographica Section E","2007","63","8","o3469","o3469","10.1107/S1600536807033351","","","0.71073","MoKα","","0.1595","0.0862","","","0.1392","0.1649","","","","","","1.238","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214775","10.09","0.002","7.8736","0.0017","18.379","0.004","90","","90","","90","","1460.1","0.5","294","2","294","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","p-dibenzylbenzene","1,4-dibenzylbenzene","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","0.5","LH2423","Ying-Jun Cui; Gang Li; Fen-Xia Ren; Zhong-Yu Duan; Wen-Jun Zhang","1,4-Dibenzylbenzene","Acta Crystallographica Section E","2007","63","8","o3393","o3393","10.1107/S1600536807031236","","","0.71073","MoKα","","0.0727","0.0402","","","0.0925","0.1093","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214803","13.3641","0.0005","11.4457","0.0004","8.5211","0.0003","90","","90","","90","","1303.4","0.08","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dipotassium hexafluoridozirconate(IV) hydrogen fluoride","","- F14 H2 K4 Zr2 -","- F14 H2 K4 Zr2 -","- F56 H8 K16 Zr8 -","4","0.5","MG2031","Gerasimenko, A. V.; Didenko, N. A.; Kavun, V. Ya.","Dipotassium hexafluoridozirconate(IV) hydrogen fluoride, K~2~ZrF~6~·HF","Acta Crystallographica Section E","2007","63","8","i171","i171","10.1107/S160053680703615X","","","0.71073","MoKα","","0.0342","0.0304","","","0.0699","0.0712","","","","","","1.21","","","","has coordinates,has Fobs","184482","2020-10-21","18:00:00",""
"2214820","14.4793","0.0002","8.052","0.0001","19.1935","0.0004","90","","90","","90","","2237.72","0.06","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,6-Dimethylbenzene-1,3-disulfonamide","","- C8 H12 N2 O4 S2 -","- C8 H12 N2 O4 S2 -","- C64 H96 N16 O32 S16 -","8","1","OM2140","B. Thimme Gowda; K. S. Babitha; Miroslav Tokarčík; Jozef Kožíšek; Hartmut Fuess","4,6-Dimethylbenzene-1,3-disulfonamide","Acta Crystallographica Section E","2007","63","8","o3361","o3361","10.1107/S1600536807031297","","","0.71073","MoKα","","0.0421","0.0322","","","0.096","0.0992","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214832","7.9501","0.0007","11.4298","0.0009","13.9491","0.0012","90","","90","","90","","1267.53","0.19","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Azobis(6-methyl-5-chloropyridine)","(E)-1,2-Bis(5-chloro-6-methylpyridin-2-yl)diazene","","- C12 H10 Cl2 N4 -","- C12 H10 Cl2 N4 -","- C48 H40 Cl8 N16 -","4","0.5","PV2018","Odabaşoğlu, Mustafa; Arslan, Figen; Ölmez, Halis; Büyükgüngör, Orhan","(<i>E</i>)-1,2-Bis(5-chloro-6-methylpyridin-2-yl)diazene","Acta Crystallographica Section E","2007","63","8","o3654","o3654","10.1107/S1600536807036793","","","0.71073","MoKα","","0.0626","0.0534","","","0.1648","0.1713","","","","","","1.088","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2214836","13.3013","0.0007","11.5852","0.0006","19.9867","0.001","90","","90","","90","","3079.9","0.3","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3a,6a-Dipropoxycarbonylglycoluril","dipropyl 2,5-dioxoperhydroimidazo[4,5-d]imidazole-3a,6a-dicarboxylate","","- C12 H18 N4 O6 -","- C12 H18 N4 O6 -","- C96 H144 N32 O48 -","8","1","RK2021","Wang, Yu-Zhou; Gao, Meng; Cao, Li-Ping","3a,6a-Dipropoxycarbonylglycoluril (dipropyl 2,5-dioxoperhydroimidazo[4,5-<i>d</i>]imidazole-3a,6a-dicarboxylate)","Acta Crystallographica Section E","2007","63","8","o3419","o3419","10.1107/S1600536807032485","","","0.71073","MoKα","","0.0726","0.0558","","","0.1418","0.1516","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214860","11.823","0.002","18.307","0.004","31.517","0.006","90","","90","","90","","6822","2","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(4,4'-bipyridinium) bis(μ~5~-hydrogen phosphate)pentakis(μ~2~-oxido)decaoxidopentamolybdate dihydrate","","- C20 H26 Mo5 N4 O25 P2 -","- C20 H26 Mo5 N4 O25 P2 -","- C160 H208 Mo40 N32 O200 P16 -","8","1","SI2017","Wu-Hua Chen; Yong Xiang; Zhan-Feng Chen; Qiu-Mu Wu; Qing-Xin Zeng","Bis(4,4'-bipyridinium) bis(μ~5~-hydrogen phosphate)pentakis(μ~2~-oxido)decaoxidopentamolybdate dihydrate","Acta Crystallographica Section E","2007","63","8","m2245","m2246","10.1107/S1600536807033119","","","0.71073","MoKα","","0.0256","0.0204","","","0.0493","0.0517","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214873","11.4637","0.0009","11.9265","0.0009","14.9016","0.0012","90","","90","","90","","2037.4","0.3","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","trans-Bis[2-(2-bromobenzamido)-1,3-oxazoline(1-)-κ^2^N^1^,O]copper(II)","","- C20 H16 Br2 Cu N4 O4 -","- C20 H16 Br2 Cu N4 O4 -","- C80 H64 Br8 Cu4 N16 O16 -","4","0.5","TK2176","Yu-Wei Chang; Jing-Jun Yang","<i>trans</i>-Bis[2-(2-bromobenzamido)-1,3-oxazoline(1{-})-κ^2^<i>N</i>^1^,<i>O</i>]copper(II)","Acta Crystallographica Section E","2007","63","8","m2126","m2126","10.1107/S1600536807033272","","","0.71073","MoKα","","0.059","0.046","","","0.102","0.105","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214898","14.303","0.001","6.4799","0.0007","25.113","0.002","90","","90","","90","","2327.5","0.4","299","2","299","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","p-Methoxyphenyl benzoate","4-Methoxyphenyl benzoate","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","1","WN2169","B. Thimme Gowda; Sabine Foro; Roopa Nayak; Hartmut Fuess","4-Methoxyphenyl benzoate","Acta Crystallographica Section E","2007","63","8","o3507","o3507","10.1107/S160053680703406X","","","1.5418","CuKα","","0.0374","0.0332","","","0.092","0.0954","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214941","9.9032","0.0007","12.0663","0.0008","23.984","0.002","90","","90","","90","","2866","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-methyl-4-hydroxy-4'-propylazobenzene","(<i>E</i>)-2-Methyl-4-[(4-propylphenyl)diazenyl]phenol","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C128 H144 N16 O8 -","8","1","AT2363","Albayrak, Çiğdem; Gümrükçüoğlu, İsmail Erdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","(<i>E</i>)-2-Methyl-4-[(4-propylphenyl)diazenyl]phenol","Acta Crystallographica Section E","2007","63","9","o3733","o3733","10.1107/S1600536807038561","","","0.71073","MoKα","","0.1162","0.0532","","","0.1507","0.1767","","","","","","0.908","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215020","5.9466","0.0005","9.8323","0.0008","41.559","0.003","90","","90","","90","","2429.9","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(2-chlorophenyl)benzamide","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C104 H72 Cl16 N8 O8 -","8","1","BT2470","B. Thimme Gowda; Sabine Foro; B. P. Sowmya; Hartmut Fuess","2-Chloro-<i>N</i>-(2-chlorophenyl)benzamide","Acta Crystallographica Section E","2007","63","9","o3789","o3789","10.1107/S1600536807039268","","","0.71073","MoKα","","0.0887","0.0777","","","0.1515","0.156","","","","","","1.287","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215037","9.7198","0.0009","12.139","0.001","21.499","0.002","90","","90","","90","","2536.6","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(3-Methoxyphenyl)-2-phenylethanone oxime","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","BX2102","H. N. Pati; B. K. Mishra; S. G. Hiriyanna; H. S. Yathirajan; R. S. Rathore","1-(3-Methoxyphenyl)-2-phenylethanone oxime","Acta Crystallographica Section E","2007","63","9","o3700","o3700","10.1107/S1600536807037361","","","0.71073","MoKα","","0.1188","0.0522","","","0.0958","0.1179","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215039","8.349","0.0017","9.476","0.0019","17.828","0.004","90","","90","","90","","1410.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]zinc(II)]","","- C10 H6 N12 Zn -","- C10 H6 N12 Zn -","- C40 H24 N48 Zn4 -","4","0.5","BX2105","Zhang, Xiu-Ling; Zhang, Cun-Lan; Qiu, Yu-E; An, Ning","Poly[bis[μ~2~-5-(pyrimidin-2-yl)tetrazolato]zinc(II)]","Acta Crystallographica Section E","2007","63","9","m2423","m2423","10.1107/S1600536807041414","","","0.71073","MoKα","","0.0976","0.0588","","","0.0731","0.0807","","","","","","1.19","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215061","8.9624","0.0012","12.5413","0.0016","15.881","0.002","90","","90","","90","","1785","0.4","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Hydroxy-3,5-dimethoxybenzonitrile","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","CI2440","Xiang-Wei Cheng","4-Hydroxy-3,5-dimethoxybenzonitrile at 125K","Acta Crystallographica Section E","2007","63","9","o3797","o3797","10.1107/S1600536807039256","","","0.71073","MoKα","","0.0592","0.0406","","","0.102","0.1128","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215066","11.402","0.002","7.9941","0.0016","24.039","0.005","90","","90","","90","","2191.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[(5-Methylfuran-2-yl)methylene]furan-2-carbohydrazide","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","1","CI2448","Yao, Xiao-Ling; Jing, Zuo-Liang","(<i>E</i>)-<i>N</i>'-[(5-Methylfuran-2-yl)methylene]furan-2-carbohydrazide","Acta Crystallographica Section E","2007","63","9","o3900","o3900","10.1107/S1600536807041323","","","0.71073","MoKα","","0.0601","0.0506","","","0.1202","0.1264","","","","","","1.116","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215076","9.763","0.003","9.278","0.003","20.586","0.005","90","","90","","90","","1864.7","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-Nitrophenyl)propionamide","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C72 H80 N16 O24 -","8","1","CV2289","Zhang, Hou-Ying; Guo, Ming-Lin; Guo, Chen-Hu; Ye, Ya-Nan","<i>N</i>-(4-Nitrophenyl)propionamide","Acta Crystallographica Section E","2007","63","9","o3903","o3903","10.1107/S1600536807041372","","","0.71073","MoKα","","0.09","0.0504","","","0.1232","0.1466","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215077","8.7936","0.0017","8.8609","0.0018","16.058","0.002","90","","90","","90","","1251.2","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-3,5-bis(1-hydroxyethyl)-4H-1,2,4-triazole","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C32 H64 N32 O16 -","8","1","CV2290","Kao-Zhen Li; Qing-Peng He; Rong-Shan Li; Da-Qi Wang; Ze-Hua Lu","4-Amino-3,5-bis(1-hydroxyethyl)-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2007","63","9","o3908","o3908","10.1107/S160053680704158X","","","0.71073","MoKα","","0.0537","0.0389","","","0.0897","0.106","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215079","10.2676","0.0008","9.733","0.0008","10.8624","0.0009","90","","90","","90","","1085.53","0.15","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[sodium [μ~4~-2-hydroxyphosphonoacetato(3-)]iron(II)]","","- C2 H2 Fe Na O6 P -","- C2 H2 Fe Na O6 P -","- C16 H16 Fe8 Na8 O48 P8 -","8","1","DN2221","Jing Li; Yan-Yu Zhu; Cui-Ying Huang; Zhen-Gang Sun; Da-Peng Dong","Poly[sodium [μ~4~-2-hydroxyphosphonoacetato(3{-})]iron(II)]","Acta Crystallographica Section E","2007","63","9","m2350","m2350","10.1107/S1600536807036598","","","0.71073","MoKα","","0.0242","0.0215","","","0.0548","0.0559","","","","","","1.068","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215099","5.2638","0.0004","13.6385","0.0008","20.4415","0.0011","90","","90","","90","","1467.5","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Bis(4-aminophenoxy)butane","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","0.5","GG2035","Naz, Touseef; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.","1,4-Bis(4-aminophenoxy)butane","Acta Crystallographica Section E","2007","63","9","o3777","o3777","10.1107/S1600536807039013","","","0.71073","MoKα","","0.0404","0.0364","","","0.0961","0.0991","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215103","8.3129","0.0003","14.34","0.003","12.869","0.004","90","","90","","90","","1534.1","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Adnan620","5-Hydrazino-1,3-dimethyl-4-nitro-1H-pyrazole","","- C5 H9 N5 O2 -","- C5 H9 N5 O2 -","- C40 H72 N40 O16 -","8","1","GG3110","Abu-Safieh, Kayed A.; Khanfer, Monther; Al-Far, Rawhi; Ali, Basem Fares; Maichle-Moessmer, C.; Abu-Rayyan, Ahmad","5-Hydrazino-1,3-dimethyl-4-nitro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2007","63","9","o3814","o3815","10.1107/S1600536807039517","","","0.71073","MoKα","","0.073","0.0415","","","0.1118","0.1271","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215108","13.9269","0.0013","15.399","0.002","22.133","0.004","90","","90","","90","","4746.7","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dioxido{1-[(phenyl)(2-pyridyl)methylene]-4-(<i>p</i>-\ tolyl)thiosemicarbazonato}vanadium(V) dimethyl sulfoxide solvate","","- C22 H23 N4 O3 S2 V -","- C22 H23 N4 O3 S2 V -","- C176 H184 N32 O24 S16 V8 -","8","1","GK2096","Mendes, Isolda C.; Speziali, Nivaldo L.; Beraldo, Heloisa","Dioxido{1-[(phenyl)(2-pyridyl)methylene]-4-(<i>p</i>-tolyl)thiosemicarbazonato}vanadium(V) dimethyl sulfoxide solvate","Acta Crystallographica Section E","2007","63","9","m2391","m2391","10.1107/S1600536807038275","","","0.71073","MoKα","","0.1095","0.0594","","","0.1355","0.1646","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215118","13.9688","0.0006","8.1164","0.0004","19.79","0.001","90","","90","","90","","2243.72","0.19","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,7,8-Trimethoxycoumarin","","- C12 H12 O5 -","- C12 H12 O5 -","- C96 H96 O40 -","8","1","HB2490","Nurdin, Saidi; Mukhtar, Mat Ropi; Awang, Khalijah; Hadi, A. Hamid A.; Ng, Seik Weng","6,7,8-Trimethoxycoumarin from <i>Cryptocarya bracteolata</i>","Acta Crystallographica Section E","2007","63","9","o3692","o3693","10.1107/S1600536807036914","","","0.71073","MoKα","","0.0616","0.0406","","","0.1066","0.1176","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215160","13.785","0.005","10.664","0.004","18.233","0.006","90","","90","","90","","2680.3","1.7","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2,2-Dimethylcyclopropylcarbonyl)-3-(2-pyridyl)thiourea","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C96 H120 N24 O8 S8 -","8","1","HK2302","Jing Wang; Li Tian; Shang-Yuan Liu","1-(2,2-Dimethylcyclopropylcarbonyl)-3-(2-pyridyl)thiourea","Acta Crystallographica Section E","2007","63","9","o3667","o3667","10.1107/S1600536807036690","","","0.71073","MoKα","","0.0559","0.0417","","","0.11","0.1209","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215254","13.6695","0.0009","8.7917","0.0005","14.987","0.0008","90","","90","","90","","1801.11","0.18","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(p-Tolyl)thioacetamide","","- C9 H11 N S -","- C9 H11 N S -","- C72 H88 N8 S8 -","8","1","RK2038","Śmiszek-Lindert, Wioleta; Nowak, Maria; Kusz, Joachim","<i>N</i>-(<i>p</i>-Tolyl)thioacetamide","Acta Crystallographica Section E","2007","63","9","o3917","o3917","10.1107/S1600536807041633","","","0.71073","MoKα","","0.0627","0.0359","","","0.1071","0.1134","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215259","9.0763","0.001","9.8053","0.0011","24.628","0.003","90","","90","","90","","2191.8","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-1H-benzimidazole","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","RT2008","Shi, Wen-Juan; Ruan, Cheng-Xiang","2-(4-Methylphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","9","o3688","o3688","10.1107/S1600536807037373","","","0.71073","MoKα","","0.0593","0.0516","","","0.1307","0.1351","","","","","","1.103","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215275","9.3879","0.0019","9.2952","0.0019","20.721","0.004","90","","90","","90","","1808.2","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-Bromophenyl)propionamide","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C72 H80 Br8 N8 O8 -","8","1","SJ2337","Guo, Chen-Hu; Guo, Ming-Lin; Zhang, Hou-Ying; Ye, Ya-Nan","<i>N</i>-(4-Bromophenyl)propionamide","Acta Crystallographica Section E","2007","63","9","o3884","o3884","10.1107/S1600536807040950","","","0.71073","MoKα","","0.0423","0.0357","","","0.0884","0.0925","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215284","8.6776","0.0009","9.7953","0.001","16.7592","0.0016","90","","90","","90","","1424.5","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-poly[[diaquanickel(II)]-μ-2-hydroxyphosphonatoacetato]","","- C2 H7 Ni O8 P -","- C2 H7 Ni O8 P -","- C16 H56 Ni8 O64 P8 -","8","1","WK2072","Jing Li; Da-Peng Dong; Cui-Ying Huang; Zhen-Gang Sun; Yan-Yu Zhu","<i>catena</i>-Poly[[diaquanickel(II)]-μ-2-hydroxyphosphonatoacetato]","Acta Crystallographica Section E","2007","63","9","m2348","m2349","10.1107/S160053680703869X","","","0.71073","MoKα","","0.0308","0.0252","","","0.0643","0.0679","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215301","11.638","0.002","15.667","0.003","17.016","0.003","90","","90","","90","","3102.6","1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(4-hydroxybenzylidene)-N'-(2-(4-hydroxybenzylideneamino)ethyl)ethane- 1,2-diamine","N-[2-(4-hydroxybenzylideneamino)ethyl]-N-[2-(4- oxidobenzylideneamino)ethyl]ammonium","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C144 H168 N24 O16 -","8","1","XU2286","Xiu-Mei Tian; Gang Liu; Yue Feng; Ji-De Wang","<i>N</i>-[2-(4-Hydroxybenzylideneamino)ethyl]-<i>N</i>-[2-(4-oxidobenzylideneamino)ethyl]ammonium","Acta Crystallographica Section E","2007","63","9","o3701","o3701","10.1107/S1600536807037397","","","0.71073","MoKα","","0.041","0.036","","","0.108","0.112","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215313","7.5559","0.001","12.3351","0.0015","36.597","0.004","90","","90","","90","","3410.9","0.7","296","2","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(4-Hexyloxyphenyl)iminomethyl]benzene-1,4-diol","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C152 H184 N8 O24 -","8","1","ZL2051","Herrera, Ana M.; Bernès, Sylvain; López, Delia","2-[(4-Hexyloxyphenyl)iminomethyl]benzene-1,4-diol","Acta Crystallographica Section E","2007","63","9","o3853","o3853","10.1107/S1600536807040408","","","0.71073","MoKα","","0.096","0.0515","","","0.1311","0.1582","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215321","12.648","0.003","12.647","0.003","21.915","0.004","90","","90","","90","","3505.5","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{1-[(2-Morpholin-4-ylethylimino-κ^2^N,N')methyl]naphthalen-2-olato-κO} (thiocyanato-N)nickel(II)","","- C18 H19 N3 Ni O2 S -","- C18 H19 N3 Ni O2 S -","- C144 H152 N24 Ni8 O16 S8 -","8","1","AT2382","Yun-Peng Diao; Yuan-Zhi Wang; Ming-Dong Wang; Kun Li","{1-[(2-Morpholin-4-ylethylimino-κ^2^<i>N</i>,<i>N</i>')methyl]naphthalen-2-olato-κ<i>O</i>}(thiocyanato-<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","10","m2494","m2494","10.1107/S1600536807043073","","","0.71073","MoKα","","0.0881","0.0631","","","0.1248","0.1348","","","","","","1.164","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215323","7.22","0.002","13.873","0.002","33.63","0.005","90","","90","","90","","3368.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Azido{1-[(2-diethylaminoethylimino-κ^2^N,N')methyl]\ naphthalen-2-olato-κO}nickel(II)","","- C17 H21 N5 Ni O -","- C17 H21 N5 Ni O -","- C136 H168 N40 Ni8 O8 -","8","1","AT2384","Yun-Peng Diao; Shan-Shan Huang; Bao-Jing Zhang; Kun Li","Azido{1-[(2-diethylaminoethylimino-κ^2^<i>N</i>,<i>N</i>')methyl]naphthalen-2-olato-κ<i>O</i>}nickel(II)","Acta Crystallographica Section E","2007","63","10","m2495","m2495","10.1107/S1600536807043103","","","0.71073","MoKα","","0.0854","0.0551","","","0.1363","0.1523","","","","","","1.029","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215347","12.807","0.006","7.803","0.004","24.734","0.011","90","","90","","90","","2472","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Bromo-<i>N</i>'-(2-thienylmethylene)benzohydrazide","","- C12 H9 Br N2 O S -","- C12 H9 Br N2 O S -","- C96 H72 Br8 N16 O8 S8 -","8","1","BG2091","Jing, Zuo-Liang; Yu, Ming; Chen, Xin","(<i>E</i>)-4-Bromo-<i>N</i>'-(2-thienylmethylene)benzohydrazide","Acta Crystallographica Section E","2007","63","10","o3925","o3925","10.1107/S1600536807042006","","","0.71073","MoKα","","0.0839","0.0474","","","0.1266","0.1478","","","","","","1.026","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215353","12.807","0.003","7.616","0.0015","34.43","0.007","90","","90","","90","","3358.2","1.2","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Bis(3-nitrophenyl)quinoxaline","","- C20 H12 N4 O4 -","- C20 H12 N4 O4 -","- C160 H96 N32 O32 -","8","1","BH2119","Lei, Peng; Hu, Zhi-Zhi; Wang, Cui-Ping; Chen, Xing; Zhang, Zhi-Qiang","2,3-Bis(3-nitrophenyl)quinoxaline","Acta Crystallographica Section E","2007","63","10","o3969","o3969","10.1107/S1600536807042055","","","0.71073","MoKα","","0.1298","0.0569","","","0.1491","0.1903","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215366","7.3563","0.0004","15.6735","0.0011","20.9978","0.0016","90","","90","","90","","2421","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>catena</i>-{[(μ-Tetramethylthiourea-<i>S</i>)Ag][(Ag(CN)~2~]}","Poly[di-μ~2~-cyanido-κ^2^C:N;κ^2^N:C-μ~2~-N,N,N',N'- tetramethylthiourea-κ^2^S:S-disilver(I)]","","- C7 H12 Ag2 N4 S -","- C7 H12 Ag2 N4 S -","- C56 H96 Ag16 N32 S8 -","8","1","BQ2035","Hanif, Muhammad; Ahmad, Saeed; Altaf, Muhammad; Stoeckli-Evans, Helen","Poly[bis(μ~2~-cyanido)-κ^2^<i>C</i>:<i>N</i>;κ^2^<i>N</i>:<i>C</i>-(μ~2~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylthiourea-κ^2^<i>S</i>:<i>S</i>)disilver(I)]","Acta Crystallographica Section E","2007","63","10","m2594","m2594","10.1107/S1600536807044844","","","0.71073","MoKα","","0.0422","0.0304","","","0.0655","0.0696","","","","","","1.074","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215370","8.805","0.0005","8.8051","0.0007","16.6614","0.0014","90","","90","","90","","1291.74","0.17","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-2,2'-bi-1H-imidazole)bis(μ~3~-hydrogenphosphato)dizinc(II)]","","- C6 H8 N4 O8 P2 Zn2 -","- C6 H8 N4 O8 P2 Zn2 -","- C24 H32 N16 O32 P8 Zn8 -","4","0.5","BT2492","Min-Na Cao; Min Wang; Fei-Hua Luo; Cui-Xia Cheng; Zong-Qiu Hu","Poly[(μ~2~-2,2'-bi-1<i>H</i>-imidazole)bis(μ~3~-hydrogenphosphato)dizinc(II)]","Acta Crystallographica Section E","2007","63","10","m2456","m2456","10.1107/S160053680704250X","","","0.71073","MoKα","","0.0358","0.0325","","","0.074","0.0756","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215444","19.477","0.003","12.1666","0.0019","23.97","0.004","90","","90","","90","","5680.1","1.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Dibenzoyl-1-phenyl-3,5-di-2-thienylcyclohexanol","","- C34 H28 O3 S2 -","- C34 H28 O3 S2 -","- C272 H224 O24 S16 -","8","1","CV2306","Xian-Qiang Huang; Jin-Xian Wang","2,4-Dibenzoyl-1-phenyl-3,5-di2-thienylcyclohexanol","Acta Crystallographica Section E","2007","63","10","o4168","o4168","10.1107/S1600536807046843","","","0.71073","MoKα","","0.1563","0.0772","","","0.2","0.2687","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215456","16.074","0.003","8.087","0.0016","19.333","0.004","90","","90","","90","","2513.1","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dichlorobenzylidene)-<i>N</i>'-phenylhydrazine","","- C13 H10 Cl2 N2 -","- C13 H10 Cl2 N2 -","- C104 H80 Cl16 N16 -","8","1","DN3063","Yin, Zhi-Gang; Qian, Heng-Yu; Chen, Yu-Zhen; Feng, Yu-Li","<i>N</i>-(2,4-Dichlorobenzylidene)-<i>N</i>'-phenylhydrazine","Acta Crystallographica Section E","2007","63","10","o4119","o4119","10.1107/S1600536807045552","","","0.71073","MoKα","","0.0668","0.0604","","","0.1286","0.1324","","","","","","1.218","","","","has coordinates,has Fobs","192349","2020-10-21","18:00:00",""
"2215614","11.19","0.0003","18.8378","0.0005","22.4202","0.0008","90","","90","","90","","4726.1","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-[tris(hydroxymethyl)methyliminomethyl]phenolato-κ3N,O,O'}nickel(II) methanol solvate","","- C23 H32 N2 Ni O9 -","- C23 H32 N2 Ni O9 -","- C184 H256 N16 Ni8 O72 -","8","1","NG2321","Qing-wei Wang; Xiu-mei Li; Xiu-yan Wang; Yue Zhang","Bis{2-[tris(hydroxymethyl)methyliminomethyl]phenolato-<i>{κ</i>}^3^<i>N</i>,<i>O</i>,<i>O</i>'}nickel(II) methanol solvate","Acta Crystallographica Section E","2007","63","10","m2537","m2537","10.1107/S160053680704384X","","","0.71073","MoKα","","0.1548","0.0395","","","0.0507","0.0627","","","","","","0.816","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215619","10.129","0.0003","7.229","0.0002","20.075","0.0007","90","","90","","90","","1469.94","0.08","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","rac-trans-cycloheptane-1,2-diol","<i>rac</i>-<i>trans</i>-Cycloheptane-1,2-diol","","- C7 H14 O2 -","- C7 H14 O2 -","- C56 H112 O16 -","8","1","NG2328","Betz, Richard; Klüfers, Peter","<i>rac</i>-<i>trans</i>-Cycloheptane-1,2-diol","Acta Crystallographica Section E","2007","63","10","o4129","o4129","10.1107/S1600536807045746","","","0.71073","MoKα","","0.0761","0.0421","","","0.1012","0.113","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215662","18.475","0.002","10.3014","0.0013","19.723","0.003","90","","90","","90","","3753.6","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(1H-Benzotriazol-1-yl)-1-(4-fluorobenzoyl)ethyl isonicotinate","","- C21 H15 F N4 O3 -","- C21 H15 F N4 O3 -","- C168 H120 F8 N32 O24 -","8","1","SJ2347","Jing Li; Wu-Lan Zeng; Ming-Hui Wang; Jun Wan","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(4-fluorobenzoyl)ethyl isonicotinate","Acta Crystallographica Section E","2007","63","10","o4177","o4177","10.1107/S1600536807042900","","","0.71073","MoKα","","0.127","0.0569","","","0.1232","0.1562","","","","","","0.936","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215673","14.069","0.003","15.312","0.003","16.036","0.003","90","","90","","90","","3454.5","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(hexamethylenetetramine-κN)bis(methanol)bis(thiocyanato-κN)nickel(II)","","- C10 H22 N6 Ni O3 S2 -","- C10 H22 N6 Ni O3 S2 -","- C80 H176 N48 Ni8 O24 S16 -","8","1","SJ2363","Bai, Yan; Shang, Wei-Li; Zhang, Fu-Lian; Pan, Xiao-Jing; Niu, Xiao-Fang","Aqua(hexamethylenetetramine-κ<i>N</i>)bis(methanol)bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","10","m2628","m2628","10.1107/S1600536807046648","","","0.71073","MoKα","","0.0448","0.0309","","","0.0711","0.0773","","","","","","1.015","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215674","20.0202","0.0004","18.916","0.0003","23.4108","0.0004","90","","90","","90","","8865.7","0.3","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4-Dimethylaminopyridinium tetrakis[3,3,3-trifluoro-1-(2-thienylcarbonyl)prop-1-en-2-olato]europate(III)","","- C39 H27 Eu F12 N2 O8 S4 -","- C39 H27 Eu F12.003 N2 O8 S4 -","- C312 H216 Eu8 F96.024 N16 O64 S32 -","8","1","TK2189","Wei, Xiu-Cheng; Bian, Yu-Kun; Yu, Kai-Bei; He, De-Yan","4-Dimethylaminopyridinium tetrakis[3,3,3-trifluoro-1-(2-thienylcarbonyl)prop-1-en-2-olato]europate(III)","Acta Crystallographica Section E","2007","63","10","m2566","m2566","10.1107/S1600536807045667","","","0.71073","MoKα","","0.034","0.032","","","0.084","0.085","","","","","","1","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215680","8.5825","0.0004","17.2754","0.0007","26.6505","0.0011","90","","90","","90","","3951.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triphenylphosphine oxide‒succinimide (1/1)","","- C22 H20 N O3 P -","- C22 H20 N O3 P -","- C176 H160 N8 O24 P8 -","8","1","TK2197","Harrison, William T. A.","Triphenylphosphine oxide‒succinimide (1/1)","Acta Crystallographica Section E","2007","63","10","o4182","o4182","10.1107/S1600536807047356","","","0.71073","MoKα","","0.081","0.044","","","0.109","0.121","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215715","14.4046","0.0008","14.7669","0.0007","24.3537","0.0013","90","","90","","90","","5180.3","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(acetonitrile-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)(pyrimidine- κ<i>N</i>)rhodium(III) bis(hexafluoridophosphate)","","- C18 H25 F12 N4 P2 Rh -","- C18 H25 F12 N4 P2 Rh -","- C144 H200 F96 N32 P16 Rh8 -","8","1","ZL2063","Boyer, Julie L.; Wilson, Scott R.; Rauchfuss, Thomas B.","Bis(acetonitrile-κ<i>N</i>)(η^5^-pentamethylcyclopentadienyl)(pyrimidine-κ<i>N</i>)rhodium(III) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2007","63","10","m2574","m2574","10.1107/S1600536807044716","","","0.71073","MoKα","","0.0459","0.0367","","","0.0932","0.0998","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215766","19.1098","0.0015","16.1767","0.0013","38.158","0.003","90","","90","","90","","11795.9","1.6","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(hexafluoridophosphate) monohydrate","","- C52 H62 F12 Mn N8 O3 P2 -","- C52 H62 F12 Mn N8 O3 P2 -","- C416 H496 F96 Mn8 N64 O24 P16 -","8","1","BH2123","Zheng, Xianfu; Niu, Caoyuan; Wan, Xinsheng; Kou, Chunhong","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(hexafluoridophosphate) monohydrate","Acta Crystallographica Section E","2007","63","11","m2682","m2683","10.1107/S1600536807048209","","","0.71073","MoKα","","0.0806","0.0462","","","0.1119","0.1354","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215822","18.701","0.003","9.418","0.0016","19.356","0.003","90","","90","","90","","3409.1","1","294","2","294","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-(2-Bromophenyl)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)- 2,2-dimethylcyclopropanecarboxamide","","- C15 H14 Br Cl F3 N O -","- C15 H14 Br Cl F3 N O -","- C120 H112 Br8 Cl8 F24 N8 O8 -","8","1","BV2066","Liu, Dong-Qing; Yan, Fan-Yong","(<i>E</i>)-<i>N</i>-(2-Bromophenyl)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxamide","Acta Crystallographica Section E","2007","63","11","o4202","o4202","10.1107/S1600536807045916","","","0.71073","MoKα","","0.1308","0.0545","","","0.1437","0.2045","","","","","","1.038","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215833","6.601","0.0001","13.8353","0.0002","37.7572","0.0006","90","","90","","90","","3448.24","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzodiazepine","2,4,4-Trimethyl-N-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C152 H184 N24 O8 -","8","1","CF2151","Thiruvalluvar, A; Ponnuswamy, S","2,4,4-Trimethyl-<i>N</i>-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepine-1-carboxamide","Acta Crystallographica Section E","2007","63","11","o4264","o4264","10.1107/S1600536807048519","","","0.71073","MoKα","","0.0715","0.0451","","","0.1035","0.1158","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215837","14.638","0.002","10.77","0.001","26.09","0.003","90","","90","","90","","4113.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[N,N'-Bis(4-chlorobenzyl)propane-1,2-diamine]dichloridozinc(II)","","- C17 H20 Cl4 N2 Zn -","- C17 H20 Cl4 N2 Zn -","- C136 H160 Cl32 N16 Zn8 -","8","1","CF2157","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","[<i>N</i>,<i>N</i>'-Bis(4-chlorobenzyl)propane-1,2-diamine]dichloridozinc(II)","Acta Crystallographica Section E","2007","63","11","m2763","m2763","10.1107/S1600536807050866","","","0.71073","MoKα","","0.2121","0.115","","","0.1837","0.217","","","","","","1.286","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215862","8.762","0.003","15.297","0.005","17.247","0.005","90","","90","","90","","2311.7","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II)","","- C24 H34 N4 Ni O4 -","- C24 H34 N4 Ni O4 -","- C96 H136 N16 Ni4 O16 -","4","0.5","CV2312","Chun-Bao Tang","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II)","Acta Crystallographica Section E","2007","63","11","m2654","m2654","10.1107/S1600536807048155","","","0.71073","MoKα","","0.0709","0.0347","","","0.0766","0.0946","","","","","","1.023","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215876","18.7173","0.0011","14.7968","0.0008","23.1967","0.0018","90","","90","","90","","6424.5","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-Di-μ-chlorido-[μ-<i>N</i>,<i>N</i>'-{[3,3'-methylenebis(2,4,6-trimethyl- 3,1-phenylene)]dimethylene}bis(2-methylpropan-2- amine)]bis[chloridopalladium(II)]","","- C29 H46 Cl4 N2 Pd2 -","- C29 H46 Cl4 N2 Pd2 -","- C232 H368 Cl32 N16 Pd16 -","8","1","DN2236","Chahen, Ludovic; Therrien, Bruno; Süss-Fink, Georg","(±)-Di-μ-chlorido-(μ-<i>N</i>,<i>N</i>'-{[3,3'-methylenebis(2,4,6-trimethyl-3,1-phenylene)]dimethylene}bis(2-methylpropan-2-amine))bis[chloridopalladium(II)]","Acta Crystallographica Section E","2007","63","11","m2687","m2687","10.1107/S1600536807047745","","","0.71073","MoKα","","0.0575","0.0407","","","0.0982","0.1054","","","","","","0.922","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215882","12.907","0.003","7.469","0.002","18.52","0.004","90","","90","","90","","1785.4","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine","","- C7 H5 Cl F3 N O -","- C7 H5 Cl F3 N O -","- C56 H40 Cl8 F24 N8 O8 -","8","1","DN2242","Wang, Pin-Liang; Zeng, Hai-Su; Kang, Si-Shun; Wang, Hai-Bo","2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine","Acta Crystallographica Section E","2007","63","11","o4355","o4355","10.1107/S1600536807050337","","","0.71073","MoKα","","0.1669","0.0795","","","0.182","0.2369","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215898","24.5585","0.0011","18.5726","0.0008","25.2655","0.0011","90","","90","","90","","11524","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-phenylimido-bis-N',N""-diphenylphosphoramide","(<i>N</i>-Phenylimino)bis[phosphonic bis(diphenylamide)]","","- C30 H29 N5 O2 P2 -","- C30 H29 N5 O2 P2 -","- C480 H464 N80 O32 P32 -","16","2","FI2046","Chartrand, Daniel; Hanan, Garry S.","(<i>N</i>-Phenylimino)bis[phosphonic bis(diphenylamide)]","Acta Crystallographica Section E","2007","63","11","o4428","o4428","10.1107/S1600536807048520","","","1.54178","CuKα","","0.063","0.039","","","0.0857","0.0893","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215922","14.0662","0.0006","8.739","0.0004","24.6881","0.0011","90","","90","","90","","3034.8","0.2","130","2","130","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Bis(1-naphthyl) telluride","","- C20 H14 Te -","- C20 H14 Te -","- C160 H112 Te8 -","8","1","GW2027","Chauhan, Ashok K. S.; Anamika; Srivastava, Ramesh C.; Duthie, Andrew","Bis(1-naphthyl) telluride","Acta Crystallographica Section E","2007","63","11","o4386","o4386","10.1107/S160053680705091X","","","0.71073","MoKα","","0.0315","0.0279","","","0.0709","0.0729","","","","","","1.063","","","","has coordinates,has Fobs","192350","2020-10-21","18:00:00",""
"2215949","13.759","0.003","14.334","0.003","26.195","0.006","90","","90","","90","","5166","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,4-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoromethanesulfonate)","","- C22 H26 F6 N2 O6 S2 -","- C22 H26 F6 N2 O6 S2 -","- C176 H208 F48 N16 O48 S16 -","8","1","HB2583","Chen, Chungang; Zhang, Yan","1,4-Dibenzyl-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2007","63","11","o4464","o4464","10.1107/S1600536807052063","","","0.71073","MoKα","","0.1772","0.0592","","","0.1246","0.173","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215995","10.1367","0.0007","22.519","0.002","10.8253","0.0008","90","","90","","90","","2471.1","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(6-Methyl-2-pyridylamino)isobenzofuran-1(3H)-one","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","HK2338","Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan","3-(6-Methyl-2-pyridylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2007","63","11","o4348","o4348","10.1107/S1600536807049677","","","0.71073","MoKα","","0.0868","0.0372","","","0.0811","0.0948","","","","","","0.891","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216064","8.61","0.005","9.871","0.006","18.892","0.012","90","","90","","90","","1605.6","1.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]","","- C2 H9 Cu O9 P -","- C2 H9 Cu O9 P -","- C16 H72 Cu8 O72 P8 -","8","1","NC2059","Jing Li; Dapeng Dong; Yanyu Zhu; Zhengang Sun; Hui Chen","<i>catena</i>-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]","Acta Crystallographica Section E","2007","63","11","m2646","m2647","10.1107/S1600536807047332","","","0.71073","MoKα","","0.0639","0.0348","","","0.0724","0.0839","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216068","16.585","0.006","11.584","0.006","7.391","0.003","90","","90","","90","","1420","1.1","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>trans</i>-1,4-Diphenyl-1,4-diphosphacyclohexane","","- C16 H18 P2 -","- C16 H18 P2 -","- C64 H72 P8 -","4","0.5","NG2331","Michael L. Williams; Samuel P.C. Dunstan; Peter C. Healy","<i>trans</i>-1,4-Diphenyl-1,4-diphosphacyclohexane","Acta Crystallographica Section E","2007","63","11","o4258","o4258","10.1107/S1600536807048507","","","0.71069","MoKα","","0.0718","0.0424","","","0.1163","0.1324","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216081","15.146","0.003","9.146","0.0018","26.18","0.005","90","","90","","90","","3626.6","1.2","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","r-2,c-6-Bis(4-bromophenyl)-t-3,t-5-dimethyltetrahydropyran-4-one","","- C19 H18 Br2 O2 -","- C19 H18 Br2 O2 -","- C152 H144 Br16 O16 -","8","1","OM2166","P. Parthiban; S. Umamatheswari; Adinarayana Doddi; V. Ramkumar; S. Kabilan","<i>r</i>-2,<i>c</i>-6-Bis(4-bromophenyl)-<i>t</i>-3,<i>t</i>-5-dimethyltetrahydropyran-4-one","Acta Crystallographica Section E","2007","63","11","o4373","o4373","10.1107/S1600536807050660","","","0.71073","MoKα","","0.096","0.0436","","","0.078","0.0939","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216092","14.2816","0.0004","8.3056","0.0002","25.0612","0.0007","90","","90","","90","","2972.69","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1E,4E)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one","","- C17 H12 Cl2 O -","- C17 H12 Cl2 O -","- C136 H96 Cl16 O8 -","8","1","PV2035","M. NizamMohideen; S. Thenmozhi; A. SubbiahPandi; Ramalingam Murugan; S. Sriman Narayanan","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2007","63","11","o4379","o4379","10.1107/S1600536807050696","","","0.71073","MoKα","","0.1037","0.0494","","","0.1314","0.1638","","","","","","0.998","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216107","8.6384","0.0018","17.701","0.004","20.619","0.004","90","","90","","90","","3152.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-(2-carboxylatoethyl)phosphonato]bis[aqua(2,2'-bipyridine)cobalt(II)]","","- C26 H30 Co2 N4 O12 P2 -","- C26 H30 Co2 N4 O12 P2 -","- C104 H120 Co8 N16 O48 P8 -","4","0.5","RZ2168","Shao-Ming Ying; Yun Chen; Jun-Yue Lin; Guang-Pei Zhou; Jian-Hong Wu","Bis[μ-(2-carboxylatoethyl)phosphonato]bis[aqua(2,2'-bipyridine)cobalt(II)]","Acta Crystallographica Section E","2007","63","11","m2862","m2862","10.1107/S1600536807052592","","","0.71073","MoKα","","0.0521","0.0289","","","0.0668","0.0696","","","","","","0.781","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216184","7.5865","0.0009","19.9375","0.0015","20.4751","0.0019","90","","90","","90","","3097","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Fluoro-2,4,5-triphenylfuran","3-Fluoro-2,4,5-triphenylfuran","","- C22 H15 F O -","- C22 H15 F O -","- C176 H120 F8 O8 -","8","1","ZL2071","Jacobsen, Jesse M.; Arimitsu, Satoru; Hammond, Gerald B.; Mashuta, Mark S.","3-Fluoro-2,4,5-triphenylfuran","Acta Crystallographica Section E","2007","63","11","o4337","o4337","10.1107/S1600536807049902","","","0.71073","MoKα","","0.048","0.0447","","","0.1164","0.119","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216198","13.2344","0.0008","11.0471","0.0008","16.1466","0.0009","90","","90","","90","","2360.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2E)-3-(5-Bromo-2-thienyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C13 H9 Br O2 S -","- C13 H9 Br O2 S -","- C104 H72 Br8 O16 S8 -","8","1","AT2456","Narayana, B.; Lakshmana, K.; Sarojini, B. K.; Yathirajan, H. S.; Bolte, Michael","(2<i>E</i>)-3-(5-Bromo-2-thienyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","12","o4552","o4552","10.1107/S1600536807054359","","","0.71073","MoKα","","0.0368","0.0306","","","0.0636","0.0658","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216213","16.059","0.002","10.631","0.0016","20.69","0.003","90","","90","","90","","3532.3","0.9","292","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-[(Z)-4-isobutyl-5-oxo-2-(phenylimino)imidazolidin-1-yl]acetate","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C136 H184 N24 O24 -","8","1","AT2473","Yong Sun; Hong-Xia Li; Ping He; Gui-hua Li","Ethyl 2-[(<i>Z</i>)-4-isobutyl-5-oxo-2-(phenylimino)imidazolidin-1-yl]acetate","Acta Crystallographica Section E","2007","63","12","o4768","o4768","10.1107/S1600536807058473","","","0.71073","MoKα","","0.1013","0.0691","","","0.179","0.1952","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216247","9.348","0.002","12.361","0.003","23.184","0.006","90","","90","","90","","2678.9","1.1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2-Pyridylsulfanyl)-<i>N</i>-<i>p</i>-tolylacetamide","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C112 H112 N16 O8 S8 -","8","1","BG2139","Yan Gao; Dong Liang; Li-Xing Gao; Guang-Jun Fang; Wei Wang","2-(2-Pyridylsulfanyl)-<i>N</i>-<i>p</i>-tolylacetamide","Acta Crystallographica Section E","2007","63","12","o4854","o4854","10.1107/S160053680706045X","","","0.71073","MoKα","","0.0823","0.045","","","0.1056","0.1299","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216280","14.2014","0.0004","7.0513","0.0001","22.11","0.0005","90","","90","","90","","2214.06","0.09","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)-μ~6~-succinato-dilanthanum(III)]","","- C10 H6 La O6 -","- C10 H6 La O6 -","- C80 H48 La8 O48 -","8","1","BT2565","Qin He; Bao-Jun Huang","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)-μ~6~-succinato-dilanthanum(III)]","Acta Crystallographica Section E","2007","63","12","m2879","m2879","10.1107/S1600536807053123","","","0.71073","MoKα","","0.0292","0.0209","","","0.0493","0.0508","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216282","7.217","0.0009","6.3101","0.0008","57.061","0.007","90","","90","","90","","2598.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methoxy-N-(3-phenylallylidene)aniline","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","1","BT2567","Ying Li; Xiao-Lian He; Xiao-Yan Yang","4-Methoxy-<i>N</i>-(3-phenylallylidene)aniline","Acta Crystallographica Section E","2007","63","12","o4546","o4546","10.1107/S1600536807054542","","","0.71073","MoKα","","0.0587","0.0514","","","0.1458","0.1517","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216315","7.1951","0.0006","11.4501","0.0007","40.252","0.002","90","","90","","90","","3316.1","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-2-Methyl-4-[(4-nitrophenyl)diazenyl]phenol dimethylformamide solvate","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C128 H144 N32 O32 -","8","1","BT2612","Koşar, Başak; Albayrak,Çigdem; Gümrükçüoglu, \?Ismail; Büyükgüngör, Orhan","(<i>E</i>)-2-Methyl-4-[(4-nitrophenyl)diazenyl]phenol dimethylformamide solvate","Acta Crystallographica Section E","2007","63","12","o4772","o4772","10.1107/S1600536807059454","","","0.71073","MoKα","","0.1358","0.0518","","","0.114","0.1425","","","","","","0.839","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216353","18.295","0.006","10.851","0.004","28.097","0.009","90","","90","","90","","5578","3","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-(4-Chlorophenyl)-2-(2,4-dichlorophenoxy)-5-methyl-8,9,10,11-tetrahydro- 2-benzothieno[2',3':2,3]pyrido[4,5-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","","- C27 H20 Cl5 N3 O2 S -","- C27 H20 Cl5 N3 O2 S -","- C216 H160 Cl40 N24 O16 S8 -","8","1","CI2481","Liu, Jian-Chao","3-(4-Chlorophenyl)-2-(2,4-dichlorophenoxy)-5-methyl-8,9,10,11-tetrahydro-2-benzothieno[2',3':2,3]pyrido[4,5-<i>d</i>]pyrimidin-4(3<i>H</i>)-one dichloromethane solvate","Acta Crystallographica Section E","2007","63","12","o4571","o4571","10.1107/S1600536807054013","","","0.71073","MoKα","","0.1283","0.0777","","","0.2078","0.2342","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216406","10.8041","0.0009","10.0189","0.0009","36.119","0.003","90","","90","","90","","3909.7","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(+/-)-3-(2,6-Dichlorophenyl)-1-phenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-\ <i>e</i>][1,3]oxazine","","- C24 H17 Cl2 N O -","- C24 H17 Cl2 N O -","- C192 H136 Cl16 N8 O8 -","8","1","DN2255","Yin, Zhi-Gang; Qian, Heng-Yu; Chen Yu-Zhen; Feng Yu-Li","(±)-3-(2,6-Dichlorophenyl)-1-phenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine","Acta Crystallographica Section E","2007","63","12","o4626","o4626","10.1107/S1600536807055432","","","0.71073","MoKα","","0.0859","0.0503","","","0.1315","0.1512","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216407","14.2225","0.0008","8.2788","0.0005","14.7043","0.0008","90","","90","","90","","1731.36","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","iron(II) monohydrate]","","- C4 H10 Fe O8 -","- C4 H10 Fe O8 -","- C32 H80 Fe8 O64 -","8","1","DN2256","Licai Zhu; Feng Sun","Poly[[diaqua-μ~3~-malonato-iron(II)] monohydrate]","Acta Crystallographica Section E","2007","63","12","m2966","m2966","10.1107/S1600536807055377","","","0.71073","MoKα","","0.033","0.0283","","","0.0787","0.0827","","","","","","1.104","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216432","12.4146","0.0002","15.3531","0.0002","30.3448","0.0005","90","","90","","90","","5783.8","0.15","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ReO(oxalate)2(PPh3)","Triethylammonium bis(oxalato)oxido(triphenylphosphane)rhenate(V)","","- C28 H31 N O9 P Re -","- C28 H31 N O9 P Re -","- C224 H248 N8 O72 P8 Re8 -","8","1","EZ2113","Grimminger, Philipp; Klüfers, Peter","Triethylammonium bis(oxalato)oxido(triphenylphosphane)rhenate(V)","Acta Crystallographica Section E","2007","63","12","m3188","m3188","10.1107/S1600536807061879","","","0.71073","MoKα","","0.0806","0.0334","","","0.0657","0.079","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216580","14.8048","0.0012","6.8674","0.0006","15.1623","0.0012","90","","90","","90","","1541.6","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis[5-(1<i>H</i>-tetrazol-5-ylamino-κN^4^)tetrazolato- κ<i>N</i>^1^]manganese(II) dihydrate","","- C4 H12 Mn N18 O4 -","- C4 H12 Mn N18 O4 -","- C16 H48 Mn4 N72 O16 -","4","0.5","HY2096","Lin, Jiao-Min; Guan, Yang-Fan; Dong, Wen","Diaquabis[5-(1<i>H</i>-tetrazol-5-ylamino-κ<i>N</i>^4^)tetrazolato-κ<i>N</i>^1^]manganese(II) dihydrate","Acta Crystallographica Section E","2007","63","12","m3017","m3017","10.1107/S1600536807057091","","","0.71073","MoKα","","0.0901","0.0516","","","0.1249","0.1449","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216599","11.667","0.002","15.686","0.003","24.594","0.005","90","","90","","90","","4500.9","1.5","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 1-(2,6-difluorobenzyl)-4-(4,6-dimethoxypyrimidin-2-yl)-2-oxo- 1,2-dihydroquinoline-3-carboxylate","","- C25 H21 F2 N3 O5 -","- C25 H21 F2 N3 O5 -","- C200 H168 F16 N24 O40 -","8","1","IS2246","Yuan-Xiang Li; Di-Zhao Chen; Xiao-Juan Gong","Ethyl 1-(2,6-difluorobenzyl)-4-(4,6-dimethoxypyrimidin-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2007","63","12","o4855","o4855","10.1107/S1600536807060345","","","0.71073","MoKα","","0.0699","0.0532","","","0.1305","0.1402","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2216664","13.9501","0.0003","6.8696","0.0001","21.8409","0.0004","90","","90","","90","","2093.05","0.07","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-dieuropium(III)]","","- C10 H6 Eu O6 -","- C10 H6 Eu O6 -","- C80 H48 Eu8 O48 -","8","1","NC2067","Qin He; Bao-Jun Huang","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-dieuropium(III)]","Acta Crystallographica Section E","2007","63","12","m2922","m2922","10.1107/S1600536807054414","","","0.71073","MoKα","","0.0207","0.0159","","","0.0389","0.0397","","","","","","1.104","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216678","17.8591","0.0013","15.4533","0.0011","19.5649","0.0014","90","","90","","90","","5399.6","0.7","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 2,6-bis(3-methylphenyl)-4,8-dioxo-2,6,3a,4a,7a,8a- hexaazaperhydrocyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","","- C28 H32 N6 O6 -","- C28 H32 N6 O6 -","- C224 H256 N48 O48 -","8","1","NG2358","Guo-Dong Yin; Zi-Hua Wang; Jing Qin","Diethyl 2,6-bis(3-methylphenyl)-4,8-dioxo-2,6,3a,4a,7a,8a-hexaazaperhydrocyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2007","63","12","o4577","o4577","10.1107/S1600536807054803","","","0.71073","MoKα","","0.0795","0.0573","","","0.124","0.1362","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2216681","7.4564","0.0015","11.172","0.002","19.633","0.004","90","","90","","90","","1635.5","0.6","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1,3-Dioxolan-2-yl)phenol","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","NG2361","Kretz, Tonia; Lerner, Hans-Wolfram; Bolte, Michael","2-(1,3-Dioxolan-2-yl)phenol","Acta Crystallographica Section E","2007","63","12","o4684","o4684","10.1107/S1600536807056103","","","0.71073","MoKα","","0.1105","0.0489","","","0.0798","0.0932","","","","","","0.855","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216689","9.875","0.001","12.3662","0.0012","21.7093","0.0019","90","","90","","90","","2651.1","0.4","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis-1,1'-cycloheptyl-1,1'-diol","Bi-1,1'-cycloheptane-1,1'-diol","","- C14 H26 O2 -","- C14 H26 O2 -","- C112 H208 O16 -","8","1","NG2371","Betz, Richard; Klüfers, Peter","Bi-1,1'-cycloheptane-1,1'-diol","Acta Crystallographica Section E","2007","63","12","o4752","o4752","10.1107/S1600536807058345","","","0.71073","MoKα","","0.0661","0.0518","","","0.1174","0.1271","","","","","","1.159","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216711","10.868","0.002","8.047","0.0016","29.209","0.006","90","","90","","90","","2554.5","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-N'-(4-hydroxybenzylidene)nicotinohydrazide","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C104 H80 Br8 N24 O16 -","8","1","OM2183","Chun-Bao Tang","5-Bromo-<i>N</i>'-(4-hydroxybenzylidene)nicotinohydrazide","Acta Crystallographica Section E","2007","63","12","o4841","o4841","10.1107/S1600536807060552","","","0.71073","MoKα","","0.0562","0.0384","","","0.0851","0.0934","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216713","14.101","0.004","10.369","0.003","23.627","0.006","90","","90","","90","","3454.6","1.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dinitrate dihydrate","","- C26 H48 N6 Ni O14 -","- C26 H48 N6 Ni O14 -","- C104 H192 N24 Ni4 O56 -","4","0.5","PK2060","Ying-Zhen Wang; Lan-Lan Li; Yong-Qing Su; Cong Li","Diaquabis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dinitrate dihydrate","Acta Crystallographica Section E","2007","63","12","m2945","m2946","10.1107/S1600536807055092","","","0.71073","MoKα","","0.0572","0.0401","","","0.0971","0.1075","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216742","8.5905","0.0009","14.8361","0.0016","20.905","0.002","90","","90","","90","","2664.3","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","catena-Poly[[[5-(2-pyridyl)tetrazolato-κ^2^N^1^,N^5^]copper(II)]-μ- 5-(2-pyridyl)tetrazolato-κ^2^N^1^,N^5^:N^3^]","","- C12 H8 Cu N10 -","- C12 H8 Cu N10 -","- C96 H64 Cu8 N80 -","8","1","RZ2170","Qiu, Yu-E; Jin, Mei-Fang; Zhang, Xiu-Ling","<i>catena</i>-Poly[[[5-(2-pyridyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)]-μ-5-(2-pyridyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^3^]","Acta Crystallographica Section E","2007","63","12","m2894","m2894","10.1107/S1600536807053597","","","0.71073","MoKα","","0.0343","0.0249","","","0.0609","0.0662","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216757","13.9896","0.0002","6.8923","0.0001","21.8748","0.0003","90","","90","","90","","2109.18","0.05","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-disamarium(III)]","","- C20 H12 O12 Sm2 -","- C20 H12 O12 Sm2 -","- C80 H48 O48 Sm8 -","4","0.5","SI2044","Qin He; Bao-Jun Huang","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-disamarium(III)]","Acta Crystallographica Section E","2007","63","12","m2923","m2923","10.1107/S1600536807055006","","","0.71073","MoKα","","0.0303","0.0209","","","0.0438","0.0465","","","","","","1.026","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216825","15.364","0.001","17.006","0.001","18.908","0.001","90","","90","","90","","4940.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-[2-(Dibenzylaminomethyl)-1H-benzimidazol-1-ylmethyl]benzonitrile","","- C30 H26 N4 -","- C30 H26 N4 -","- C240 H208 N32 -","8","1","WN2213","Guang-Ju Ping; Ying-Ying Liu; Ting-Ting Han; Jian-Fang Ma","4-[2-(Dibenzylaminomethyl)-1<i>H</i>-benzimidazol-1-ylmethyl]benzonitrile","Acta Crystallographica Section E","2007","63","12","o4508","o4508","10.1107/S1600536807053573","","","0.71069","MoKα","","0.0666","0.0401","","","0.1025","0.1197","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216832","11.752","0.004","8.172","0.005","23.524","0.003","90","","90","","90","","2259.2","1.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[(1-Carboxycyclohexyl)(carboxymethyl)ammonio]acetate","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C88 H136 N8 O48 -","8","1","XU2345","Sheng-Dong Zhang; Jian-Xin Li; Quan-Liang Zhang; Wen-Juan Duan; Xi-Guang Du","[(1-Carboxycyclohexyl)(carboxymethyl)ammonio]acetate","Acta Crystallographica Section E","2007","63","12","o4794","o4794","10.1107/S1600536807057807","","","0.71069","MoKα","","0.0657","0.0454","","","0.1198","0.1279","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216881","12.513","0.003","9.519","0.0019","26.844","0.005","90","","90","","90","","3197.4","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(1<i>S</i>,3S)-3-Acetyl-2,2-dimethylcyclobutyl]-<i>N</i>-(<i>m</i>- tolyl)acetamide","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","1","AT2522","Yan-Bai Yin; Zhan-Qian Song; Zong-De Wang; Shi-Bin Shang","2-[(1<i>S</i>,3<i>S</i>)-3-Acetyl-2,2-dimethylcyclobutyl]-<i>N</i>-(<i>m</i>-tolyl)acetamide","Acta Crystallographica Section E","2008","64","1","o291","o291","10.1107/S160053680706641X","","","0.71073","MoKα","","0.1536","0.0732","","","0.1425","0.1701","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216900","7.5881","0.0016","8.2061","0.0018","22.873","0.005","90","","90","","90","","1424.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,4'-Bis(prop-2-ynyloxy)biphenyl","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","0.5","BH2156","Wu Zhang; Li Yao; Ruo-Jie Tao","4,4'-Bis(prop-2-ynyloxy)biphenyl","Acta Crystallographica Section E","2008","64","1","o307","o307","10.1107/S160053680706638X","","","0.71073","MoKα","","0.0732","0.051","","","0.1082","0.1158","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216912","13.354","0.003","14.133","0.003","15.077","0.003","90","","90","","90","","2845.5","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Dihydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C144 H112 N16 O32 -","8","1","BI2266","Yun-Peng Diao; Yu-Hong Zhen; Xu Han; Sa Deng","3,5-Dihydroxy-<i>N</i>'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide","Acta Crystallographica Section E","2008","64","1","o101","o101","10.1107/S1600536807062861","","","0.71073","MoKα","","0.0467","0.0378","","","0.1021","0.1104","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216918","12.25","0.003","10.876","0.002","24.845","0.005","90","","90","","90","","3310.1","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrophenyl N-(2-isopropylthiazol-4-ylmethyl)-N-methylcarbamate","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C120 H136 N24 O32 S8 -","8","1","BQ2046","Xu, Hao; Wang, Peng; Huang, Wen-long","4-Nitrophenyl <i>N</i>-(2-isopropylthiazol-4-ylmethyl)-<i>N</i>-methylcarbamate","Acta Crystallographica Section E","2008","64","1","o149","o149","10.1107/S1600536807063532","","","0.71073","MoKα","","0.1961","0.0859","","","0.1689","0.2173","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216936","9.1117","0.0003","9.8336","0.0002","26.0616","0.001","90","","90","","90","","2335.14","0.13","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methylphenyl)benzamide","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","BT2632","B. Thimme Gowda; Miroslav Tokarčík; Jozef Kožíšek; B. P. Sowmya","<i>N</i>-(4-Methylphenyl)benzamide","Acta Crystallographica Section E","2008","64","1","o83","o83","10.1107/S1600536807061557","","","0.71073","MoKα","","0.1052","0.0348","","","0.0752","0.0839","","","","","","0.815","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216952","12.0524","0.0002","8.7395","0.0001","21.1893","0.0003","90","","90","","90","","2231.91","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Indole-3-thiouronium nitrate","","- C9 H10 N4 O3 S -","- C9 H10 N4 O3 S -","- C72 H80 N32 O24 S8 -","8","1","BT2657","Lutz, Martin; Spek, Anthony L.; van der Geer, Erwin P. L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Indole-3-thiouronium nitrate","Acta Crystallographica Section E","2008","64","1","o194","o194","10.1107/S1600536807064707","","","0.71073","MoKα","","0.0427","0.0321","","","0.0831","0.0893","","","","","","1.041","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216982","12.6542","0.0005","10.9976","0.0006","23.6264","0.001","90","","90","","90","","3288","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Hydroxy-2-methylquinoline","","- C10 H9 N O -","- C10 H9 N O -","- C160 H144 N16 O16 -","16","2","CI2524","Fazaeli, Yousef; Amini, Mostafa M.; Shan Gao; Ng, Seik Weng","8-Hydroxy-2-methylquinoline","Acta Crystallographica Section E","2008","64","1","o97","o97","10.1107/S1600536807063246","","","0.71073","MoKα","","0.0984","0.0529","","","0.1449","0.1875","","","","","","1.095","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216988","9.8329","0.0007","13.3","0.0011","16.5688","0.0013","90","","90","","90","","2166.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Octane-1,8-diyldipyridinium dibromide dihydrate","","- C18 H30 Br2 N2 O2 -","- C18 H30 Br2 N2 O2 -","- C72 H120 Br8 N8 O8 -","4","0.5","CI2531","Xin Xiao; Ping-Yue Jiang; Yun-Qian Zhang; Sai-Feng Xue; Qian-Jiang Zhu","Octane-1,8-diyldipyridinium dibromide dihydrate","Acta Crystallographica Section E","2008","64","1","o183","o183","10.1107/S1600536807063970","","","0.71073","MoKα","","0.0497","0.0291","","","0.0688","0.077","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217000","15.7555","0.0013","11.2726","0.0009","28.742","0.002","90","","90","","90","","5104.7","0.7","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3α,6α-Bis(ethoxycarbonyl)glycouril","diethyl 2,5-dioxoperhydroimidazo[4,5-d]imidazole-3a,6a-dicarboxylate","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C160 H224 N64 O96 -","16","2","CV2340","Wang, Yu-Zhou; Wang, Zhi-Guo; Li, Lin","3α,6α-Bis(ethoxycarbonyl)glycoluril (diethyl 2,5-dioxoperhydroimidazo[4,5-<i>d</i>]imidazole-3a,6a-dicarboxylate)","Acta Crystallographica Section E","2008","64","1","o125","o125","10.1107/S1600536807056292","","","0.71073","MoKα","","0.1111","0.0677","","","0.1749","0.197","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217022","9.1082","0.0002","9.8123","0.0002","28.5126","0.0008","90","","90","","90","","2548.24","0.1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3,4-Dimethylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","DN2302","B. Thimme Gowda; Miroslav Tokarčík; Jozef Kožíšek; B. P. Sowmya; Hartmut Fuess","<i>N</i>-(3,4-Dimethylphenyl)benzamide","Acta Crystallographica Section E","2008","64","1","o340","o340","10.1107/S1600536807066937","","","0.71073","MoKα","","0.0907","0.058","","","0.1778","0.1935","","","","","","0.966","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217023","11.129","0.003","16.181","0.004","22.429","0.006","90","","90","","90","","4039","1.8","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-<i>tert</i>-Butylbenzylsulfanyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4- carbaldehyde","","- C22 H24 N2 O S -","- C22 H24 N2 O S -","- C176 H192 N16 O8 S8 -","8","1","EM2002","Wang, Chen-Yi","5-(4-<i>tert</i>-Butylbenzylsulfanyl)-3-methyl-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2008","64","1","o270","o270","10.1107/S160053680706597X","","","0.71073","MoKα","","0.1213","0.048","","","0.1105","0.1456","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217047","18.3623","0.0009","14.1565","0.0007","14.1386","0.0007","90","","90","","90","","3675.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","thiadiazole","N-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-phenylethyl]acetamide","","- C17 H22 N4 O3 S -","- C17 H22 N4 O3 S -","- C136 H176 N32 O24 S8 -","8","1","GD2020","P. Sakthivel; P. S. Joseph; P. Thomas Muthiah; K. Sethusankar; S. Thennarasu","<i>N</i>-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-phenylethyl]acetamide","Acta Crystallographica Section E","2008","64","1","o216","o216","10.1107/S1600536807064823","","","0.71073","MoKα","","0.0944","0.0471","","","0.1107","0.1418","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217088","15.908","0.003","15.479","0.003","16.602","0.003","90","","90","","90","","4088.1","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(<i>o</i>-tolyl)methanone]palladium(II)","","- C18 H22 Cl2 N4 O Pd -","- C18 H22 Cl2 N4 O Pd -","- C144 H176 Cl16 N32 O8 Pd8 -","8","1","HB2672","Nelana, Simphiwe M.; Kruger, Gert J.; Darkwa, James","Dichlorido(3,5-dimethyl-1<i>H</i>-pyrazole)[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)(<i>o</i>-tolyl)methanone]palladium(II)","Acta Crystallographica Section E","2008","64","1","m206","m207","10.1107/S1600536807066627","","","0.71073","MoKα","","0.0762","0.0398","","","0.0943","0.1135","","","","","","1.084","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217098","9.3039","0.0019","15.752","0.003","17.129","0.003","90","","90","","90","","2510.3","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-acetylhydrazono-2-phenylacetate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C96 H112 N16 O24 -","8","1","HG2352","Liang-Zhong Xu; Xu Yi; Guang-Wei An; Gong-Sheng Zhang; Chun-Fang Li","Ethyl 2-acetylhydrazono-2-phenylacetate","Acta Crystallographica Section E","2008","64","1","o33","o33","10.1107/S1600536807060941","","","0.71073","MoKα","","0.0424","0.0368","","","0.1041","0.1099","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217114","15.5226","0.0009","5.939","0.0003","34.775","0.002","90","","90","","90","","3205.9","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-Methyl 3-{3-[(4-bromophenoxy)methyl]phenyl}acrylate","","- C17 H15 Br O3 -","- C17 H15 Br O3 -","- C136 H120 Br8 O24 -","8","1","HK2392","Xin-Lin Ren; Hui-Rong Zhang; Wei-Dong Wang; Rui-Juan Tao; Hong-Wu He","(<i>E</i>)-Methyl 3-{3-[(4-bromophenoxy)methyl]phenyl}acrylate","Acta Crystallographica Section E","2008","64","1","o6","o6","10.1107/S1600536807061697","","","0.71073","MoKα","","0.1133","0.0542","","","0.1438","0.1622","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217115","8.051","0.0016","8.958","0.0018","24.22","0.005","90","","90","","90","","1746.8","0.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,4-Dihydro-1,4-benzothiazepin-5(2H)-one","","- C9 H9 N O S -","- C9 H9 N O S -","- C72 H72 N8 O8 S8 -","8","1","HK2393","Chen, Zhi-Long; Hong, Feng; Zhao, Sheng-Yin","3,4-Dihydro-1,4-benzothiazepin-5(2<i>H</i>)-one","Acta Crystallographica Section E","2008","64","1","o113","o113","10.1107/S1600536807062046","","","0.71073","MoKα","","0.1013","0.0615","","","0.1389","0.166","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217154","12.265","0.003","12.994","0.003","18.192","0.004","90","","90","","90","","2899.3","1.2","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","3-(3-Chloro-4-methylphenyl)-2-(4-fluorophenyl)thiazolidin-4-one","","- C16 H13 Cl F N O S -","- C16 H13 Cl F N O S -","- C128 H104 Cl8 F8 N8 O8 S8 -","8","1","KP2144","Xiao-Jun Sun; Jian-Feng Zhou","3-(3-Chloro-4-methylphenyl)-2-(4-fluorophenyl)thiazolidin-4-one","Acta Crystallographica Section E","2008","64","1","o214","o214","10.1107/S1600536807057133","","","0.7107","MoKα","","0.0613","0.048","","","0.1165","0.1253","","","","","","1.116","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217162","8.0538","0.0003","13.997","0.0005","14.2969","0.0005","90","","90","","90","","1611.68","0.1","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Bromobenzaldehyde cyanohydrin","(2-bromophenyl)(hydroxy)acetonitrile","","- C8 H6 Br N O -","- C8 H6 Br N O -","- C64 H48 Br8 N8 O8 -","8","1","LH2526","Betz, Richard; Betzler, Franziska; Klüfers, Peter","2-Bromobenzaldehyde cyanohydrin","Acta Crystallographica Section E","2008","64","1","o55","o55","10.1107/S1600536807049604","","","0.71073","MoKα","","0.0509","0.0317","","","0.0736","0.0831","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217164","10.7109","0.0004","18.6807","0.0006","22.1814","0.0007","90","","90","","90","","4438.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triethylammonium <i>N</i>'-(benzylsulfanylthiocarbonyl)-2-hydroxybenzohydrazidate","","- C21 H29 N3 O2 S2 -","- C21 H29 N3 O2 S2 -","- C168 H232 N24 O16 S16 -","8","1","LH2550","Singh, Mamata; Srivastava, Ajay K.; Singh, N.K.; Shrivastav, Anuraag; Sharma, R.K.","Triethylammonium <i>N</i>'-(benzylsulfanylthiocarbonyl)-2-hydroxybenzohydrazidate","Acta Crystallographica Section E","2008","64","1","o339","o339","10.1107/S1600536807067037","","","0.71073","MoKα","","0.105","0.0563","","","","0.118","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217202","7.6432","0.0004","10.5118","0.0004","36.2356","0.0012","90","","90","","90","","2911.3","0.2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Chalcone","(2E)-1-(4-Methylphenyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one","","- C16 H11 Cl3 O -","- C16 H11 Cl3 O -","- C128 H88 Cl24 O8 -","8","1","LX2037","A. Thiruvalluvar; M. Subramanyam; R.J. Butcher; Prakash Karegoudar; B. Shivarama Holla","(2<i>E</i>)-1-(4-Methylphenyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","1","o60","o60","10.1107/S1600536807062010","","","0.71073","MoKα","","0.1319","0.0644","","","0.1548","0.1684","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217207","13.8147","0.0003","6.785","0.0002","21.7103","0.0005","90","","90","","90","","2034.97","0.09","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-diholmium(III)]","","- C10 H6 Ho O6 -","- C10 H6 Ho O6 -","- C80 H48 Ho8 O48 -","8","1","NC2068","Qin He; Bao-Jun Huang","Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-diholmium(III)]","Acta Crystallographica Section E","2008","64","1","m237","m237","10.1107/S1600536807066950","","","0.71073","MoKα","","0.0182","0.0152","","","0.0412","0.0421","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217215","9.2791","0.0006","11.4916","0.0009","24.915","0.002","90","","90","","90","","2656.7","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4-benzylpiperidinium-1-ylmethyl)phosphonate","","- C13 H20 N O3 P -","- C13 H20 N O3 P -","- C104 H160 N8 O24 P8 -","8","1","NG2383","Dehghanpour, Saeed; Mahmoudi, Ali; Khalaj, Mehdi","Zwitterionic (4-benzylpiperidinium-1-ylmethyl)phosphonate","Acta Crystallographica Section E","2008","64","1","o19","o19","10.1107/S1600536807061429","","","0.71073","MoKα","","0.035","0.0326","","","0.0851","0.0868","","","","","","1.096","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2217232","8.7553","0.0013","18.06","0.003","20.682","0.003","90","","90","","90","","3270.3","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)manganese(II)]","","- C26 H30 Mn2 N4 O12 P2 -","- C26 H30 Mn2 N4 O12 P2 -","- C104 H120 Mn8 N16 O48 P8 -","4","0.5","OM2188","Shao-Ming Ying; Yun Chen; Qiu-Yan Luo; Ya-Ping Xv; Dong-Sheng Liu","Bis(μ-carboxylatoethylphosphonato)bis[aqua(2,2'-bipyridine)manganese(II)]","Acta Crystallographica Section E","2008","64","1","m166","m166","10.1107/S1600536807065142","","","0.71073","MoKα","","0.0417","0.0301","","","0.0873","0.0895","","","","","","0.986","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217261","14.281","0.004","14.989","0.005","15.241","0.005","90","","90","","90","","3262.5","1.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(acetato-κ^2^<i>O</i>,<i>O'</i>)bis(2-aminopyridine-κ<i>N</i>)nickel(II)","","- C14 H18 N4 Ni O4 -","- C14 H18 N4 Ni O4 -","- C112 H144 N32 Ni8 O32 -","8","1","RK2064","Qiang Wang; Da-Qi Wang","Bis(acetato-κ^2^<i>O</i>,<i>O</i>')bis(2-aminopyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2008","64","1","m194","m194","10.1107/S1600536807066226","","","0.71073","MoKα","","0.0516","0.0313","","","0.0747","0.0929","","","","","","0.953","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217313","8.2625","0.0012","12.8216","0.0014","15.229","0.002","90","","90","","90","","1613.3","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(2,4-dibromo-6-formylphenolato-κ^2^O,O')copper(II)","","- C14 H6 Br4 Cu O4 -","- C14 H6 Br4 Cu O4 -","- C56 H24 Br16 Cu4 O16 -","4","0.5","SJ2447","Li, Guang Zhao; Zhang, Shu Hua; Liu, Zheng","Bis(2,4-dibromo-6-formylphenolato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2008","64","1","m52","m52","10.1107/S1600536807062769","","","0.71073","MoKα","","0.0485","0.0284","","","0.0627","0.0685","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217335","13.963","0.0018","11.781","0.0015","37.182","0.005","90","","90","","90","","6116.4","1.4","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{Tris[2-(imidazol-2-ylmethylimino)ethyl]methylammonium}iron(II) tris(perchlorate) dihydrate","","- C19 H31 Cl3 Fe N10 O14 -","- C19 H31 Cl3 Fe N10 O14 -","- C152 H248 Cl24 Fe8 N80 O112 -","8","1","TK2214","Brewer, Greg A.; Jasinski, Jerry P.; Butcher, Ray J.","{Tris[2-(imidazol-2-ylmethylimino)ethyl]methylammonium}iron(II) tris(perchlorate) dihydrate","Acta Crystallographica Section E","2008","64","1","m1","m1","10.1107/S1600536807061673","","","0.71073","MoKα","","0.056","0.041","","","0.1","0.108","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217388","7.8254","0.0008","19.61","0.002","22.533","0.003","90","","90","","90","","3457.8","0.7","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chloro-2-nitro-1-phenylpropyl)-4-methylbenzenesulfonamide","","- C16 H17 Cl N2 O4 S -","- C16 H17 Cl N2 O4 S -","- C128 H136 Cl8 N16 O32 S8 -","8","1","AT2518","Zhi, Sanjun; Li, Tengfei; An, Guanghui; Pan, Yi","<i>N</i>-(2-Chloro-2-nitro-1-phenylpropyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2008","64","2","o357","o357","10.1107/S1600536807067712","","","0.71073","MoKα","","0.0782","0.0563","","","0.1203","0.1251","","","","","","1.012","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217412","7.096","0.002","11.348","0.003","22.661","0.007","90","","90","","90","","1824.8","0.9","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-Fluorophenyl)-5-methylimidazolidine-2,4-dione","","- C10 H9 F N2 O2 -","- C10 H9 F N2 O2 -","- C80 H72 F8 N16 O16 -","8","1","BI2269","Kashif, M. Kaleem; Hussain, Abid; Khawar Rauf, M.; Ebihara, Masahiro; Hameed, Shahid","5-(4-Fluorophenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2008","64","2","o444","o444","10.1107/S1600536807067803","","","0.7107","MoKα","","0.0463","0.0451","","","0.0936","0.0943","","","","","","1.22","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217418","6.4084","0.0013","6.4989","0.0013","19.948","0.004","90","","90","","90","","830.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[silver(I)-μ-pyrazolato-κ^2^N:N']","","- C3 H3 Ag N2 -","- C3 H3 Ag N2 -","- C24 H24 Ag8 N16 -","8","1","BQ2042","Zhang, Chao-Yan; Feng, Jian-Bo; Gao, Qian; Xie, Ya-Bo","<i>catena</i>-Poly[silver(I)-μ-pyrazolato-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2008","64","2","m352","m352","10.1107/S1600536807063490","","","0.71073","MoKα","","0.055","0.0406","","","0.0625","0.0658","","","","","","1.256","","","","has coordinates,has Fobs","194623","2020-10-21","18:00:00",""
"2217430","8.231","0.0016","17.446","0.004","19.261","0.004","90","","90","","90","","2765.8","1","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(dimethoxymethyl)anthracene","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","BT2672","Wang, Li; You, Wei; Huang, Wei; Jiang, Jue-Chao; Yao, Cheng","9-(Dimethoxymethyl)anthracene","Acta Crystallographica Section E","2008","64","2","o487","o487","10.1107/S1600536808001669","","","0.71073","MoKα","","0.0969","0.0519","","","0.1492","0.166","","","","","","0.896","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217476","10.3872","0.0012","12.0252","0.0013","16.3027","0.0019","90","","90","","90","","2036.3","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2-tetramethylene-1,2-dihydroquinazolin-4(3H)-one","spiro[cyclopentane-1,2'(1'H)-quinazolin]-4'(3'<i>H</i>)-one]","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C96 H112 N16 O8 -","8","1","DN2298","Zhang, Lijun; Li, Jiarong; Shi, Daxin; Chen, Jinnan","Redetermination at 113K of 2,2-tetramethylene-1,2-dihydroquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","2","o449","o449","10.1107/S1600536807066706","","","0.7107","MoKα","","0.0452","0.0413","","","0.1012","0.1038","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217479","16.0369","0.0013","5.7514","0.0005","17.5305","0.0015","90","","90","","90","","1616.9","0.2","200","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Aminophenylsulfur pentafluoride","","- C6 H6 F5 N S -","- C6 H6 F5 N S -","- C48 H48 F40 N8 S8 -","8","1","DN2303","Nava, Eva Lina; Jesih, Adolf; Goreshnik, Evgeny","4-Aminophenylsulfur pentafluoride","Acta Crystallographica Section E","2008","64","2","o416","o416","10.1107/S160053680800024X","","","0.71069","MoKα","","0.0933","0.0307","","","0.0479","0.0651","","","","","","0.578","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217483","9.6092","0.0006","10.6487","0.0007","19.868","0.001","90","","90","","90","","2033","0.2","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(3-nitrophenyl)acetamide","","- C8 H6 Cl2 N2 O3 -","- C8 H6 Cl2 N2 O3 -","- C64 H48 Cl16 N16 O24 -","8","1","DN2307","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","2,2-Dichloro-<i>N</i>-(3-nitrophenyl)acetamide","Acta Crystallographica Section E","2008","64","2","o382","o382","10.1107/S160053680706881X","","","0.71073","MoKα","","0.0492","0.0322","","","0.0791","0.0983","","","","","","1.102","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217484","14.404","0.001","8.6824","0.0006","18.71","0.001","90","","90","","90","","2339.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-<i>N</i>-phenylbenzamide","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","DN2308","B. Thimme Gowda; Sabine Foro; B. P. Sowmya; Hartmut Fuess","2-Methyl-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2008","64","2","o383","o383","10.1107/S1600536807068821","","","0.71073","MoKα","","0.0631","0.0378","","","0.0954","0.1151","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217485","9.3585","0.0002","9.7851","0.0002","25.1419","0.0006","90","","90","","90","","2302.34","0.09","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorophenyl)benzamide","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","1","DN2311","B. Thimme Gowda; Miroslav Tokarčík; Jozef Kožíšek; B. P. Sowmya; Hartmut Fuess","<i>N</i>-(3-Chlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","2","o462","o462","10.1107/S1600536808001311","","","0.71073","MoKα","","0.0603","0.0383","","","0.0948","0.1009","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217529","8.781","0.002","16.479","0.004","19.026","0.004","90","","90","","90","","2753.1","1.1","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dicyclohexylammonium thiocyanate","Dicyclohexylammonium thiocyanate","","- C13 H24 N2 S -","- C13 H24 N2 S -","- C104 H192 N16 S8 -","8","1","HG2363","Khawar Rauf, M.; Ebihara, Masahiro; Imtiaz-ud-Din; Badshah, Amin","Dicyclohexylammonium thiocyanate","Acta Crystallographica Section E","2008","64","2","o366","o366","10.1107/S1600536807067773","","","0.7107","MoKα","","0.0449","0.0408","","","0.0901","0.0922","","","","","","1.196","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217632","25.514","0.003","14.6064","0.0018","6.6109","0.0006","90","","90","","90","","2463.7","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(m-Tolyloxy)phthalonitrile","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C120 H80 N16 O8 -","8","1","RK2070","Zhang, Xian-Fu; Jia, Dandan; Liu, Qiang; Song, Aijun","3-(<i>m</i>-Tolyloxy)phthalonitrile","Acta Crystallographica Section E","2008","64","2","o401","o401","10.1107/S1600536807068225","","","0.71073","MoKα","","0.0881","0.0539","","","0.094","0.1092","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217669","12.6406","0.0014","17.6485","0.0014","20.5243","0.0017","90","","90","","90","","4578.7","0.7","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","μ-1,2-Bis(diethylphosphino)ethane-κ^2^P:P'-bis{[1,2-bis(diethylphosphino)ethane-κ^2^P,P']trichloridonitrosyltungsten(II)}","","- C30 H72 Cl6 N2 O2 P6 W2 -","- C30 H72 Cl6 N2 O2 P6 W2 -","- C120 H288 Cl24 N8 O8 P24 W8 -","4","0.5","SU2041","Avramović, Nataša; Blacque, Olivier; Schmalle, Helmut W.; Berke, Heinz","μ-1,2-Bis(diethylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'-bis{[1,2-bis(diethylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']trichloridonitrosyltungsten(II)}","Acta Crystallographica Section E","2008","64","2","m367","m368","10.1107/S1600536808001141","","","0.71073","MoKα","","0.0308","0.0235","","","0.0556","0.0562","","","","","","0.845","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217677","11.717","0.002","8.907","0.002","22.829","0.004","90","","90","","90","","2382.5","0.8","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","ethano-strapped unsubstituted Tröger's base","6<i>H</i>,12<i>H</i>-5,11-Ethanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","TK2243","Faroughi, Masoud; Try, Andrew C.; Turner, Peter","6<i>H</i>,12<i>H</i>-5,11-Ethanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2008","64","2","o458","o458","10.1107/S1600536808000883","","","0.71073","MoKα","","0.046","0.037","","","0.092","0.099","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217694","7.5121","0.0007","11.919","0.0015","27.5","0.003","90","","90","","90","","2462.3","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-2-[(2-Chlorophenyl)iminomethyl]-4-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","XU2392","Deveci, Özlem; Işık, Şamil; Erşahin, Ferda; Ağar, Erbil","(<i>E</i>)-2-[(2-Chlorophenyl)iminomethyl]-4-methylphenol","Acta Crystallographica Section E","2008","64","2","o539","o539","10.1107/S1600536808000780","","","0.71073","MoKα","","0.1706","0.0725","","","0.1907","0.2325","","","","","","0.814","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217715","12.912","0.007","9.021","0.005","24.52","0.01","90","","90","","90","","2856","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[silver(I)-μ-[<i>N</i>-(4-pyridylmethyl)pyridine-4- carboxamide-κ^2^<i>N</i>:<i>N</i>']] nitrate monohydrate]","","- C12 H13 Ag N4 O5 -","- C12 H13 Ag N4 O5 -","- C96 H104 Ag8 N32 O40 -","8","1","BG2109","Ma, Yu-Tao; Sun, Bai-Wang; Ng, Seik Weng","<i>catena</i>-Poly[[silver(I)-μ-[<i>N</i>-(4-pyridylmethyl)pyridine-4-carboxamide-κ^2^<i>N</i>:<i>N</i>']] nitrate monohydrate]","Acta Crystallographica Section E","2008","64","3","m470","","10.1107/S1600536807049082","","","0.71073","MoKα","","0.07","0.0526","","","0.1305","0.1407","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217734","12.7573","0.0014","12.7518","0.0014","14.729","0.0017","90","","90","","90","","2396.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Acetamido-3-(4-hydroxy-3-methoxyphenyl)acrylic acid","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C96 H104 N8 O40 -","8","1","CF2176","Lan, Xiao-Bing; Nan, Ye-Fei; Chen, Lin; Wang, Shi-Xiang; Zheng, Xiao-Hui","2-Acetamido-3-(4-hydroxy-3-methoxyphenyl)acrylic acid","Acta Crystallographica Section E","2008","64","3","o566","","10.1107/S1600536808001347","","","0.71073","MoKα","","0.0431","0.037","","","0.1155","0.1216","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217776","11.994","0.002","11.6933","0.0018","15.569","0.002","90","","90","","90","","2183.5","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.1^3,7^]decane tetrafluoroborate","","- C7 H15 B F4 N3 P -","- C7 H15 B F4 N3 P -","- C56 H120 B8 F32 N24 P8 -","8","1","HB2695","Smoleński, Piotr; Kirillov, Alexander M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.1^3,7^]decane tetrafluoroborate","Acta Crystallographica Section E","2008","64","3","o556","","10.1107/S1600536808003401","","","0.71069","MoKα","","0.0728","0.0447","","","0.1059","0.1207","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217778","9.9881","0.0011","11.8071","0.0013","14.1039","0.0015","90","","90","","90","","1663.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dichloridobis(methylamine-κN)boron(III) chloride","","- C2 H10 B Cl3 N2 -","- C2 H10 B Cl3 N2 -","- C16 H80 B8 Cl24 N16 -","8","1","HB2697","Weinmann, Markus; Nuss, Jürgen; Jansen, Martin","Dichloridobis(methylamine-κ<i>N</i>)boron(III) chloride","Acta Crystallographica Section E","2008","64","3","o583","","10.1107/S1600536808003589","","","0.71073","MoKα","","0.052","0.0431","","","0.0864","0.0891","","","","","","1.218","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217784","15.6018","0.0007","18.0682","0.0008","18.3745","0.0008","90","","90","","90","","5179.7","0.4","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{N,N-Bis[2-(trimethylsilylamino)ethyl]-N'-(trimethylsilyl)ethane-1,2- diaminato(3-)-κ^4^<i>N</i>}methylzirconium(IV)","","- C16 H42 N4 Si3 Zr -","- C16 H42 N4 Si3 Zr -","- C128 H336 N32 Si24 Zr8 -","8","1","HG2378","MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","{<i>N</i>,<i>N</i>-Bis[2-(trimethylsilylamino)ethyl]-<i>N</i>'-(trimethylsilyl)ethane-1,2-diaminato(3‒)-κ^4^<i>N</i>}methylzirconium(IV)","Acta Crystallographica Section E","2008","64","3","m477","","10.1107/S160053680800425X","","","0.71073","MoKα","","0.0364","0.0248","","","0.0568","0.0629","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217837","18.171","0.004","12.553","0.003","19.982","0.004","90","","90","","90","","4557.9","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Phenyl-4-(triphenylphosphanylidene)pyrrolidine-2,3,5-trione","","- C28 H20 N O3 P -","- C28 H20 N O3 P -","- C224 H160 N8 O24 P8 -","8","1","TK2239","Fan, Da-He","1-Phenyl-4-(triphenylphosphanylidene)pyrrolidine-2,3,5-trione","Acta Crystallographica Section E","2008","64","3","o570","","10.1107/S1600536808003565","","","0.71073","MoKα","","0.097","0.051","","","0.132","0.18","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217851","9.1691","0.0017","15.485","0.003","20.798","0.004","90","","90","","90","","2953","1","571","2","571","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4,6-dimethylpyrimidin-2-ylsulfanyl)-N-phenylacetamide","","- C14 H15 N3 O S -","- C14 H15 N3 O S -","- C112 H120 N24 O8 S8 -","8","1","AT2550","Gao, Li-Xin; Fang, Guang-Jun; Feng, Jin-Guo; Liang, Dong; Wang, Wei","2-(4,6-Dimethylpyrimidin-2-ylsulfanyl)-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2008","64","4","o760","","10.1107/S1600536808007940","","","0.71073","MoKα","","0.0934","0.0403","","","0.0912","0.1159","","","","","","1.011","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217911","11.7332","0.0007","13.8506","0.0006","23.6635","0.0014","90","","90","","90","","3845.6","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-(5-Chloro-2-hydroxybenzylideneamino)-N-(4,6-dimethylpyrimidin-2- yl)benzenesulfonamide","","- C19 H17 Cl N4 O3 S -","- C19 H17 Cl N4 O3 S -","- C152 H136 Cl8 N32 O24 S8 -","8","1","FJ2100","Chohan, Zahid H.; Tahir, M. Nawaz; Shad, Hazoor A.; Khan, Islam Ullah","4-(5-Chloro-2-hydroxybenzylideneamino)-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","Acta Crystallographica Section E","2008","64","4","o648","","10.1107/S1600536808005606","","","0.71073","MoKαradiation","","","0.0493","","","0.1118","0.1479","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217922","11.8142","0.0008","8.9111","0.0007","14.9705","0.001","90","","90","","90","","1576.06","0.19","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[diaquadipyridinezinc(II)]-μ-succinato]","","- C14 H18 N2 O6 Zn -","- C14 H18 N2 O6 Zn -","- C56 H72 N8 O24 Zn4 -","4","0.5","HB2701","Duangthongyou, Tanwawan; Siripaisarnpipat, Sutatip","<i>catena</i>-Poly[[diaquadipyridinezinc(II)]-μ-succinato]","Acta Crystallographica Section E","2008","64","4","m560","","10.1107/S1600536808006764","","","0.71073","Mokα","","0.1119","0.0654","","0.1258","","0.1075","","","","","","1.128","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2217944","8.6691","0.0006","13.4779","0.0007","31.493","0.0015","90","","90","","90","","3679.7","0.4","296","","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Acetyl-3-ferrocenyl-5-(2-nitrophenyl)-2-pyrazoline","","- C21 H19 Fe N3 O3 -","- C21 H19 Fe N3 O3 -","- C168 H152 Fe8 N24 O24 -","8","1","HY2116","Turgut Cin, Günseli; Demirel, Seda; Karadayı, Nevzat; Büyükgüngör, Orhan","1-Acetyl-3-ferrocenyl-5-(2-nitrophenyl)-2-pyrazoline","Acta Crystallographica Section E","2008","64","4","m514","m515","10.1107/S1600536808004236","","","0.71073","MoKα","","0.0679","0.0371","","","0.0769","0.086","","","","","","0.938","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217967","12.852","0.003","7.043","0.002","17.69","0.004","90","","90","","90","","1601.2","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-6-nitro-1H-benzimidazole","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C64 H56 N24 O16 -","8","1","NC2091","Lokaj, Jan; Kettmann, Viktor; Solčan, Tomáš; Katuščák, Svetozar","1-Methyl-6-nitro-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","4","o671","o672","10.1107/S1600536808005886","","","0.71073","MoKα","","0.0742","0.045","","","0.1167","0.1297","","","","","","0.959","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218004","7.8053","0.0009","13.8621","0.0017","24.101","0.003","90","","90","","90","","2607.7","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Chloro-4-nitrophenyl)-2-nitrobenzamide","","- C13 H8 Cl N3 O5 -","- C13 H8 Cl N3 O5 -","- C104 H64 Cl8 N24 O40 -","8","1","SI2073","Saeed, Aamer; Hussain, Shahid; Flörke, Ulrich","<i>N</i>-(2-Chloro-4-nitrophenyl)-2-nitrobenzamide","Acta Crystallographica Section E","2008","64","4","o705","","10.1107/S1600536808006430","","","0.71073","MoKα","","0.0615","0.0427","","","0.0982","0.1073","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218017","13.52","0.002","9.81","0.003","24.102","0.003","90","","90","","90","","3196.7","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dithiocyanate","","- C28 H40 N6 Ni O4 S2 -","- C28 H40 N6 Ni O4 S2 -","- C112 H160 N24 Ni4 O16 S8 -","4","0.5","SU2049","Ma, Hong-Bo; Jiang, Yan-Xia; Lei, Jun-Tao","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-6-methoxyphenolato}nickel(II) dithiocyanate","Acta Crystallographica Section E","2008","64","4","m597","m598","10.1107/S1600536808008052","","","0.71073","MoKα","","0.1629","0.07","","","0.1429","0.1754","","","","","","1.014","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218018","13.2879","0.0016","7.5426","0.0009","17.125","0.002","90","","90","","90","","1716.4","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(phenylphosphino)cyclo-tetramethyldihydrazine","1,2,4,5-Tetramethyl-3,6-diphenyl-1,2,4,5-tetraaza-3,6-diphosphinane","","- C16 H22 N4 P2 -","- C16 H22 N4 P2 -","- C64 H88 N16 P8 -","4","0.5","TK2250","Kriel, Frederik H.; Caddy, Judy; Fernandes, Manuel A.","1,2,4,5-Tetramethyl-3,6-diphenyl-1,2,4,5-tetraaza-3,6-diphosphinane","Acta Crystallographica Section E","2008","64","4","o708","","10.1107/S160053680800665X","","","0.71073","MoKα","","0.037","0.03","","","0.089","0.094","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218020","15.6229","0.0005","12.8014","0.0004","22.6866","0.0016","90","","90","","90","","4537.2","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","6-(2-Chlorobenzylamino)purinium tetrachlorido(dimethyl sulfoxide-κ<i>O</i>)(nitrosyl-κ<i>N</i>)ruthenate(III) monohydrate","","- C14 H19 Cl5 N6 O3 Ru S -","- C14 H19 Cl5 N6 O3 Ru S -","- C112 H152 Cl40 N48 O24 Ru8 S8 -","8","1","TK2253","Trávníček, Zdeněk; Matiková-Maľarová, Miroslava; Štěpánková, Kamila","6-(2-Chlorobenzylamino)purinium tetrachlorido(dimethyl sulfoxide-κ<i>O</i>)(nitrosyl-κ<i>N</i>)ruthenate(III) monohydrate","Acta Crystallographica Section E","2008","64","4","m545","m546","10.1107/S1600536808006673","","","0.71073","MoKα","","0.035","0.031","","","0.077","0.079","","","","","","1.09","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218028","12.2386","0.0002","9.0701","0.0001","23.0822","0.0003","90","","90","","90","","2562.25","0.06","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-<i>exo</i>,5-<i>endo</i>,8,8,10-Pentachlorobornane","","- C10 H13 Cl5 -","- C10 H13 Cl5 -","- C80 H104 Cl40 -","8","1","ZL2100","Valkonen, Arto; Kolehmainen, Erkki; Nikiforov, Vladimir","2-<i>exo</i>,5-<i>endo</i>,8,8,10-Pentachlorobornane","Acta Crystallographica Section E","2008","64","4","o688","","10.1107/S1600536808006235","","","0.71073","MoKα","","0.0951","0.0911","","","0.1897","0.1913","","","","","","1.255","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218044","13.064","0.0003","7.4162","0.0002","21.6698","0.0006","90","","90","","90","","2099.48","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Phenylimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","BG2180","Anaflous, Abderrahman; Albay, Hanane; Benchat, Nour-eddine; El Bali, Brahim; Dušek, Michal; Fejfarová, Karla","2-Phenylimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde","Acta Crystallographica Section E","2008","64","5","o927","","10.1107/S1600536808011306","","","0.71069","MoKα","","0.0561","0.0314","","","0.0742","0.0773","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218050","22.566","0.0016","12.1356","0.0012","26.03","0.002","90","","90","","90","","7128.4","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Bis(4-chlorobenzoyl)-1-(4-chlorophenyl)-3,5-di-2-thienylcyclohexanol methanol hemisolvate","","- C34.5 H27 Cl3 O3.5 S2 -","- C34.5 H27 Cl3 O3.5 S2 -","- C276 H216 Cl24 O28 S16 -","8","1","BI2281","Wang, Xiao-Fang; Huang, Xian-Qiang","2,4-Bis(4-chlorobenzoyl)-1-(4-chlorophenyl)-3,5-di-2-thienylcyclohexanol methanol hemisolvate","Acta Crystallographica Section E","2008","64","5","o777","","10.1107/S1600536808008428","","","0.71073","MoKα","","0.155","0.0801","","","0.2047","0.2897","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218061","8.0078","0.0003","27.357","0.0009","11.5563","0.0005","90","","90","","90","","2531.63","0.17","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5,6-Dichloro-2-(2-fluorophenyl)isoindoline-1,3-dione","","- C14 H6 Cl2 F N O2 -","- C14 H6 Cl2 F N O2 -","- C112 H48 Cl16 F8 N8 O16 -","8","1","BT2693","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","5,6-Dichloro-2-(2-fluorophenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2008","64","5","o882","","10.1107/S1600536808010544","","","0.71073","MoKα","","0.0425","0.0312","","","0.0802","0.0848","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218066","13.948","0.003","6.8724","0.0014","21.844","0.004","90","","90","","90","","2093.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)(μ~4~-succinato)diterbium(III)]","","- C10 H6 O6 Tb -","- C10 H6 O6 Tb -","- C80 H48 O48 Tb8 -","8","1","BT2699","Yu, Chun-Hui","Poly[bis(μ~4~-benzene-1,4-dicarboxylato)(μ~4~-succinato)diterbium(III)]","Acta Crystallographica Section E","2008","64","5","m735","","10.1107/S1600536808011355","","","0.71073","MoKα","","0.0207","0.0174","","","0.0399","0.0409","","","","","","1.072","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218079","13.557","0.005","13.302","0.005","17.371","0.007","90","","90","","90","","3133","2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II) bis(perchlorate)","","- C24 H36 Cl2 N4 Ni O12 -","- C24 H36 Cl2 N4 Ni O12 -","- C96 H144 Cl8 N16 Ni4 O48 -","4","0.5","CI2578","He, Yin-Ting","Bis{2-methoxy-6-[3-(methylamino)propyliminomethyl]phenolato}nickel(II) bis(perchlorate)","Acta Crystallographica Section E","2008","64","5","m646","m647","10.1107/S1600536808009562","","","0.71073","MoKα","","0.0854","0.0554","","","0.1609","0.1879","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218083","12.5485","0.00001","7.4775","0.00001","28.7764","0.0003","90","","90","","90","","2700.13","0.03","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(2,4-Dichlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one","1-(2,4-Dichlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O -","- C16 H12 Cl2 O -","- C128 H96 Cl16 O8 -","8","1","CI2584","Fun, Hoong-Kun; Jebas, Samuel Robinson; Patil, P. S.; Dharmaprakash, S. M.","1-(2,4-Dichlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","5","o936","","10.1107/S1600536808011008","","","0.71073","MoKα","","0.0751","0.0453","","","0.1302","0.1483","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218173","13.7282","0.0002","15.025","0.0002","19.2094","0.0003","90","","90","","90","","3962.25","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorido{5,5'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","","- C22 H18 Cl Mn N2 O4 -","- C22 H18 Cl Mn N2 O4 -","- C176 H144 Cl8 Mn8 N16 O32 -","8","1","IS2286","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana","Chlorido{5,5'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III)","Acta Crystallographica Section E","2008","64","5","m670","m671","10.1107/S1600536808009835","","","0.71073","MoKα","","0.0644","0.0383","","","0.0856","0.0953","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218197","10.47","0.0011","14.0482","0.0015","25.409","0.003","90","","90","","90","","3737.3","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)(4- chlorophenyl)methyl]malononitrile","","- C20 H16 Cl N5 -","- C20 H16 Cl N5 -","- C160 H128 Cl8 N40 -","8","1","NC2101","Zhang, Xin-Ying; Li, Xiao-Yan; Wang, Xia; Li, Dong-Fang; Fan, Xue-Sen","2-[(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)(4-chlorophenyl)methyl]malononitrile","Acta Crystallographica Section E","2008","64","5","o908","","10.1107/S1600536808011562","","","0.71073","MoKα","","0.0729","0.0405","","","0.0969","0.1181","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218304","12.9179","0.0012","9.5885","0.0007","17.5811","0.0015","90","","90","","90","","2177.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 2-(dihydroxyboryl)pyrrole-1-carboxylate","","- C9 H14 B N O4 -","- C9 H14 B N O4 -","- C72 H112 B8 N8 O32 -","8","1","BG2173","Klis, Tomasz; Serwatowski, Janusz","<i>tert</i>-Butyl 2-(dihydroxyboryl)pyrrole-1-carboxylate","Acta Crystallographica Section E","2008","64","6","o1054","","10.1107/S1600536808013482","","","0.71073","MoKα","","0.0476","0.0306","","","0.0735","0.0762","","","","","","0.965","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218329","8.227","0.0016","9.575","0.0019","37.375","0.007","90","","90","","90","","2944.2","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-benzimidazole","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","BT2706","Khalaji, Aliakbar Dehno; Jian, Fangfang; Xiao, Hailian; Harrison, William T. A.","2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","6","o1093","","10.1107/S1600536808014189","","","0.71073","MoKα","","0.2215","0.0513","","","0.0937","0.1431","","","","","","0.935","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218356","7.1232","0.0001","10.0757","0.0002","43.0262","0.0007","90","","90","","90","","3088.04","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one","2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one","","- C15 H9 Br2 Cl2 F O -","- C15 H9 Br2 Cl2 F O -","- C120 H72 Br16 Cl16 F8 O8 -","8","1","CI2588","Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Karthikeyan, M. S.; Patil, P. S.; Dharmaprakash, S. M.","2,3-Dibromo-1-(2,4-dichloro-5-fluorophenyl)-3-phenylpropan-1-one","Acta Crystallographica Section E","2008","64","6","o1039","","10.1107/S1600536808013238","","","0.71073","MoKα","","0.0848","0.0408","","","0.0724","0.0891","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218418","13.051","0.003","9.838","0.002","18.637","0.004","90","","90","","90","","2392.9","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-Methyl 2-[4-(dimethylamino)benzylidene]hydrazinecarboxylate","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C88 H120 N24 O16 -","8","1","HB2730","Hu, Xian-Chao; Lv, Lu-Ping; Li, Wei-Wei; Yu, Wen-Bo","(<i>E</i>)-Methyl 2-[4-(dimethylamino)benzylidene]hydrazinecarboxylate at 123 K","Acta Crystallographica Section E","2008","64","6","o1081","","10.1107/S1600536808013950","","","0.71073","MoKα","","0.061","0.0456","","","0.1239","0.1335","","","","","","1.108","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218439","9.169","0.0018","15.559","0.003","20.96","0.004","90","","90","","90","","2990.2","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3-aminophenyl) sulfone acetonitrile solvate","","- C14 H15 N3 O2 S -","- C14 H15 N3 O2 S -","- C112 H120 N24 O16 S8 -","8","1","HK2464","Yao, Wei; Li, Fang-Shi; Yu, Da-Sheng; Lu, Chui; Zhu, Jin-Na","Bis(3-aminophenyl) sulfone acetonitrile solvate","Acta Crystallographica Section E","2008","64","6","o1140","","10.1107/S1600536808014840","","","0.71073","MoKα","","0.1007","0.0549","","","0.1193","0.1354","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218473","7.2777","0.0001","11.2686","0.0002","30.2365","0.0006","90","","90","","90","","2479.68","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one","","- C15 H10 Cl2 O -","- C15 H10 Cl2 O -","- C120 H80 Cl16 O8 -","8","1","LH2627","Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Patil, P. S.; Dharmaprakash, S. M.; Deepak D'Silva, E.","(<i>E</i>)-3-(2-Chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","6","o1177","","10.1107/S1600536808015420","","","0.71073","MoKα","","0.068","0.0454","","","0.1164","0.1266","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218525","5.9616","0.0012","14.935","0.003","22.142","0.004","90","","90","","90","","1971.4","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[[chlorido(methyl phenyl sulfide-κS)mercury(II)]-μ-chlorido]","","- C7 H8 Cl2 Hg S -","- C7 H8 Cl2 Hg S -","- C56 H64 Cl16 Hg8 S8 -","8","1","SG2244","Vigo, Ludmila; Salin, Pekka; Oilunkaniemi, Raija; Laitinen, Risto S.","<i>catena</i>-Poly[[chlorido(methyl phenyl sulfide-κ<i>S</i>)mercury(II)]-μ-chlorido]","Acta Crystallographica Section E","2008","64","6","m809","","10.1107/S1600536808013718","","","0.71073","MoKα","","0.0406","0.0345","","","0.0878","0.0923","","","","","","1.073","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218549","14.871","0.003","13.563","0.003","24.993","0.005","90","","90","","90","","5041","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[(E)-4-chloro-2-(cyclohexyliminomethyl)phenolato]nickel(II)","","- C26 H30 Cl2 N2 Ni O2 -","- C26 H30 Cl2 N2 Ni O2 -","- C208 H240 Cl16 N16 Ni8 O16 -","8","1","SJ2506","Xia, Dong-Sheng; Chen, Wu; Zhao, Yu-Min; Zeng, Qing-Fu","Bis[(<i>E</i>)-4-chloro-2-(cyclohexyliminomethyl)phenolato]nickel(II)","Acta Crystallographica Section E","2008","64","6","m843","","10.1107/S1600536808015390","","","0.71073","MoKα","","0.148","0.0662","","","0.1282","0.1622","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218565","9.6002","0.0003","17.1594","0.0007","17.673","0.0005","90","","90","","90","","2911.34","0.17","160","1","160","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","cyclohex-2-enone derivative","3-Methyl-5-(3-phenoxyphenyl)cyclohex-2-enone","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","1","WN2258","Mohan, R. T. Sabapathy; Kamatchi, S.; Subramanyam, M.; Thiruvalluvar, A.; Linden, A.","3-Methyl-5-(3-phenoxyphenyl)cyclohex-2-enone","Acta Crystallographica Section E","2008","64","6","o1020","","10.1107/S1600536808012956","","","0.71073","MoKα","","0.1076","0.0696","","","0.171","0.1983","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218644","12.562","0.009","7.568","0.005","24.531","0.018","90","","90","","90","","2332","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-[1-(4-Methoxyanilino)ethylidene]-4,5-dihydrofuran-2(3<i>H</i>)-one","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C104 H120 N8 O24 -","8","1","CI2605","Zhang, Li-Ping; Ni, Cai-Hua; Zhang, Zhan-Hui","(<i>Z</i>)-3-[1-(4-Methoxyanilino)ethylidene]-4,5-dihydrofuran-2(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","7","o1328","","10.1107/S1600536808016504","","","0.71073","MoKα","","0.0971","0.0635","","","0.125","0.1404","","","","","","1.196","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218651","8.425","0.0017","7.226","0.0014","28.295","0.006","90","","90","","90","","1722.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methyl-7-nitro-2,3-dihydro-1-benzofuran","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","CI2613","Feng, Mei-Li; Li, Yu-Feng; Liu, Shan; Yang, Hai-Yu; Zhu, Hong-Jun","2-Methyl-7-nitro-2,3-dihydro-1-benzofuran","Acta Crystallographica Section E","2008","64","7","o1281","","10.1107/S1600536808017728","","","0.71073","MoKα","","0.1261","0.0655","","","0.1483","0.1823","","","","","","1.011","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218654","14.699","0.001","8.736","0.001","20.445","0.002","90","","90","","90","","2625.4","0.4","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzamide","","- C13 H8 Cl3 N O -","- C13 H8 Cl3 N O -","- C104 H64 Cl24 N8 O8 -","8","1","CI2616","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","2-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzamide","Acta Crystallographica Section E","2008","64","7","o1294","","10.1107/S1600536808018072","","","0.71073","MoKα","","0.1374","0.0555","","","0.1458","0.2304","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218658","11.7961","0.0003","7.613","0.0002","21.2977","0.0005","90","","90","","90","","1912.61","0.08","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-Dimethyl-4,4'-bipyridine","","- C12 H12 N2 -","- C12 H12 N2 -","- C96 H96 N16 -","8","1","CS2078","Ibragimov, Bahtier; Weber, Edwin; Peukert, Max; Fischer, Conrad; Seichter, Wilhelm","2,2'-Dimethyl-4,4'-bipyridine","Acta Crystallographica Section E","2008","64","7","o1287","","10.1107/S1600536808017807","","","0.71073","MoKα","","0.0656","0.0447","","","0.1255","0.1391","","","","","","0.905","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218741","14.2365","0.0005","9.2098","0.0004","26.3865","0.001","90","","90","","90","","3459.7","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Naphthyl 9H-carbazole-4-sulfonate","","- C22 H15 N O3 S -","- C22 H15 N O3 S -","- C176 H120 N8 O24 S8 -","8","1","IS2296","Arulmozhi, R.; Vennila, Jasmine P.; Babu, Sunil Manohar; Kavitha, Helen P.; Manivannan, V.","1-Naphthyl 9<i>H</i>-carbazole-4-sulfonate","Acta Crystallographica Section E","2008","64","7","o1208","","10.1107/S1600536808016334","","","0.71073","MoKα","","0.0796","0.0428","","","0.1143","0.1441","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218742","6.6033","0.0003","16.0751","0.0007","30.2216","0.0012","90","","90","","90","","3208","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalene","","- C19 H15 Cl O3 -","- C19 H15 Cl O3 -","- C152 H120 Cl8 O24 -","8","1","IS2299","Mitsui, Ryosuke; Nakaema, Kosuke; Noguchi, Keiichi; Okamoto, Akiko; Yonezawa, Noriyuki","1-(4-Chlorobenzoyl)-2,7-dimethoxynaphthalene","Acta Crystallographica Section E","2008","64","7","o1278","","10.1107/S1600536808017297","","","1.54187","CuKα","","0.0456","0.0401","","","0.1125","0.1176","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218786","9.214","0.001","15.735","0.002","18.816","0.002","90","","90","","90","","2728","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Amino-2,4,6-triiodoisophthalic acid monohydrate","","- C8 H6 I3 N O5 -","- C8 H6 I3 N O5 -","- C64 H48 I24 N8 O40 -","8","1","PK2102","Beck, Tobias; Sheldrick, George M.","5-Amino-2,4,6-triiodoisophthalic acid monohydrate","Acta Crystallographica Section E","2008","64","7","o1286","","10.1107/S1600536808017741","","","1.54178","CuKα","","0.0276","0.0256","","","0.0598","0.061","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218843","10.2472","0.0004","11.2723","0.0004","38.4188","0.0015","90","","90","","90","","4437.7","0.3","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","piperidin-4-one Oxime","t-3-Benzyl-r-2,c-6-bis(4-methoxyphenyl)piperidin-4-one oxime","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C208 H224 N16 O24 -","8","1","WN2266","Jayabharathi, J.; Thangamani, A.; Balamurugan, S.; Thiruvalluvar, A.; Linden, A.","<i>t</i>-3-Benzyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)piperidin-4-one oxime","Acta Crystallographica Section E","2008","64","7","o1211","","10.1107/S1600536808016449","","","0.71073","MoKα","","0.1356","0.0703","","","0.143","0.2109","","","","","","1.083","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218851","15.6338","0.0006","16.9231","0.0006","17.938","0.0007","90","","90","","90","","4745.9","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(1-ethyl-3-methylimidazolium) β-hexacosaoxidooctamolybdate","","- C24 H44 Mo8 N8 O26 -","- C24 H44 Mo8 N8 O26 -","- C96 H176 Mo32 N32 O104 -","4","0.5","YA2072","Lin, Shiwei; Chen, Weilin; Zhang, Zhiming; Liu, Wenli; Wang, Enbo","Tetrakis(1-ethyl-3-methylimidazolium) β-hexacosaoxidooctamolybdate","Acta Crystallographica Section E","2008","64","7","m954","","10.1107/S1600536808015936","","","0.71073","MoKα","","0.037","0.026","","","0.064","0.07","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218870","14.469","0.002","8.0602","0.0012","31.554","0.004","90","","90","","90","","3679.9","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone","","- C20 H14 Cl4 O -","- C20 H14 Cl4 O -","- C160 H112 Cl32 O8 -","8","1","AT2592","Guo, Huan-Mei; Liu, Li; Jian, Fang-Fang","2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone","Acta Crystallographica Section E","2008","64","8","o1626","","10.1107/S1600536808023003","","","0.71073","MoKα","","0.0981","0.0495","","","0.1011","0.1176","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218874","8.7159","0.0017","12.817","0.003","20.737","0.004","90","","90","","90","","2316.6","0.8","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>trans</i>-4-(1-Naphthyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C112 H88 N8 O32 -","8","1","BG2191","Yang, Jiao-Yan; Ming, Zhi-Hui; An, Jing; Hua, Qiu-Lin; Lu, Liang-Qiu","<i>trans</i>-4-(1-Naphthyl)-2-oxo-1,3-oxazolidine-5-carboxylic acid","Acta Crystallographica Section E","2008","64","8","o1484","","10.1107/S1600536808019132","","","0.71073","MoKα","","0.0411","0.0361","","","0.0896","0.0927","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218885","8.1564","0.0008","12.4746","0.0012","14.7296","0.0014","90","","90","","90","","1498.7","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-Poly[copper(II)-bis(μ-2,4-dichloro-6-formylphenolato)-\ κ^3^<i>O</i>,<i>O</i>':Cl^4^;κ^3^Cl^4^:<i>O</i>,<i>O</i>']","","- C14 H6 Cl4 Cu O4 -","- C14 H6 Cl4 Cu O4 -","- C56 H24 Cl16 Cu4 O16 -","4","0.5","BI2288","Fan, Ying; You, Wei; Liu, Jian-Lan; Qian, Hui-Fen; Huang, Wei","<i>catena</i>-Poly[copper(II)-bis(μ-2,4-dichloro-6-formylphenolato)-κ^3^<i>O</i>,<i>O</i>':<i>Cl</i>^4^;κ^3^<i>Cl</i>^4^:<i>O</i>,<i>O</i>']","Acta Crystallographica Section E","2008","64","8","m1011","","10.1107/S1600536808020424","","","0.71073","MoKα","","0.041","0.0331","","","0.0999","0.1029","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218915","9.658","0.0008","10.3177","0.0008","23.067","0.002","90","","90","","90","","2298.6","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(4-methylphenylsulfonyl)acetamide","","- C9 H9 Cl2 N O3 S -","- C9 H9 Cl2 N O3 S -","- C72 H72 Cl16 N8 O24 S8 -","8","1","BT2744","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Sowmya, B. P.; Fuess, Hartmut","2,2-Dichloro-<i>N</i>-(4-methylphenylsulfonyl)acetamide","Acta Crystallographica Section E","2008","64","8","o1492","","10.1107/S160053680802134X","","","0.71073","MoKα","","0.0454","0.0335","","","0.0863","0.0994","","","","","","1.135","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218935","11.342","0.003","7.6114","0.0017","24.986","0.005","90","","90","","90","","2157","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl <i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]hydrazinecarboxylate","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","CI2620","Cheng, Xiang-Wei","Ethyl <i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]hydrazinecarboxylate at 123K","Acta Crystallographica Section E","2008","64","8","o1396","","10.1107/S1600536808019818","","","0.71073","MoKα","","0.0512","0.0397","","","0.1161","0.1252","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218944","9.5909","0.0005","10.175","0.0005","23.256","0.001","90","","90","","90","","2269.49","0.19","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(4-chlorophenylsulfonyl)acetamide","","- C8 H6 Cl3 N O3 S -","- C8 H6 Cl3 N O3 S -","- C64 H48 Cl24 N8 O24 S8 -","8","1","CI2630","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Sowmya, B. P.; Fuess, Hartmut","2,2-Dichloro-<i>N</i>-(4-chlorophenylsulfonyl)acetamide","Acta Crystallographica Section E","2008","64","8","o1521","","10.1107/S1600536808021715","","","0.71073","MoKα","","0.0484","0.0269","","","0.062","0.0729","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218966","9.3998","0.0017","9.0945","0.0016","22.319","0.004","90","","90","","90","","1908","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-Methyl N'-(2-hydroxybenzylidene)hydrazinecarboxylate","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C72 H80 N16 O24 -","8","1","CV2431","Sun, Rong; Cheng, Xiang-Wei","(<i>E</i>)-Methyl <i>N</i>'-(2-hydroxybenzylidene)hydrazinecarboxylate at 123 K","Acta Crystallographica Section E","2008","64","8","o1563","","10.1107/S1600536808022332","","","0.71073","MoKα","","0.0454","0.0379","","","0.1127","0.1196","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218988","11.687","0.001","10.0187","0.0008","22.108","0.002","90","","90","","90","","2588.6","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,6-Dimethylphenyl)-2-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","FB2099","Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Fuess, Hartmut","<i>N</i>-(2,6-Dimethylphenyl)-2-methylbenzamide","Acta Crystallographica Section E","2008","64","8","o1605","","10.1107/S160053680802309X","","","0.71073","MoKα","","0.0582","0.0365","","","0.1059","0.1269","","","","","","1.002","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219051","9.1636","0.0018","9.8195","0.0018","24.165","0.004","90","","90","","90","","2174.4","0.7","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>Z</i>,3<i>Z</i>)-3,4-Dihydro-2<i>H</i>-1,4-benzothiazine-2,3-dione dioxime dihydrate","","- C8 H11 N3 O4 S -","- C8 H11 N3 O4 S -","- C64 H88 N24 O32 S8 -","8","1","HK2502","Kakanejadifard, Ali; Amani, Vahid","(2<i>Z</i>,3<i>Z</i>)-3,4-Dihydro-2<i>H</i>-1,4-benzothiazine-2,3-dione dioxime dihydrate","Acta Crystallographica Section E","2008","64","8","o1628","","10.1107/S1600536808023301","","","0.71073","MoKα","","0.085","0.0458","","","0.0962","0.1072","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219067","17.1945","0.0013","17.6887","0.0013","21.4633","0.0016","90","","90","","90","","6528","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[<i>N</i>'-(1,3-Dioxoindan-2-ylidene)-2-oxidobenzohydrazidato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>]tripyridinenickel(II) pyridine solvate","","- C36 H28 N6 Ni O4 -","- C36 H28 N6 Ni O4 -","- C288 H224 N48 Ni8 O32 -","8","1","IS2292","Liu, Wei-Sheng; Wu, Da-Xiang; Chen, Jia-Yu; Wang, Hui-Juan; Tang, Xiao-Liang","[<i>N</i>'-(1,3-Dioxoindan-2-ylidene)-2-oxidobenzohydrazidato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>]tripyridinenickel(II) pyridine solvate","Acta Crystallographica Section E","2008","64","8","m1088","","10.1107/S1600536808023489","","","0.71073","MoKα","","0.0851","0.038","","","0.0751","0.0926","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219089","11.4195","0.0008","10.5861","0.0007","13.1401","0.0009","90","","90","","90","","1588.48","0.19","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclo-trimethylenetrinitramine","1,3,5-trinitro-1,3,5-triazacyclohexane","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","LH2649","Hakey, Patrick; Ouellette, Wayne; Zubieta, Jon; Korter, Timothy","Redetermination of <i>cyclo</i>-trimethylenetrinitramine","Acta Crystallographica Section E","2008","64","8","o1428","","10.1107/S1600536808019727","","","0.71073","MoKα","","0.0365","0.0317","","","0.0781","0.0817","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219099","8.7192","0.0002","11.5819","0.0002","26.4769","0.0006","90","","90","","90","","2673.77","0.1","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-Bromo-1-(4-methylphenyl)-3-phenylprop-2-en-1-one","","","- C16 H13 Br O -","- C16 H13 Br O -","- C128 H104 Br8 O8 -","8","1","LH2662","Fun, Hoong-Kun; Jebas, Samuel Robinson; Patil, P. S.; Karthikeyan, M. S.; Dharmaprakash, S. M.","2-Bromo-1-(4-methylphenyl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2008","64","8","o1559","","10.1107/S1600536808022289","","","0.71073","MoKα","","0.0835","0.041","","","0.0762","0.0903","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219111","11.99","0.0018","9.2986","0.0014","25.868","0.004","90","","90","","90","","2884","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzyl-2-(2-chloro-4-methylphenoxy)acetamide","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C128 H128 Cl8 N8 O16 -","8","1","NC2110","Li, Zhu-Bo; Zuo, Hua; Dong, Wen-Liang; He, Xiao-Yan; Chen, Zhang-Bao","<i>N</i>-Benzyl-2-(2-chloro-4-methylphenoxy)acetamide","Acta Crystallographica Section E","2008","64","8","o1609","","10.1107/S1600536808022526","","","0.71073","MoKα","","0.0903","0.0455","","","0.1097","0.1326","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219112","14.8886","0.001","8.6579","0.0006","22.9867","0.0014","90","","90","","90","","2963.1","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzyl-2-(2,6-dichlorophenoxy)acetamide","","- C15 H13 Cl2 N O2 -","- C15 H13 Cl2 N O2 -","- C120 H104 Cl16 N8 O16 -","8","1","NC2111","Li, Zhu-Bo; Luo, Yong-Huang; Dong, Wen-Liang; Li, Jing; Zuo, Hua","<i>N</i>-Benzyl-2-(2,6-dichlorophenoxy)acetamide","Acta Crystallographica Section E","2008","64","8","o1610","","10.1107/S1600536808022514","","","0.71073","MoKα","","0.0804","0.0445","","","0.1126","0.1313","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219166","12.772","0.0003","12.9761","0.0002","21.9732","0.0005","90","","90","","90","","3641.63","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1<i>H</i>-benzimidazole","","- C20 H16 Cl2 N2 O2 -","- C20 H16 Cl2 N2 O2 -","- C160 H128 Cl16 N16 O16 -","8","1","SI2098","Özel Güven, Özden; Erdoğan, Taner; Coles, Simon J.; Hökelek, Tuncer","1-[2-(2,6-Dichlorobenzyloxy)-2-(2-furyl)ethyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","8","o1437","","10.1107/S1600536808020758","","","0.71073","MoKα","","0.0634","0.0472","","","0.1133","0.1223","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219180","9.669","0.001","10.462","0.001","21.024","0.002","90","","90","","90","","2126.7","0.4","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2-Dichloro-<i>N</i>-(phenylsulfonyl)acetamide","","- C8 H7 Cl2 N O3 S -","- C8 H7 Cl2 N O3 S -","- C64 H56 Cl16 N8 O24 S8 -","8","1","TK2284","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Sowmya, B. P.; Fuess, Hartmut","2,2-Dichloro-<i>N</i>-(phenylsulfonyl)acetamide","Acta Crystallographica Section E","2008","64","8","o1522","","10.1107/S1600536808021831","","","0.71073","MoKα","","0.062","0.045","","","0.107","0.127","","","","","","1.13","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219192","31.6377","0.0015","8.6787","0.0004","8.5308","0.0003","90","","90","","90","","2342.34","0.18","294","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(2-Furylcarbonyl)piperidine-1-carbothioamide","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C88 H112 N16 O16 S8 -","8","1","WW2121","Duque, J.; Estévez-Hernández, O.; Mascarenhas, Yvonne; Ellena, J.; Corrêa, Rodrigo S.","<i>N</i>-(2-Furylcarbonyl)piperidine-1-carbothioamide","Acta Crystallographica Section E","2008","64","8","o1457","","10.1107/S1600536808020977","","","0.71073","MoKα","","","0.0673","","","","0.2047","","","","","","1.105","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219201","9.3129","0.0002","8.1166","0.0001","24.0475","0.0004","90","","90","","90","","1817.73","0.05","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","","- C10 H9 N3 O -","- C10 H9 N3 O -","- C80 H72 N24 O8 -","8","1","XU2439","Özel Güven, Özden; Tahtacı, Hakan; Coles, Simon J.; Hökelek, Tuncer","1-Phenyl-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanone","Acta Crystallographica Section E","2008","64","8","o1604","","10.1107/S1600536808023258","","","0.71073","MoKα","","0.0697","0.0601","","","0.1356","0.1449","","","","","","1.173","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219224","12.852","0.003","7.4068","0.0015","22.561","0.004","90","","90","","90","","2147.6","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyloxypyridin-2-amine","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","AT2616","Lin, De-Jun; Sun, Yu; Li, Zhong-Shu; Sun, Bai-Wang","3-Benzyloxypyridin-2-amine","Acta Crystallographica Section E","2008","64","9","o1846","","10.1107/S160053680802730X","","","0.71073","MoKα","","0.1261","0.0667","","","0.1351","0.1571","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219230","11.2532","0.0018","10.431","0.0017","17.226","0.003","90","","90","","90","","2022","0.6","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-Methyl N'-[1-(4-hydroxyphenyl)ethylidene]hydrazinecarboxylate","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","BG2200","Lv, Lu-Ping; Xie, Jian-Wu; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao","(<i>E</i>)-Methyl <i>N</i>'-[1-(4-hydroxyphenyl)ethylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2008","64","9","o1675","","10.1107/S1600536808024227","","","0.71073","MoKα","","0.0367","0.0328","","","0.0939","0.0979","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219232","6.642","0.0003","14.7273","0.0006","26.0161","0.001","90","","90","","90","","2544.86","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aqua[μ-N'-(carboxymethyl)ethylenediamine-N,N,N'-triacetato]neodymium(III)]","","- C10 H15 N2 Nd O9 -","- C10 H15 N2 Nd O9 -","- C80 H120 N16 Nd8 O72 -","8","1","BG2202","Huang, Xiao-Hui; Xu, Xiao-Hong; Pan, Wei-Bo; Zeng, Rong-Hua","Poly[aqua[μ-<i>N</i>'-(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato]neodymium(III)]","Acta Crystallographica Section E","2008","64","9","m1194","","10.1107/S1600536808026445","","","0.71073","MoKα","","0.0241","0.0188","","","0.039","0.0409","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219233","14.1128","0.0008","15.3684","0.0009","15.9839","0.0009","90","","90","","90","","3466.8","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(hexamethylenetetramine-κN)bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)","","- C10 H22 Co N6 O3 S2 -","- C10 H22 Co N6 O3 S2 -","- C80 H176 Co8 N48 O24 S16 -","8","1","BH2177","Shang, Wei-Li; Bai, Yan; Ma, Chao-Zhong; Li, Zhi-Min","Aqua(hexamethylenetetramine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2008","64","9","m1184","m1185","10.1107/S160053680802357X","","","0.71073","MoKα","","0.0375","0.0285","","","0.071","0.0752","","","","","","1.045","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219239","9.9291","0.0002","10.3636","0.0002","25.8862","0.0005","90","","90","","90","","2663.72","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(carboxymethyl)ammonium 4-toluenesulfonate","","- C11 H15 N O7 S -","- C11 H15 N O7 S -","- C88 H120 N8 O56 S8 -","8","1","BH2187","Lo, Kong Mun; Ng, Seik Weng","Bis(carboxymethyl)ammonium 4-toluenesulfonate","Acta Crystallographica Section E","2008","64","9","o1798","","10.1107/S1600536808026214","","","0.71073","MoKα","","0.0511","0.0377","","","0.1032","0.1189","","","","","","1.151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219244","9.5387","0.0002","11.2724","0.0003","29.7796","0.0007","90","","90","","90","","3202.02","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(2-Hydroxy-5-nitrobenzylidene)-2-(1<i>H</i>-indol-3-yl)acetohydrazide","","- C17 H14 N4 O4 -","- C17 H14 N4 O4 -","- C136 H112 N32 O32 -","8","1","BQ2091","Puvaneswary, Subramaniam; Ali, Hapipah M.; Robinson, Ward T.; Ng, Seik Weng","<i>N</i>'-(2-Hydroxy-5-nitrobenzylidene)-2-(1<i>H</i>-indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2008","64","9","o1777","","10.1107/S1600536808026044","","","0.71073","MoKα","","0.0965","0.0442","","","0.1236","0.1596","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219258","13.926","0.0006","10.1995","0.0005","27.3014","0.0014","90","","90","","90","","3877.8","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7,9-Dimethyl-5-phenylsulfonyl-5<i>H</i>-benzo[b]carbazole","","- C24 H19 N O2 S -","- C24 H19 N O2 S -","- C192 H152 N8 O16 S8 -","8","1","BT2759","Chakkaravarthi, G.; Dhayalan, V.; Mohanakrishnan, A. K.; Manivannan, V.","7,9-Dimethyl-5-phenylsulfonyl-5<i>H</i>-benzo[<i>b</i>]carbazole","Acta Crystallographica Section E","2008","64","9","o1667","o1668","10.1107/S1600536808024380","","","0.71073","MoKα","","0.0896","0.0508","","","0.1296","0.1565","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219286","12.342","0.002","7.854","0.002","27.889","0.003","90","","90","","90","","2703.4","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Hydroxybenzylidene)-4-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CI2639","Bao, Xia; Wei, Yi-Jun","<i>N</i>'-(4-Hydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2008","64","9","o1682","","10.1107/S160053680802360X","","","0.71073","MoKα","","0.0741","0.049","","","0.1191","0.1346","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219297","26.251","0.003","12.376","0.003","7.786","0.002","90","","90","","90","","2529.5","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C112 H88 Cl8 N16 O16 -","8","1","CI2657","Yang, De-Suo","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2008","64","9","o1849","","10.1107/S1600536808027013","","","0.71073","MoKα","","0.0844","0.0469","","","0.0979","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219301","11.4341","0.0005","9.1939","0.0004","30.987","0.0013","90","","90","","90","","3257.5","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-Ethyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}-1,2,4- triazolo[3,4-b][1,3,4]thiadiazole","","","- C17 H22 N4 S -","- C17 H22 N4 S -","- C136 H176 N32 S8 -","8","1","CI2662","Fun, Hoong-Kun; Jebas, Samuel Robinson; Sujith, K. V.; Patil, P. S.; Kalluraya, B.","3-Ethyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2008","64","9","o1838","o1839","10.1107/S1600536808027086","","","0.71073","MoKα","","0.0852","0.055","","","0.123","0.1349","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219336","9.833","0.005","8.797","0.004","27.587","0.014","90","","90","","90","","2386","2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tetraethyl 2,2'-(2,3,5,6-tetrafluoro-<i>p</i>-phenylenedimethylene)dipropanoate","","- C22 H26 F4 O8 -","- C22 H26 F4 O8 -","- C88 H104 F16 O32 -","4","0.5","GW2045","Xi, Haitao; Gao, Yajun; Sun, Xiaoqiang; Meng, Qi; Jiang, Yan","Tetraethyl 2,2'-(2,3,5,6-tetrafluoro-<i>p</i>-phenylenedimethylene)dipropanoate","Acta Crystallographica Section E","2008","64","9","o1853","","10.1107/S1600536808027207","","","0.71073","MoKα","","0.1032","0.0549","","","0.0899","0.097","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219399","12.1141","0.0004","7.4449","0.0003","27.246","0.001","90","","90","","90","","2457.27","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E,E)-1,5-Di-2-thienylpenta-1,4-dien-3-one","","- C13 H10 O S2 -","- C13 H10 O S2 -","- C104 H80 O8 S16 -","8","1","LX2066","Murugavel, S.; Ganesh, G.; SubbiahPandi, A.; Murugan, Ramalingam; SrimanNarayanan, S.","(<i>E</i>,<i>E</i>)-1,5-Di-2-thienylpenta-1,4-dien-3-one","Acta Crystallographica Section E","2008","64","9","o1807","","10.1107/S1600536808026603","","","0.71073","MoKα","","0.076","0.0571","","","0.1805","0.2105","","","","","","1.013","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219406","12.0003","0.0017","7.7862","0.0011","25.863","0.004","90","","90","","90","","2416.6","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Naphthalene-2,3-diol‒imidazole (1/1)","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","NG2483","Wang, Yong-Tao; Tang, Gui-Mei; Wan, Wen-Zhu","Naphthalene-2,3-diol‒imidazole (1/1)","Acta Crystallographica Section E","2008","64","9","o1754","","10.1107/S1600536808025555","","","0.71073","MoKα","","0.0549","0.0409","","","0.1128","0.1246","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219420","18.6013","0.0011","11.9677","0.0007","19.3335","0.0011","90","","90","","90","","4303.9","0.4","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Tetraiodidobis(tri-<i>p</i>-tolylphosphine oxide-κ<i>O</i>)tin(IV)","","- C42 H42 I4 O2 P2 Sn -","- C42 H42 I4 O2 P2 Sn -","- C168 H168 I16 O8 P8 Sn4 -","4","0.5","PV2089","Hitosugi-Levesque, Marina; Tanski, Joseph M.","<i>trans</i>-Tetraiodidobis(tri-<i>p</i>-tolylphosphine oxide-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2008","64","9","m1107","","10.1107/S1600536808023945","","","0.71073","MoKα","","0.0223","0.0188","","","0.0467","0.0483","","","","","","1.068","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219424","12.3124","0.0014","10.2316","0.0011","25.914","0.003","90","","90","","90","","3264.5","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-Ferrocenyl-3-(4-methoxyphenyl)prop-2-en-1-one","","- C20 H18 Fe O2 -","- C20 H18 Fe O2 -","- C160 H144 Fe8 O16 -","8","1","PV2096","Long, Shi-Jia; Liu, Xiao-Lan; Liu, Yong-Hong","(<i>E</i>)-1-Ferrocenyl-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2008","64","9","m1164","","10.1107/S1600536808025518","","","0.71073","MoKα","","0.0529","0.0322","","","0.0785","0.0894","","","","","","1.018","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219440","15.344","0.002","7.7731","0.0008","21.693","0.002","90","","90","","90","","2587.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Ethylphenyl)phthalimide","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C128 H104 N8 O16 -","8","1","TK2280","Fan, Yen May; Zakaria, Norzalida; Ariffin, Azhar; Ng, Seik Weng","<i>N</i>-(2-Ethylphenyl)phthalimide","Acta Crystallographica Section E","2008","64","9","o1699","","10.1107/S1600536808020448","","","0.71073","MoKα","","0.063","0.042","","","0.094","0.104","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219462","15.5489","0.0009","16.7821","0.0009","20.561","0.001","90","","90","","90","","5365.3","0.5","168.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,2-Bipyridyl)bis(η^5^-pentamethylcyclopentadienyl)strontium(II)","","- C30 H38 N2 Sr -","- C30 H38 N2 Sr -","- C240 H304 N16 Sr8 -","8","1","WW2113","Kazhdan, Daniel; Hu, Yung-Jin; Kokai, Akos; Levi, Zerubba; Rozenel, Sergio","(2,2-Bipyridyl)bis(η^5^-pentamethylcyclopentadienyl)strontium(II)","Acta Crystallographica Section E","2008","64","9","m1134","","10.1107/S1600536808024677","","","0.7107","MoKα","","0.0676","0.0337","","0.0439","","0.0385","","","","","","1.566","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219497","13.557","0.0009","14.5615","0.0014","14.9585","0.0019","90","","90","","90","","2953","0.5","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diiodidobis(1-methylimidazole-κN^3^)cadmium(II)","","- C8 H12 Cd I2 N4 -","- C8 H12 Cd I2 N4 -","- C64 H96 Cd8 I16 N32 -","8","1","BQ2097","Zhao, Juan","Diiodidobis(1-methylimidazole-κ<i>N</i>^3^)cadmium(II)","Acta Crystallographica Section E","2008","64","10","m1320","","10.1107/S1600536808030225","","","0.71073","MoKα","","0.102","0.0629","","","0.156","0.1776","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219515","18.745","0.005","6.6054","0.0014","29.23","0.008","90","","90","","90","","3619.2","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-{[2-(4-Chlorophenoxy)-1-oxidoethylidene-κO^1^]hydrazonomethyl}phenolato- κ^2^N^1^,O)(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","","- C18 H15 Cl N4 Ni O3 -","- C18 H15 Cl N4 Ni O3 -","- C144 H120 Cl8 N32 Ni8 O24 -","8","1","BV2105","Chen, Xiao-Hua","(2-{[2-(4-Chlorophenoxy)-1-oxidoethylidene-κ<i>O</i>^1^]hydrazonomethyl}phenolato-κ^2^<i>N</i>^1^,<i>O</i>)(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2008","64","10","m1253","","10.1107/S1600536808028171","","","0.71073","MoKα","","0.0511","0.0347","","","0.0818","0.0871","","","","","","0.96","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219548","13.844","0.003","12.942","0.002","16.645","0.003","90","","90","","90","","2982.3","1","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Aminophenylsulfonyl)-<i>N</i>-(2-nitrophenylsulfonyl)methylamine","","- C13 H13 N3 O6 S2 -","- C13 H13 N3 O6 S2 -","- C104 H104 N24 O48 S16 -","8","1","CV2436","Li, Xu-Yun; Song, Zu-Wei","<i>N</i>-(2-Aminophenylsulfonyl)-<i>N</i>-(2-nitrophenylsulfonyl)methylamine","Acta Crystallographica Section E","2008","64","10","o1906","","10.1107/S1600536808028092","","","0.71073","MoKα","","0.0335","0.0315","","","0.0855","0.0866","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219557","9.682","0.0019","13.224","0.003","26.983","0.005","90","","90","","90","","3454.8","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(1-methylimidazole-κN^3^)zinc(II)]-μ-isophthalato- κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C16 H16 N4 O4 Zn -","- C16 H16 N4 O4 Zn -","- C128 H128 N32 O32 Zn8 -","8","1","CV2451","Zhao, Juan","<i>catena</i>-Poly[[bis(1-methylimidazole-κ<i>N</i>^3^)zinc(II)]-μ-isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2008","64","10","m1335","","10.1107/S160053680803078X","","","0.71073","MoKα","","0.1028","0.068","","","0.1838","0.2071","","","","","","1.054","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219560","9.082","0.0012","13.733","0.0017","24.568","0.003","90","","90","","90","","3064.2","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>tert</i>-butyl 2-(4-amino-9<i>H</i>-fluoren-9-ylidene)acetate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","DN2370","Krokidis, Marios; Papaioannou, Dionissios; Nastopoulos, Vassilios","(<i>Z</i>)-<i>tert</i>-Butyl 2-(4-amino-9<i>H</i>-fluoren-9-ylidene)acetate","Acta Crystallographica Section E","2008","64","10","o1978","","10.1107/S1600536808029735","","","0.71073","MoKα","","0.1113","0.0626","","","0.129","0.143","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219582","14.405","0.002","9.661","0.001","17.905","0.002","90","","90","","90","","2491.8","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","GK2164","Peng, San-Jun; Hou, Hai-Yun","3-Hydroxy-<i>N</i>'-(2-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2008","64","10","o1864","","10.1107/S1600536808027426","","","0.71073","MoKα","","0.066","0.0427","","","0.1037","0.1185","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219602","6.877","0.002","8.996","0.003","15.171","0.004","90","","90","","90","","938.6","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,2-Bis(2-furylmethylene)hydrazine","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","0.5","HB2802","Ma, Qi; Lu, Li-Ping; Zhu, Miao-Li","1,2-Bis(2-furylmethylene)hydrazine","Acta Crystallographica Section E","2008","64","10","o2026","","10.1107/S1600536808030729","","","0.71073","MoKα","","0.0469","0.0386","","","0.1016","0.1052","","","","","","1.052","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219615","15.0325","0.0008","15.0654","0.0008","14.0579","0.001","90","","90","","90","","3183.7","0.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5,5'-Dimethyl-2,2'-bipyridine-κ^2^N,N')diiodidomercury(II)","","- C12 H12 Hg I2 N2 -","- C12 H12 Hg I2 N2 -","- C96 H96 Hg8 I16 N16 -","8","1","HK2531","Tadayon Pour, Nasim; Ebadi, Amin; Abedi, Anita; Amani, Vahid; Khavasi, Hamid Reza","(5,5'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","Acta Crystallographica Section E","2008","64","10","m1305","","10.1107/S160053680802953X","","","0.71073","MoKα","","0.0718","0.0552","","","0.1174","0.124","","","","","","1.194","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219619","7.7504","0.0005","14.5638","0.0009","21.0615","0.0014","90","","90","","90","","2377.3","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 3-hydroxy-4-oxo-3,4-dihydro-2<i>H</i>-1,2-benzothiazine-3- carboxylate 1,1-dioxide monohydrate","","- C10 H11 N O7 S -","- C10 H11 N O7 S -","- C80 H88 N8 O56 S8 -","8","1","HK2537","Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Siddiqui, Waseeq Ahmad","Methyl 3-hydroxy-4-oxo-3,4-dihydro-2<i>H</i>-1,2-benzothiazine-3-carboxylate 1,1-dioxide monohydrate","Acta Crystallographica Section E","2008","64","10","o2045","","10.1107/S1600536808030948","","","0.71073","MoKα","","0.0911","0.0474","","","0.1026","0.1221","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219665","12.6766","0.0013","11.7603","0.0013","24.164","0.003","90","","90","","90","","3602.4","0.7","116","2","116","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{3-Cyano-5,5-dimethyl-4-[6-(pyrrolidin-1-yl)hexa-1,3,5-trienyl]-2,5-dihydro- 2-furylidene}malononitrile","","- C20 H20 N4 O -","- C20 H20 N4 O -","- C160 H160 N32 O8 -","8","1","NG2475","Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.","2-{3-Cyano-5,5-dimethyl-4-[6-(pyrrolidin-1-yl)hexa-1,3,5-trienyl]-2,5-dihydro-2-furylidene}malononitrile","Acta Crystallographica Section E","2008","64","10","o2036","o2037","10.1107/S1600536808028110","","","0.71073","MoKα","","0.1078","0.0476","","","0.1058","0.1294","","","","","","0.977","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219671","11.2581","0.001","8.1055","0.0007","29.857","0.003","90","","90","","90","","2724.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Dimethyl-4-<i>m</i>-tolylcyclohex-3-enecarboxylic acid","","- C16 H20 O2 -","- C16 H20 O2 -","- C128 H160 O16 -","8","1","OM2254","Xie, Songwen; Stein, Holly J.; Pink, Maren","2,6-Dimethyl-4-<i>m</i>-tolylcyclohex-3-enecarboxylic acid","Acta Crystallographica Section E","2008","64","10","o1869","","10.1107/S1600536808027542","","","0.71073","MoKα","","0.0714","0.0485","","","0.1234","0.1361","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219691","6.6506","0.0007","14.7051","0.0016","25.967","0.003","90","","90","","90","","2539.5","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[aqua[μ~3~-N'-(carboxymethyl)ethylenediamine-N,N,N'-triacetato] samarium(III)]","","- C10 H15 N2 O9 Sm -","- C10 H15 N2 O9 Sm -","- C80 H120 N16 O72 Sm8 -","8","1","RZ2243","Zhou, Guo-Yong; Wu, Gui-Rong; Deng, Zhi-Yong; Chen, Xing-Tian","Poly[aqua[μ~3~-<i>N</i>'-(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato]samarium(III)]","Acta Crystallographica Section E","2008","64","10","m1348","","10.1107/S1600536808031036","","","0.71073","MoKα","","0.034","0.0276","","","0.0608","0.064","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219709","12.181","0.002","12.452","0.003","23.856","0.005","90","","90","","90","","3618.4","1.3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Hydroxyethyl-4-methylmorpholinium chloride","","- C7 H16 Cl N O2 -","- C7 H16 Cl N O2 -","- C112 H256 Cl16 N16 O32 -","16","2","SI2107","Mei-Ling, Wang; Hong-Jun, Zang; Bo-Wen, Cheng; Song, Jun","4-Hydroxyethyl-4-methylmorpholinium chloride","Acta Crystallographica Section E","2008","64","10","o2029","","10.1107/S1600536808030195","","","0.71073","MoKα","","0.0336","0.0301","","","0.0736","0.0756","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219721","13.113","0.003","9.189","0.002","22.11","0.004","90","","90","","90","","2664.2","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","SU2061","Zhan, Xue-Hui","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2008","64","10","o1999","","10.1107/S1600536808029334","","","0.71073","MoKα","","0.1111","0.0552","","","0.114","0.1356","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219724","7.0278","0.0001","9.7105","0.0001","29.297","0.0004","90","","90","","90","","1999.33","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Dibromo-3-phenylpropionic acid","","- C9 H8 Br2 O2 -","- C9 H8 Br2 O2 -","- C72 H64 Br16 O16 -","8","1","TK2304","Thong, Pui Yee; Lo, Kong Mun; Ng, Seik Weng","2,3-Dibromo-3-phenylpropionic acid","Acta Crystallographica Section E","2008","64","10","o1946","","10.1107/S160053680802919X","","","0.71073","MoKα","","0.03","0.025","","","0.063","0.066","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219735","8.8404","0.0002","15.6719","0.0005","29.1488","0.001","90","","90","","90","","4038.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>trans</i>-<i>rac</i>-Methyl 2-hexyl-1-oxo-3-(2-pyridyl)-1,2,3,4-tetrahydro- isoquinoline-4-carboxylate","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C176 H208 N16 O24 -","8","1","WN2280","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Kandinska, Meglena I.; Bogdanov, Milen G.; Büyükgüngör, Orhan","Methyl <i>trans</i>-<i>rac</i>-2-hexyl-1-oxo-3-(2-pyridyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate","Acta Crystallographica Section E","2008","64","10","o1932","","10.1107/S1600536808029048","","","0.71073","MoKα","","0.1185","0.0887","","","0.2518","0.2791","","","","","","1.067","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219763","7.5783","0.0011","8.0295","0.0012","20.972","0.003","90","","90","","90","","1276.1","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,6-Bis(prop-2-ynyloxy)naphthalene","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","0.5","BG2213","Yao, Li; Tao, Ruo-Jie","2,6-Bis(prop-2-ynyloxy)naphthalene","Acta Crystallographica Section E","2008","64","11","o2081","","10.1107/S1600536808031772","","","0.71073","MoKα","","0.056","0.0388","","","0.0914","0.0989","","","","","","1.042","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219795","11.434","0.0004","12.253","0.0005","15.3806","0.0006","90","","90","","90","","2154.83","0.14","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ-4,4'-bipyridine-κ^2^N:N'-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>- copper(I)]","","- C11 H8 Cu N3 S -","- C11 H8 Cu N3 S -","- C88 H64 Cu8 N24 S8 -","8","1","BT2809","Wriedt, Mario; Sellmer, Sina; Näther, Christian","Poly[μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-copper(I)]","Acta Crystallographica Section E","2008","64","11","m1424","m1425","10.1107/S1600536808033175","","","0.71073","MoKα","","0.0573","0.0465","","","0.0863","0.0897","","","","","","1.243","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219797","13.606","0.003","7.5674","0.0015","24.578","0.005","90","","90","","90","","2530.6","0.9","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-2-one","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","1","BT2811","Li, Gong-Chun; Yang, Feng-Ling; Yao, Chang-Sheng","4-Phenyl-1,2,3,4-tetrahydropyrimido[1,2-<i>a</i>]benzimidazol-2-one","Acta Crystallographica Section E","2008","64","11","o2143","","10.1107/S1600536808033497","","","0.71073","MoKα","","0.0426","0.0366","","","0.0976","0.1122","","","","","","1.151","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219811","12.102","0.0011","8.1727","0.0007","25.476","0.002","90","","90","","90","","2519.7","0.4","123","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-Ethyl N'-[1-(4-methoxyphenyl)ethylidene]hydrazinecarboxylate","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","CI2686","Lv, Lu-Ping; Xie, Jian-Wu; Yu, Wen-Bo; Mao, Yu-Hui; Hu, Xian-Chao","(<i>E</i>)-Ethyl <i>N</i>'-[1-(4-methoxyphenyl)ethylidene]hydrazinecarboxylate","Acta Crystallographica Section E","2008","64","11","o2062","","10.1107/S1600536808031462","","","0.71073","MoKα","","0.0498","0.0403","","","0.1192","0.1269","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219832","10.3142","0.0007","16.865","0.001","34.984","0.002","90","","90","","90","","6085.4","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>rac</i>-Carbonyl{1- [(diphenylphosphino)methyl]ethanethiolato}(triphenylphosphine)rhodium(I)","","- C34 H31 O P2 Rh S -","- C34 H31 O P2 Rh S -","- C272 H248 O8 P16 Rh8 S8 -","8","1","DN2386","Hernández-Ortega, Simón; Morales-Morales, David","<i>rac</i>-Carbonyl{1-[(diphenylphosphino)methyl]ethanethiolato}(triphenylphosphine)rhodium(I)","Acta Crystallographica Section E","2008","64","11","m1465","","10.1107/S1600536808034284","","","0.71073","MoKα","","0.0739","0.0491","","","0.0993","0.1081","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219898","27.449","0.005","10.821","0.006","8.83","0.001","90","","90","","90","","2622.7","1.6","289","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Benzylpyridinium hydrogen selenate","","- C12 H13 N O4 Se -","- C12 H13 N O4 Se -","- C96 H104 N8 O32 Se8 -","8","1","IM2065","Maalej, Wassim; Elaoud, Zakaria; Mhiri, Tahar; Daoud, Abdelaziz; Driss, Ahmed","4-Benzylpyridinium hydrogen selenate","Acta Crystallographica Section E","2008","64","11","o2172","","10.1107/S1600536808033801","","","0.71073","MoKα","","","0.0374","","","","0.0868","","","","","","0.984","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219903","10.04","0.002","7.4774","0.0015","21.016","0.004","90","","90","","90","","1577.7","0.5","293","2","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","dicumyl peroxide","Bis(1-methyl-1-phenylethyl) peroxide","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","0.5","IS2340","Su, Wei-Yi; Hou, Guang-Yang; Yin, Qiu-Xiang; Zhou, Li-Na","Bis(1-methyl-1-phenylethyl) peroxide","Acta Crystallographica Section E","2008","64","11","o2128","","10.1107/S1600536808033412","","","0.71073","MoKα","","0.052","0.0433","","","0.1048","0.1096","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219914","8.4422","0.0007","15.6384","0.0013","22.2195","0.0018","90","","90","","90","","2933.5","0.4","150","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-acetato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C32 H28 Cd2 N4 O8 -","- C32 H28 Cd2 N4 O8 -","- C128 H112 Cd8 N16 O32 -","4","0.5","KJ2097","Harvey, Miguel Angel; Baggio, Sergio; Garland, María Teresa; Baggio, Ricardo","Di-μ-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section E","2008","64","11","m1450","","10.1107/S1600536808029462","","","0.71073","MoKα","","0.0263","0.024","","","0.0623","0.064","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219987","13.244","0.003","8.4865","0.0017","17.518","0.004","90","","90","","90","","1968.9","0.7","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C80 H88 N24 O16 -","8","1","SG2268","Liu, Bing; Xu, Weiren; Zhao, Guilong; Wang, Runling; Tang, Lida","1-(4-Methoxyphenyl)-3-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2008","64","11","o2099","","10.1107/S1600536808031784","","","0.71073","MoKα","","0.0519","0.0447","","","0.1098","0.1154","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220048","13.743","0.003","12.526","0.003","16.384","0.003","90","","90","","90","","2820.4","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methoxy-4-(4-nitrobenzyloxy)benzaldehyde","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C120 H104 N8 O40 -","8","1","AT2666","Li, Mei; Chen, Xin","3-Methoxy-4-(4-nitrobenzyloxy)benzaldehyde","Acta Crystallographica Section E","2008","64","12","o2291","","10.1107/S1600536808036015","","","0.71073","MoKα","","0.098","0.0439","","","0.1018","0.1319","","","","","","0.993","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220054","14.407","0.003","7.3365","0.0016","21.107","0.005","90","","90","","90","","2230.9","0.9","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1-(4-Hydroxyphenyl)-1H-tetrazol-5-ylsulfanyl]acetic acid","","- C9 H8 N4 O3 S -","- C9 H8 N4 O3 S -","- C72 H64 N32 O24 S8 -","8","1","AT2673","Zhan, Cai-Hong; Zhang, Shu-Guang; Feng, Yun-Long","[1-(4-Hydroxyphenyl)-1<i>H</i>-tetrazol-5-ylsulfanyl]acetic acid","Acta Crystallographica Section E","2008","64","12","o2451","","10.1107/S1600536808037136","","","0.71073","MoKα","","0.0748","0.0474","","","0.092","0.106","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220102","8.2921","0.0012","9.0457","0.0014","33.07","0.005","90","","90","","90","","2480.5","0.6","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-bis(prop-2-ynyloxy)naphthalene","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","BV2111","Yang, Guo-Zhong; Li, Fu-An","2,3-Bis(prop-2-ynyloxy)naphthalene","Acta Crystallographica Section E","2008","64","12","o2383","","10.1107/S1600536808037549","","","0.71073","MoKα","","0.0508","0.0391","","","0.0955","0.1013","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220109","11.0713","0.0001","13.0603","0.0002","15.7808","0.0002","90","","90","","90","","2281.82","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,5-dimethoxybenzaldehyde thiosemicarbazone","2,5-Dimethoxybenzaldehyde thiosemicarbazone","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C80 H104 N24 O16 S8 -","8","1","CI2701","Fun, Hoong-Kun; Jebas, Samuel Robinson; D'Silva, E. Deepak; Patil, P. S.; Dharmaprakash, S. M.","2,5-Dimethoxybenzaldehyde thiosemicarbazone","Acta Crystallographica Section E","2008","64","12","o2276","","10.1107/S1600536808035198","","","0.71073","MoKα","","0.0492","0.0371","","","0.0903","0.0966","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220142","8.7138","0.0017","6.6714","0.0013","9.3162","0.0019","90","","90","","90","","541.58","0.19","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Formamidoethyl)formamide","","- C4 H8 N2 O2 -","- C4 H8 N2 O2 -","- C16 H32 N8 O8 -","4","0.5","DN2396","Yang, Jin-hui; Chen, Yan-xue; Wang, Shao-hui; Wang, Jian-lei","<i>N</i>-(2-Formamidoethyl)formamide","Acta Crystallographica Section E","2008","64","12","o2418","","10.1107/S1600536808038488","","","0.71073","MoKα","","0.0292","0.0272","","","0.0718","0.0726","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220145","9.95","0.002","7.9205","0.0017","31.046","0.006","90","","90","","90","","2446.7","0.9","173","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Ferrocenylphenol","","- C16 H14 Fe O -","- C16 H14 Fe O -","- C128 H112 Fe8 O8 -","8","1","DN2401","Nyamori, Vincent O.; Bala, Muhammad D.","4-Ferrocenylphenol","Acta Crystallographica Section E","2008","64","12","m1630","","10.1107/S1600536808039524","","","0.71073","MoKα","","","0.0333","","","","0.0842","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220150","7.876","0.0016","16.098","0.003","33.986","0.007","90","","90","","90","","4309","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Bis(9H-carbazol-9-yl)thiophene","","- C28 H18 N2 S -","- C28 H18 N2 S -","- C224 H144 N16 S8 -","8","1","DN2409","Jiang, Xu-Liang; Huang, Er-Fang; Rao, Guo-Wu","2,5-Bis(9<i>H</i>-carbazol-9-yl)thiophene","Acta Crystallographica Section E","2008","64","12","o2502","","10.1107/S1600536808039767","","","0.71073","MoKα","","0.0834","0.0631","","","0.1409","0.1519","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220151","6.979","0.0001","13.469","0.002","29.448","0.008","90","","90","","90","","2768.1","0.9","289","2","289","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>'-[nitro(phenyl)methylene]hydrazine","","- C13 H9 N5 O6 -","- C13 H9 N5 O6 -","- C104 H72 N40 O48 -","8","1","EZ2141","Yuan, Chunlan","<i>N</i>-(2,4-Dinitrophenyl)-<i>N</i>'-[nitro(phenyl)methylene]hydrazine","Acta Crystallographica Section E","2008","64","12","o2297","","10.1107/S1600536808036179","","","0.71073","MoKα","","0.0885","0.0391","","","0.0542","0.0592","","","","","","0.983","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220201","12.155","0.001","11.238","0.001","35.421","0.003","90","","90","","90","","4838.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chloroanilino)quinoxaline","","- C14 H10 Cl N3 -","- C14 H10 Cl N3 -","- C224 H160 Cl16 N48 -","16","2","HB2854","Idris, Azila; Wan Saffiee, Wan Ainna Mardhiah; Abdullah, Zanariah; Ariffin, Azahar; Ng, Seik Weng","2-(4-Chloroanilino)quinoxaline","Acta Crystallographica Section E","2008","64","12","o2443","","10.1107/S1600536808038610","","","0.71073","MoKα","","0.0816","0.0584","","","0.123","0.1346","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220209","21.295","0.004","9.7177","0.0019","24.44","0.005","90","","90","","90","","5057.6","1.7","293","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[diiodidomercury(II)]-μ-<i>N</i>,<i>N</i>'-di-3-\ pyridylpyridine-2,6-dicarboxamide] dimethylformamide solvate]","","- C20 H20 Hg I2 N6 O3 -","- C20 H20 Hg I2 N6 O3 -","- C160 H160 Hg8 I16 N48 O24 -","8","1","HG2428","Huang, Li-Hua; Wu, Jie; Pan, Fang-Fang","<i>catena</i>-Poly[[[diiodidomercury(II)]-μ-<i>N</i>,<i>N</i>'-di-3-pyridylpyridine-2,6-dicarboxamide] dimethylformamide solvate]","Acta Crystallographica Section E","2008","64","12","m1533","","10.1107/S1600536808036581","","","0.71073","MoKα","","0.0661","0.0622","","","0.1173","0.1192","","","","","","1.311","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220210","10.0839","0.0003","7.6849","0.0002","28.1176","0.0008","90","","90","","90","","2178.94","0.11","123","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-nitrostilbene","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","HG2430","Moreno-Fuquen, Rodolfo; Aguirre, Lina; Kennedy, Alan R.","Redetermination of 4-nitrostilbene","Acta Crystallographica Section E","2008","64","12","o2259","","10.1107/S1600536808035459","","","0.71073","MoKα","","0.07","0.048","","","0.127","0.135","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220228","15.449","0.003","7.829","0.0016","16.755","0.003","90","","90","","90","","2026.5","0.7","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(4-Methyl-1-naphthyl)ethanone","","- C13 H12 O -","- C13 H12 O -","- C104 H96 O8 -","8","1","HK2564","Hu, Yong-Hong; Zhao, Xiao-Lei; Yang, Wen-Ge; Yao, Jin-Feng; Lu, Xiu-Tao","1-(4-Methyl-1-naphthyl)ethanone","Acta Crystallographica Section E","2008","64","12","o2307","","10.1107/S1600536808035812","","","0.71073","MoKα","","0.132","0.0586","","","0.1187","0.1549","","","","","","1.006","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220300","9.0287","0.0009","12.0767","0.0012","30.866","0.003","90","","90","","90","","3365.5","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(5,5-Dimethylhexahydropyrimidin-2-yl)-4-(phenyldiazenyl)phenol","","- C18 H22 N4 O -","- C18 H22 N4 O -","- C144 H176 N32 O8 -","8","1","NG2518","Sheikhshoaie, Iran; Monadi, Niaz; Abbasi, Alireza","(<i>E</i>)-2-(5,5-Dimethylhexahydropyrimidin-2-yl)-4-(phenyldiazenyl)phenol","Acta Crystallographica Section E","2008","64","12","o2453","","10.1107/S1600536808038877","","","0.71073","MoKα","","0.1031","0.0495","","","0.1013","0.1137","","","","","","0.809","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220308","7.7769","0.0002","19.4256","0.0005","22.3875","0.0006","90","","90","","90","","3382.1","0.15","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Acetyl-3,3-diethyl-5-hydroxy-2-morpholino-2,3-dihydro-1-benzofuran","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C144 H200 N8 O32 -","8","1","PV2104","Vega, Andrés; Ramírez-Rodríguez, Oney; Martínez-Cifuentes, Maximiliano; Ibañez, Andrés; Araya-Maturana, Ramiro","4-Acetyl-3,3-diethyl-5-hydroxy-2-morpholino-2,3-dihydro-1-benzofuran","Acta Crystallographica Section E","2008","64","12","o2329","","10.1107/S1600536808034065","","","0.71073","MoKα","","0.0442","0.0366","","","0.0928","0.0991","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220323","10.74","0.0011","9.6717","0.0009","28.215","0.003","90","","90","","90","","2930.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-Butyl N-(5-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-ylmethyl)carbamate","","- C12 H15 Br N4 O2 -","- C12 H15 Br N4 O2 -","- C96 H120 Br8 N32 O16 -","8","1","RZ2259","Yin, Ling; Jia, Jiong; Zhao, Gui-Long; Wang, Jian-Wu","<i>tert</i>-Butyl <i>N</i>-(5-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-ylmethyl)carbamate","Acta Crystallographica Section E","2008","64","12","o2262","","10.1107/S1600536808035393","","","0.71073","MoKα","","0.0691","0.0382","","","0.0895","0.1022","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220339","14.055","0.004","21.214","0.011","11.873","0.003","90","","90","","90","","3540","2","298.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,4'-Dichloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","","- C18 H20 Cl2 N2 O2 -","- C18 H20 Cl2 N2 O2 -","- C144 H160 Cl16 N16 O16 -","8","1","SI2120","Kubono, Koji; Tsuno, Yuki; Tani, Keita; Yokoi, Kunihiko","4,4'-Dichloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol","Acta Crystallographica Section E","2008","64","12","o2309","","10.1107/S1600536808035769","","","0.71069","MoKα","","","0.0389","","","","0.1046","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220349","16.755","0.003","10.552","0.002","18.497","0.004","90","","90","","90","","3270.2","1.1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-1<i>H</i>-benzoimidazol-3-ium 4,4,4-trifluoro-1,3-dioxo-1-phenylbutan-2-ide","","- C17 H14 F3 N3 O2 -","- C17 H14 F3 N3 O2 -","- C136 H112 F24 N24 O16 -","8","1","SJ2549","Li, Gong-Chun; Yang, Feng-Ling; Yao, Chang-Sheng","2-Amino-1<i>H</i>-benzoimidazol-3-ium 4,4,4-trifluoro-1,3-dioxo-1-phenylbutan-2-ide","Acta Crystallographica Section E","2008","64","12","o2460","","10.1107/S1600536808037483","","","0.71073","MoKα","","0.044","0.0391","","","0.1028","0.1074","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220351","17.803","0.0003","8.68121","0.0001","18.8683","0.0003","90","","90","","90","","2916.13","0.08","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(4-chlorobenzoyl)-2-hydroxy-7-methoxynaphthalene","(4-Chlorophenyl)(2-hydroxy-7-methoxynaphthalen-1-yl)methanone","","- C18 H13 Cl O3 -","- C18 H13 Cl O3 -","- C144 H104 Cl8 O24 -","8","1","SU2069","Mitsui, Ryosuke; Nakaema, Kosuke; Noguchi, Keiichi; Yonezawa, Noriyuki","(4-Chlorophenyl)(2-hydroxy-7-methoxynaphthalen-1-yl)methanone","Acta Crystallographica Section E","2008","64","12","o2497","","10.1107/S1600536808039603","","","1.54187","CuKα","","0.037","0.0328","","","0.0932","0.0963","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220380","6.5065","0.0011","7.2634","0.0012","12.772","0.002","90","","90","","90","","603.6","0.17","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,2S)-1,2-Dihydroxy-1,2-diformamidoethane","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C16 H32 N8 O16 -","4","0.5","WM2200","Taheri, Amir; Moosavi, Sayed Mojtaba","(1<i>R</i>,2<i>S</i>)-<i>N</i>,<i>N</i>'-(1,2-Dihydroxyethylene)diformamide","Acta Crystallographica Section E","2008","64","12","o2316","","10.1107/S1600536808036209","","","0.71073","MoKα","","0.0487","0.0424","","","0.1026","0.107","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220392","15.306","0.002","8.8368","0.0013","18.543","0.003","90","","90","","90","","2508.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(4-Pyridyl)-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazole","","- C16 H13 N3 -","- C16 H13 N3 -","- C128 H104 N24 -","8","1","XU2463","Xiao, Xin; Zhang, Yun-Qiang; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu","3-(4-Pyridyl)-4,5-dihydro-1<i>H</i>-benzo[<i>g</i>]indazole","Acta Crystallographica Section E","2008","64","12","o2449","","10.1107/S1600536808038944","","","0.71073","MoKα","","0.0536","0.0481","","","0.1253","0.1298","","","","","","1.083","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220426","16.469","0.003","14.677","0.003","19.612","0.004","90","","90","","90","","4740.5","1.6","292","2","292","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[3,5-difluoro-2-(2-pyridyl)phenyl](picolinato)iridium(III)","","- C28 H16 F4 Ir N3 O2 -","- C28 H16 F4 Ir N3 O2 -","- C224 H128 F32 Ir8 N24 O16 -","8","1","BT2823","Xu, Mao-Liang; Che, Guang-Bo; Li, Xiu-Ying; Xiao, Qi","Bis[3,5-difluoro-2-(2-pyridyl)phenyl](picolinato)iridium(III)","Acta Crystallographica Section E","2009","65","1","m28","","10.1107/S160053680804083X","","","0.71073","MoKα","","0.0484","0.0338","","","0.0617","0.0657","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220427","9.8693","0.0008","9.5732","0.0008","24.989","0.002","90","","90","","90","","2361","0.3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzyl-<i>N</i>-methylmorpholinium chloride","","- C12 H18 Cl N O -","- C12 H18 Cl N O -","- C96 H144 Cl8 N8 O8 -","8","1","BT2824","Bian, Yan-Jiang","<i>N</i>-Benzyl-<i>N</i>-methylmorpholinium chloride","Acta Crystallographica Section E","2009","65","1","o38","","10.1107/S1600536808040506","","","0.7107","MoKα","","0.0421","0.0392","","","0.1007","0.1029","","","","","","1.137","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220448","10.9225","0.0014","14.763","0.0016","22.514","0.002","90","","90","","90","","3630.4","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-(2,3,4-Trimethoxy-6-methylbenzylidene)naphthalen-1-amine","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C168 H168 N8 O24 -","8","1","CI2730","Wang, Cheng-Yun","(<i>E</i>)-<i>N</i>-(2,3,4-Trimethoxy-6-methylbenzylidene)naphthalen-1-amine","Acta Crystallographica Section E","2009","65","1","o56","","10.1107/S160053680803910X","","","0.71073","MoKα","","0.1041","0.059","","","0.1469","0.1658","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220491","11.7919","0.0009","13.9965","0.0008","23.5117","0.0017","90","","90","","90","","3880.5","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-[(5-Bromo-2-hydroxybenzylidene)amino]-<i>N</i>-(4,6-dimethylpyrimidin-2- yl)benzenesulfonamide‒4-bromo-2-[(E)-({4-[(4,6-dimethylpyrimidin-2- yl)sulfamoyl]phenyl}iminio)methyl]phenolate [61(7)/39(7)]","","- C19 H17 Br N4 O3 S -","- C19 H17 Br N4 O3 S -","- C152 H136 Br8 N32 O24 S8 -","8","1","GK2160","Shad, Hazoor A.; Tahir, M. Nawaz; Chohan, Zahid H.","4-[(5-Bromo-2-hydroxybenzylidene)amino]-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒4-bromo-2-[(<i>E</i>)-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}iminio)methyl]phenolate [0.61(7)/0.39(7)]","Acta Crystallographica Section E","2009","65","1","o98","o99","10.1107/S1600536808041214","","","0.71073","MoKα","","0.1072","0.0483","","","0.1086","0.1312","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220492","9.939","0.006","8.803","0.005","15.366","0.009","90","","90","","90","","1344.4","1.4","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(<i>p</i>-Phenylenedimethylene)bis(propane-1,3-diol)","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","0.5","GK2172","Gao, Yajun; Xi, Haitao; Sun, Xiaoqiang; Fu, Yongsheng; Liu, Li","2,2'-(<i>p</i>-Phenylenedimethylene)bis(propane-1,3-diol)","Acta Crystallographica Section E","2009","65","1","o170","","10.1107/S1600536808041688","","","0.71073","MoKα","","0.0532","0.0381","","","0.1064","0.1149","","","","","","1.082","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220540","14.6322","0.0006","9.1014","0.0003","21.2307","0.0009","90","","90","","90","","2827.37","0.19","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>R</i>,3<i>S</i>)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3- dimethylurea)","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","1","HK2591","Maliha, Bushra; Tariq, Muhammad Ilyas; Tahir, M. Nawaz; Hussain, Ishtiaq; Siddiqui, Hamid Latif","(1<i>R</i>,3<i>S</i>)-1,1'-(1,3-Dihydro-2-benzofuran-1,3-diyl)bis(1,3-dimethylurea)","Acta Crystallographica Section E","2009","65","1","o42","o43","10.1107/S1600536808040828","","","0.71073","MoKα","","0.0496","0.0376","","","0.1254","0.1504","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","189007","2020-10-21","18:00:00",""
"2220571","16.3707","0.0016","7.7928","0.0007","22.088","0.002","90","","90","","90","","2817.8","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(1<i>H</i>-Imidazol-1-ylsulfonyl)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-amine","","- C15 H15 N3 O2 S -","- C15 H15 N3 O2 S -","- C120 H120 N24 O16 S8 -","8","1","LH2737","Teng, Lei; Zhang, Yong; Zhang, Shi-lei; Qu, Yuan; Xia, Xian-you","5-(1<i>H</i>-Imidazol-1-ylsulfonyl)-<i>N</i>,<i>N</i>-dimethylnaphthalen-1-amine","Acta Crystallographica Section E","2009","65","1","o55","","10.1107/S160053680804066X","","","0.71073","MoKα","","0.0486","0.0412","","","0.1048","0.1095","","","","","","1.073","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220604","10.3244","0.0012","12.5378","0.0014","12.8384","0.0015","90","","90","","90","","1661.9","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxyethyl)terephthalamide","","- C16 H24 N2 O6 -","- C16 H24 N2 O6 -","- C64 H96 N8 O24 -","4","0.5","RN2054","Wang, Zhi-Qiang; Xu, Chen; Li, Ying-Fei; Cen, Fei-Fei; Zhang, Yu-Qing","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-hydroxyethyl)terephthalamide","Acta Crystallographica Section E","2009","65","1","o166","","10.1107/S1600536808041573","","","0.71073","MoKα","","0.052","0.0418","","","0.1163","0.1259","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220631","10.24","0.002","6.237","0.0012","27.503","0.006","90","","90","","90","","1756.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-diol","","- C11 H12 O2 -","- C11 H12 O2 -","- C88 H96 O16 -","8","1","SJ2556","Xu, Jian; Xu, Hao; Quan, Ji-cai; Sha, Fei; Yao, Cheng","1,2,3,4-Tetrahydro-1,4-methanonaphthalene-2,3-diol","Acta Crystallographica Section E","2009","65","1","o79","","10.1107/S1600536808041068","","","0.71073","MoKα","","0.1026","0.0625","","","0.1404","0.1679","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220648","12.2081","0.0009","11.372","0.0009","35.097","0.003","90","","90","","90","","4872.5","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Quinoxalin-2-yl)-4-toluidine","","- C15 H13 N3 -","- C15 H13 N3 -","- C240 H208 N48 -","16","2","TK2339","Wan Saffiee, Wan Ainna Mardhiah; Idris, Azila; Aiyub, Zaharah; Abdullah, Zanariah; Ng, Seik Weng","<i>N</i>-(Quinoxalin-2-yl)-4-toluidine","Acta Crystallographica Section E","2009","65","1","o93","","10.1107/S1600536808041160","","","0.71073","MoKα","","0.0657","0.0414","","","0.0935","0.1118","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220692","10.6928","0.0012","16.7647","0.0017","19.865","0.002","90","","90","","90","","3561","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Diphenylcarbamothioyl)-3-methylbenzamide","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","AT2712","Binzet, Gün; Flörke, Ulrich; Külcü, Nevzat; Arslan, Hakan","<i>N</i>-(Diphenylcarbamothioyl)-3-methylbenzamide","Acta Crystallographica Section E","2009","65","2","o378","o379","10.1107/S1600536809002554","","","0.71073","MoKα","","0.0767","0.0471","","","0.0927","0.1012","","","","","","0.947","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220696","14.809","0.004","11.892","0.003","19.494","0.005","90","","90","","90","","3433.1","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 3-(4-methylbenzenesulfonamido)thieno[2,3-<i>b</i>]pyridine-2-carboxylate","","- C17 H16 N2 O4 S2 -","- C17 H16 N2 O4 S2 -","- C136 H128 N16 O32 S16 -","8","1","BG2232","Zhang, Wen-qin; Zheng, Ren-lin; Song, Hang; Yang, Sheng-Yong; Yu, Luo-Ting","Ethyl 3-(4-methylbenzenesulfonamido)thieno[2,3-<i>b</i>]pyridine-2-carboxylate","Acta Crystallographica Section E","2009","65","2","o257","","10.1107/S1600536809000269","","","0.71073","MoKα","","0.0954","0.0546","","","0.1553","0.1858","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220713","19.1004","0.0011","12.0462","0.0007","26.9627","0.0018","90","","90","","90","","6203.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis[diphenylglyoximato(1-)-κ^2^<i>N</i>,<i>N</i>'](1<i>H</i>- imidazole-κ<i>N</i>^3^)cobalt(III) hemihydrate","","- C31 H27 Cl Co N6 O4.5 -","- C31 H27 Cl Co N6 O4.5 -","- C248 H216 Cl8 Co8 N48 O36 -","8","1","BT2831","Meera, P.; Revathi, C.; Dayalan, A.","Chloridobis[diphenylglyoximato(1‒)-κ^2^<i>N</i>,<i>N</i>'](1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) hemihydrate","Acta Crystallographica Section E","2009","65","2","m140","m141","10.1107/S160053680804347X","","","0.71073","MoKα","","0.0695","0.0397","","","0.0887","0.1037","","","","","","1.058","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220734","14.19","0.001","5.637","0.0005","28.139","0.003","90","","90","","90","","2250.8","0.4","299","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Methyl <i>N</i>-(4-chlorophenyl)succinamate","Methyl 3-[(4-chlorophenyl)aminocarbonyl]propionate","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C88 H96 Cl8 N8 O24 -","8","1","BX2194","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Terao, Hiromitsu; Fuess, Hartmut","Methyl <i>N</i>-(4-chlorophenyl)succinamate","Acta Crystallographica Section E","2009","65","2","o388","","10.1107/S1600536809002724","","","0.71073","MoKα","","0.0778","0.0499","","","0.1224","0.1536","","","","","","1.19","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220776","14.8481","0.0019","12.4079","0.0016","17.379","0.002","90","","90","","90","","3201.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(IV) monohydrate","","- C12 H10 Cl4 N2 O Pt -","- C12 H10 Cl4 N2 O Pt -","- C96 H80 Cl32 N16 O8 Pt8 -","8","1","FJ2191","Kim, Nam-Ho; Hwang, In-Chul; Ha, Kwang","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(IV) monohydrate","Acta Crystallographica Section E","2009","65","2","m230","","10.1107/S1600536809002694","","","0.71073","MoKα","","0.0742","0.0463","","","0.1239","0.1414","","","","","","1.019","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2220789","7.1757","0.0003","6.2769","0.0002","16.5573","0.0007","90","","90","","90","","745.76","0.05","150","1","150","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-dimethoxybenzene","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","0.5","HB2878","Iuliucci, Robbie; Hoop, Cody L.; Arif, Atta M.; Harper, James K.; Pugmire, Ronald J.; Grant, David M.","Redetermination of 1,4-dimethoxybenzene","Acta Crystallographica Section E","2009","65","2","o251","","10.1107/S1600536808044231","","","0.71073","MoKα","","0.0441","0.0371","","","0.0953","0.1009","","","","","","1.089","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220795","18.6976","0.0003","15.3045","0.0002","19.7287","0.0003","90","","90","","90","","5645.51","0.14","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyltributylammonium 4,6-dihydroxynaphthalene-2-sulfonate","","- C29 H41 N O5 S -","- C29 H41 N O5 S -","- C232 H328 N8 O40 S8 -","8","1","HB2891","Uta, Kazuya; Mizuguchi, Jin","Benzyltributylammonium 4,6-dihydroxynaphthalene-2-sulfonate","Acta Crystallographica Section E","2009","65","2","o322","","10.1107/S1600536809000415","","","1.54187","CuKα","","","0.1962","","","","0.5472","","","","","","1.492","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220840","7.119","0.002","15.515","0.003","33.585","0.007","90","","90","","90","","3709.5","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxy-2,2-diphenylethyl)(methyl)amino]-<i>N</i>,<i>N</i>-\ dimethylethanaminium bromide","","- C19 H27 Br N2 O -","- C19 H27 Br N2 O -","- C152 H216 Br8 N16 O8 -","8","1","IM2095","Gessner, Viktoria H.; Däschlein, Christian; Strohmann, Carsten","2-[(2-Hydroxy-2,2-diphenylethyl)(methyl)amino]-<i>N</i>,<i>N</i>-dimethylethanaminium bromide","Acta Crystallographica Section E","2009","65","2","o383","","10.1107/S1600536809002414","","","0.71073","MoKα","","0.0445","0.0369","","","0.0833","0.0986","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220843","9.2419","0.0018","10.377","0.002","22.597","0.005","90","","90","","90","","2167.1","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(3-nitrobenzoato)(μ~3~-1,2,4-triazolato)cobalt(II)]","","- C9 H6 Co N4 O4 -","- C9 H6 Co N4 O4 -","- C72 H48 Co8 N32 O32 -","8","1","IS2370","Qi, Xu-Liang","Poly[(3-nitrobenzoato)(μ~3~-1,2,4-triazolato)cobalt(II)]","Acta Crystallographica Section E","2009","65","2","m134","","10.1107/S1600536808043596","","","0.71073","MoKα","","0.0255","0.0225","","","0.057","0.0586","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220856","15.177","0.003","13.735","0.003","17.497","0.004","90","","90","","90","","3647.4","1.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Butoxy-3-(2,4-dichlorophenyl)-1-oxaspiro[4.5]dec-3-en-2-one","","- C19 H22 Cl2 O3 -","- C19 H22 Cl2 O3 -","- C152 H176 Cl16 O24 -","8","1","LH2747","Xu, Liang-zhong; Sun, Shan-qi; Guo, Wei; Su, Qun-qun","4-Butoxy-3-(2,4-dichlorophenyl)-1-oxaspiro[4.5]dec-3-en-2-one","Acta Crystallographica Section E","2009","65","2","o302","","10.1107/S1600536809000579","","","0.71073","MoKα","","0.0585","0.0452","","","0.1248","0.1311","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220877","9.5874","0.0014","17.888","0.003","22.025","0.003","90","","90","","90","","3777.3","1","290","2","290","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","","- C23 H16 Cl N O S -","- C23 H16 Cl N O S -","- C184 H128 Cl8 N8 O8 S8 -","8","1","NG2532","Manivel, P.; Hathwar, Venkatesha R.; Nithya, P.; Subashini, R.; Nawaz Khan, F.","1-(4-Chlorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","Acta Crystallographica Section E","2009","65","2","o254","","10.1107/S1600536809000257","","","0.71073","MoKα","","0.1387","0.0709","","","0.109","0.125","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220878","16.9008","0.0011","9.8036","0.0007","23.3226","0.0016","90","","90","","90","","3864.3","0.5","290","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","1-(4-Chloro-3-fluorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","","- C23 H15 Cl F N O S -","- C23 H15 Cl F N O S -","- C184 H120 Cl8 F8 N8 O8 S8 -","8","1","NG2534","Manivel, P.; Hathwar, Venkatesha R.; Maiyalagan, T.; Arslan, N. Burcu; Nawaz Khan, F.","1-(4-Chloro-3-fluorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone","Acta Crystallographica Section E","2009","65","2","o334","","10.1107/S1600536809001573","","","0.71073","MoKα","","0.0917","0.0556","","","0.1155","0.1279","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220898","8.7673","0.0018","16.732","0.003","21.574","0.004","90","","90","","90","","3164.8","1","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","","- C19 H12 Br2 Cl N -","- C19 H12 Br2 Cl N -","- C152 H96 Br16 Cl8 N8 -","8","1","RN2052","Cui, Jian-lan; Duan, Mei; Cai, Liu-qing","3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2009","65","2","o215","","10.1107/S1600536808042815","","","0.71073","MoKα","","0.0602","0.0474","","","0.1023","0.1081","","","","","","1.102","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220910","8.55","0.001","15.8676","0.0018","18.593","0.002","90","","90","","90","","2522.5","0.5","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[2-(Hydroxymethyl)phenyl]-1-phenylethanol","","- C15 H16 O2 -","- C15 H16 O2 -","- C120 H128 O16 -","8","1","SI2148","Manivel, P.; Hathwar, Venkatesha R.; Mohanaroopan, S.; Prabakaran, K.; Khan, F. Nawaz","2-[2-(Hydroxymethyl)phenyl]-1-phenylethanol","Acta Crystallographica Section E","2009","65","2","o406","","10.1107/S1600536809003043","","","0.71073","MoKα","","0.0789","0.0477","","","0.0906","0.1004","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220931","12.7906","0.0002","7.7731","0.0001","14.4354","0.0003","90","","90","","90","","1435.21","0.04","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Hydrazino-2-(methylsulfanyl)pyrimidine","","- C5 H8 N4 S -","- C5 H8 N4 S -","- C40 H64 N32 S8 -","8","1","TK2360","Fun, Hoong-Kun; Razak, Ibrahim Abdul; Adhikari, Adithya; Kalluraya, Balakrishna","4-Hydrazino-2-(methylsulfanyl)pyrimidine","Acta Crystallographica Section E","2009","65","2","o422","","10.1107/S1600536809003286","","","0.71073","MoKα","","0.039","0.032","","","0.082","0.087","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220936","8.79263","0.00011","9.79795","0.0001","10.08393","0.00011","90","","90","","90","","868.728","0.017","298","","298","","","","","","","","Mt. Cobalt, Cloncurry District, Queensland, Australia","5","P b c a","-P 2ac 2ab","61","","aluminium orthoarsenate(V) dihydrate","Mansfieldite","- Al0.95 As Co0.05 H4 O6 -","- Al0.95 As Co0.05 H4 O6 -","- Al7.6 As8 Co0.4 H32 O48 -","8","1","WM2209","Zoppi, Matteo; Pratesi, Giovanni","Rietveld refinement of a natural cobaltian mansfieldite from synchrotron data","Acta Crystallographica Section E","2009","65","2","i6","i7","10.1107/S1600536808044127","","","0.6878","synchrotron","","","","","","","","","","1.31","","","","","","","has coordinates","282548","2023-04-10","20:38:56",""
"2220986","12.7737","0.0003","8.8047","0.0002","31.2345","0.0007","90","","90","","90","","3512.9","0.14","294","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-benzyl-3-furoyl-1-phenylthiourea","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C152 H128 N16 O16 S8 -","8","1","BQ2112","Estévez-Hernández, O.; Corrêa, Rodrigo S.; Ellena, J.; Duque, J.","Redetermination of 1-benzyl-3-furoyl-1-phenylthiourea","Acta Crystallographica Section E","2009","65","3","o648","","10.1107/S1600536808044085","","","0.71073","MoKα","","","0.041","","","","0.1137","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220987","7.2693","0.0013","13.0037","0.0019","25.2711","0.0016","90","","90","","90","","2388.8","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C104 H72 Cl16 N8 O8 -","8","1","BQ2118","Zhang, Xinli","4-Chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenol","Acta Crystallographica Section E","2009","65","3","o512","","10.1107/S1600536809003924","","","0.71073","MoKα","","0.0625","0.0372","","","0.0811","0.0992","","","","","","1.083","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220997","14.7393","0.0004","10.7465","0.0003","25.4251","0.0007","90","","90","","90","","4027.23","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H15 Br N4 -","- C25 H15 Br N4 -","- C200 H120 Br8 N32 -","8","1","BT2842","Ramesh, P.; Subbiahpandi, A.; Thirumurugan, P.; Perumal, Paramasivan T.; Ponnuswamy, M. N.","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","Acta Crystallographica Section E","2009","65","3","o450","","10.1107/S1600536809001354","","","0.71073","MoKα","","0.0934","0.0401","","","0.0949","0.1202","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220999","14.7247","0.001","9.2803","0.0007","23.0393","0.0016","90","","90","","90","","3148.3","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-one","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","BT2850","Asghar, Muhammad Nadeem; Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Shafiq, Muhammad","3,5-Dimethyl-2,6-diphenyl-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-one","Acta Crystallographica Section E","2009","65","3","o463","","10.1107/S1600536809001792","","","0.71073","MoKα","","0.1714","0.0495","","","0.1097","0.1627","","","","","","0.924","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221000","9.2966","0.0007","8.1966","0.0005","30.5738","0.0019","90","","90","","90","","2329.7","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[2-(4-Fluorophenyl)-1<i>H</i>-pyrrol-3-yl]pyridine","","- C15 H11 F N2 -","- C15 H11 F N2 -","- C120 H88 F8 N16 -","8","1","BT2858","Abu Thaher, Bassam; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-[2-(4-Fluorophenyl)-1<i>H</i>-pyrrol-3-yl]pyridine","Acta Crystallographica Section E","2009","65","3","o457","","10.1107/S160053680900364X","","","1.54178","CuKα","","0.0543","0.0415","","","0.1108","0.1199","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221003","15.39","0.0012","10.1269","0.0007","28.233","0.002","90","","90","","90","","4400.2","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methoxy-9-phenylsulfonyl-2-(2-thienyl)-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole","","- C25 H17 N O3 S3 -","- C25 H17 N O3 S3 -","- C200 H136 N8 O24 S24 -","8","1","BT2862","Chakkaravarthi, G.; Marx, A.; Dhayalan, V.; Mohanakrishnan, A. K.; Manivannan, V.","6-Methoxy-9-phenylsulfonyl-2-(2-thienyl)-9<i>H</i>-thieno[2,3-<i>b</i>]carbazole","Acta Crystallographica Section E","2009","65","3","o464","o465","10.1107/S1600536809003493","","","0.71073","MoKα","","0.0826","0.0527","","","0.148","0.1753","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221027","16.672","0.0003","15.1689","0.0004","20.3777","0.0004","90","","90","","90","","5153.44","0.19","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[<i>N</i>,<i>N</i>-Bis(diphenylphosphino)isopropylamine]dibromidonickel(II)","","- C27 H27 Br2 N Ni P2 -","- C27 H27 Br2 N Ni P2 -","- C216 H216 Br16 N8 Ni8 P16 -","8","1","CI2764","Hapke, Marko; Wöhl, Anina; Peitz, Stephan; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","[<i>N</i>,<i>N</i>-Bis(diphenylphosphino)isopropylamine]dibromidonickel(II)","Acta Crystallographica Section E","2009","65","3","m252","","10.1107/S1600536809003936","","","0.71073","MoKα","","0.0679","0.0356","","","0.0581","0.0641","","","","","","0.885","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221111","12.155","0.001","8.3819","0.0009","18.335","0.002","90","","90","","90","","1868","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane","","- C20 H16 Br4 -","- C20 H16 Br4 -","- C80 H64 Br16 -","4","0.5","IM2094","Clément, Sébastien; Guyard, Laurent; Knorr, Michael; Däschlein, Christian; Strohmann, Carsten","4,12-Bis(2,2-dibromovinyl)[2.2]paracyclophane","Acta Crystallographica Section E","2009","65","3","o528","","10.1107/S1600536809002475","","","0.71073","MoKα","","0.0397","0.0319","","","0.0699","0.0732","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221113","9.217","0.002","8.1064","0.0005","30.665","0.005","90","","90","","90","","2291.2","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[5-(4-Fluorophenyl)-1<i>H</i>-imidazol-4-yl]pyridine","","- C14 H10 F N3 -","- C14 H10 F N3 -","- C112 H80 F8 N24 -","8","1","IM2099","Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","4-[5-(4-Fluorophenyl)-1<i>H</i>-imidazol-4-yl]pyridine","Acta Crystallographica Section E","2009","65","3","o573","","10.1107/S1600536809005650","","","1.54178","CuKα","","0.0891","0.0764","","","0.1891","0.201","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221181","13.2762","0.0003","8.87","0.0002","27.1997","0.0005","90","","90","","90","","3203.03","0.12","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(1-Naphthyl)-10<i>H</i>-9-oxa-1,3-diazaanthracen-4-amine","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","1","SJ2571","Fun, Hoong-Kun; Chantrapromma, Suchada; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.","<i>N</i>-(1-Naphthyl)-10<i>H</i>-9-oxa-1,3-diazaanthracen-4-amine","Acta Crystallographica Section E","2009","65","3","o523","o524","10.1107/S1600536809004693","","","0.71073","MoKα","","0.0647","0.0454","","","0.1272","0.1422","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221203","13.7421","0.0002","18.0682","0.0003","18.6113","0.0004","90","","90","","90","","4621.09","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-2-methylquinolin-8-olato)- κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>- bis[(acetato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C24 H22 N2 O6 Pb2 -","- C24 H22 N2 O6 Pb2 -","- C192 H176 N16 O48 Pb16 -","8","1","TK2364","Mohammadnezhad Sh., Gholamhossein; Amini, Mostafa M.; Ng, Seik Weng","Bis(μ-2-methylquinolin-8-olato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>O</i>-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2009","65","3","m260","","10.1107/S1600536809003560","","","0.71073","MoKα","","0.07","0.046","","","0.104","0.115","","","","","","1.45","","","","has coordinates,has Fobs","194583","2020-10-21","18:00:00",""
"2221290","6.0062","0.0004","9.8036","0.0006","44.943","0.004","90","","90","","90","","2646.4","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dimethylphenyl)-2-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","BT2892","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Rodrigues, Vinola Zeena; Fuess, Hartmut","<i>N</i>-(2,4-Dimethylphenyl)-2-methylbenzamide","Acta Crystallographica Section E","2009","65","4","o826","","10.1107/S1600536809009830","","","0.71073","MoKα","","0.1197","0.0984","","","0.2318","0.2413","","","","","","1.137","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221308","12.932","0.002","8.756","0.002","25.784","0.003","90","","90","","90","","2919.6","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-3-methoxybenzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","BX2198","Li, Cong-Ming; Ban, Hong-Yan","(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-3-methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","4","o876","","10.1107/S1600536809010228","","","0.71073","MoKα","","0.0979","0.0572","","","0.1261","0.1447","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221316","14.4004","0.0015","8.1553","0.001","28.593","0.003","90","","90","","90","","3357.9","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Cl2 O -","- C20 H16 Cl2 O -","- C160 H128 Cl16 O8 -","8","1","CV2518","Liu, Deyun","2,6-Bis(2-chlorobenzylidene)cyclohexanone","Acta Crystallographica Section E","2009","65","4","o694","","10.1107/S1600536809007648","","","0.71073","MoKα","","0.0968","0.0446","","","0.0917","0.1239","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221351","5.3232","0.0001","12.2981","0.0003","20.8148","0.0005","90","","90","","90","","1362.65","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-2-Oxocyclopentaneacetic acid","","- C7 H10 O3 -","- C7 H10 O3 -","- C56 H80 O24 -","8","1","FL2241","Efthimiopoulos, Georgia; Papadakis, Markos M.; Thompson, Hugh W.; Lalancette, Roger A.","(±)-2-Oxocyclopentaneacetic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica Section E","2009","65","4","o937","","10.1107/S1600536809010708","","","1.54178","CuKα","","0.034","0.033","","","0.085","0.086","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221359","20.218","0.004","7.538","0.002","20.699","0.004","90","","90","","90","","3154.6","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","lophine","2,4,5-triphenyl-1<i>H</i>-imidazole","","- C21 H16 N2 -","- C21 H16 N2 -","- C168 H128 N16 -","8","1","HB2915","Yanover, Diana; Kaftory, Menahem","Lophine (2,4,5-triphenyl-1<i>H</i>-imidazole)","Acta Crystallographica Section E","2009","65","4","o711","","10.1107/S1600536809006552","","","0.71073","MoKα","","0.2032","0.0884","","","0.2228","0.2452","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221398","6.9134","0.0004","17.6934","0.0011","24.9073","0.0015","90","","90","","90","","3046.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[6-Thioxo-5-(2,4,6-trimethylphenyl)-1,3,5-thiadiazinan-3-yl]acetic acid","","- C14 H18 N2 O2 S2 -","- C14 H18 N2 O2 S2 -","- C112 H144 N16 O16 S16 -","8","1","HK2650","Arfan, Mohammad; Tahir, M. Nawaz; Shah, Muhammad Ishaq Ali; Khan, Rassol; Iqbal, Mohammad S.","2-[6-Thioxo-5-(2,4,6-trimethylphenyl)-1,3,5-thiadiazinan-3-yl]acetic acid","Acta Crystallographica Section E","2009","65","4","o902","","10.1107/S1600536809011027","","","0.71073","MoKα","","0.118","0.0462","","","0.0987","0.132","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221405","12.15","0.002","8.9578","0.0015","22.026","0.004","90","","90","","90","","2397.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(1,3-Benzothiazol-2-yl)iminomethyl]phenol","","- C14 H10 N2 O S -","- C14 H10 N2 O S -","- C112 H80 N16 O8 S8 -","8","1","IS2387","Liu, Si-Quan; Bi, Cai-Feng; Chen, Liang-Yu; Fan, Yu-Hua","2-[(1,3-Benzothiazol-2-yl)iminomethyl]phenol","Acta Crystallographica Section E","2009","65","4","o738","","10.1107/S1600536809007934","","","0.71073","MoKα","","0.055","0.0447","","","0.1064","0.1129","","","","","","1.063","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221424","20.045","0.002","13.2042","0.0019","24.253","0.003","90","","90","","90","","6419.2","1.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2,3,4-Trimethoxy-6-methylbenzylideneamino)phenol","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C272 H304 N16 O64 -","16","2","LH2773","Wang, Cheng-Yun","4-(2,3,4-Trimethoxy-6-methylbenzylideneamino)phenol","Acta Crystallographica Section E","2009","65","4","o741","","10.1107/S1600536809008046","","","0.71073","MoKα","","0.1661","0.0629","","","0.1311","0.2061","","","","","","1.12","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221463","12.1591","0.0004","13.0708","0.0004","18.5125","0.0007","90","","90","","90","","2942.18","0.17","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-3-<i>p</i>-tolyl-1,3-thiazolidin-4-one","","- C16 H14 Cl N O S -","- C16 H14 Cl N O S -","- C128 H112 Cl8 N8 O8 S8 -","8","1","NG2565","Sun, Xiao-Jun; Zhou, Jian-Feng; Zhang, Zai-Chao; Wang, Yu-Jie","2-(4-Chlorophenyl)-3-<i>p</i>-tolyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2009","65","4","o874","","10.1107/S1600536809010307","","","0.71073","MoKα","","0.0771","0.0435","","","0.0989","0.1147","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221464","14.215","0.005","12.733","0.005","17.575","0.006","90","","90","","90","","3181","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridoiodido(1,10-phenanthroline)platinum(IV) hemi[di(chloride/iodide)]","","- C12 H8 Cl3.72 I1.28 N2 Pt -","- C12 H8 Cl3.723 I1.277 N2 Pt -","- C96 H64 Cl29.784 I10.216 N16 Pt8 -","8","1","PK2156","Kim, Nam-Ho; Ha, Kwang","Tetra(chlorido/iodido)(1,10-phenanthroline)platinum(IV) hemi[di(chlorine/iodine)]","Acta Crystallographica Section E","2009","65","4","m379","","10.1107/S1600536809007703","","","0.71073","MoKα","","0.0567","0.0312","","","0.0563","0.0621","","","","","","0.86","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221508","8.4327","0.0017","15.116","0.003","16.702","0.003","90","","90","","90","","2129","0.7","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","SJ2599","Zhang, Tingting; Zhang, Tao; Ren, Yingtao; Liang, Hongze","2,2'-(2,2'-Biimidazole-1,1'-diyl)diethanoic acid","Acta Crystallographica Section E","2009","65","4","o904","","10.1107/S1600536809010897","","","0.71073","MoKα","","0.0378","0.0324","","","0.0823","0.0856","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221545","10.0057","0.0008","7.9828","0.0007","17.6199","0.0014","90","","90","","90","","1407.4","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)pyridine","","- C8 H9 N3 -","- C8 H9 N3 -","- C64 H72 N24 -","8","1","WN2314","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","2-(4,5-Dihydro-1<i>H</i>-imidazol-2-yl)pyridine","Acta Crystallographica Section E","2009","65","4","o780","","10.1107/S1600536809009131","","","0.71073","MoKα","","0.082","0.0512","","","0.1231","0.1463","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221552","13.014","0.003","9.94","0.002","17.417","0.004","90","","90","","90","","2253","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tert-butyl 2-borono-1<i>H</i>-pyrrole-1-carboxylate","","- C9 H14 B N O4 -","- C9 H14 B N O4 -","- C72 H112 B8 N8 O32 -","8","1","XU2484","Zhong, Zheng; Lin, Guo-Qiang; Sun, Zhi-Hua; Wang, Bing","<i>tert</i>-Butyl 2-borono-1<i>H</i>-pyrrole-1-carboxylate","Acta Crystallographica Section E","2009","65","4","o687","","10.1107/S1600536809007375","","","0.71073","MoKα","","0.0766","0.0416","","","0.0937","0.1058","","","","","","0.846","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221568","7.7646","0.0007","16.304","0.002","18.993","0.002","90","","90","","90","","2404.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(5-Bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","","- C11 H9 Br O4 S -","- C11 H9 Br O4 S -","- C88 H72 Br8 O32 S8 -","8","1","ZL2184","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(5-Bromo-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2009","65","4","o726","","10.1107/S1600536809008101","","","0.71073","MoKα","","0.0539","0.0358","","","0.0835","0.0936","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221589","7.9967","0.0009","11.92","0.0013","19.721","0.002","90","","90","","90","","1879.8","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-guanidinobenzenesulfonic acid","4-{[amino(inimio)methyl]amino}benzenesulfonate","","- C7 H9 N3 O3 S -","- C7 H9 N3 O3 S -","- C56 H72 N24 O24 S8 -","8","1","BQ2128","Wang, Wei-Feng; Wei, Chang-Mei; Zhu, Hong-Jun","4-Guanidinobenzenesulfonic acid","Acta Crystallographica Section E","2009","65","5","o980","","10.1107/S1600536809012355","","","0.71073","MoKα","","0.0623","0.0394","","","0.0964","0.1097","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221623","10.5192","0.0003","9.9839","0.0003","40.8415","0.0012","90","","90","","90","","4289.3","0.2","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-[4-(Decyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C25 H32 O3 -","- C25 H32 O3 -","- C200 H256 O24 -","8","1","CI2782","Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ngaini, Zainab; Rahman, Norashikin Irdawaty Abd; Hussain, Hasnain","(<i>E</i>)-3-[4-(Decyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","5","o1092","o1093","10.1107/S160053680901441X","","","0.71073","MoKα","","0.1009","0.0641","","","0.1124","0.132","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221637","7.296","0.003","17.117","0.004","29.651","0.003","90","","90","","90","","3703","1.8","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(1-benzyl-1<i>H</i>-imidazole)dichloridonickel(II)","","- C40 H40 Cl2 N8 Ni -","- C40 H40 Cl2 N8 Ni -","- C160 H160 Cl8 N32 Ni4 -","4","0.5","CV2549","Li, Hongjuan; Sun, Jufeng; Dai, Xianping","Tetrakis(1-benzyl-1<i>H</i>-imidazole)dichloridonickel(II)","Acta Crystallographica Section E","2009","65","5","m564","","10.1107/S1600536809014494","","","0.71073","MoKα","","0.2068","0.0791","","","0.1783","0.2307","","","","","","1.144","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221642","19.62","0.002","12.8763","0.0013","20.698","0.002","90","","90","","90","","5229","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Diethyl ether){1-[2-(1-methyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1,1- diphenylethyl]-(1,2,3,3a,7a-η)-indenyl}lithium(I)","","- C31 H33 Li N2 O -","- C31 H33 Li N2 O -","- C248 H264 Li8 N16 O8 -","8","1","DN2437","Sun, Guofeng; Tian, Chong; Nie, Wanli; Borzov, Maxim V.","(Diethyl ether){1-[2-(1-methyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1,1-diphenylethyl]-(1,2,3,3a,7a-η)-indenyl}lithium(I)","Acta Crystallographica Section E","2009","65","5","m478","","10.1107/S1600536809011556","","","0.71073","MoKα","","0.1114","0.0481","","","0.1315","0.1522","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221643","8.4656","0.0002","9.4848","0.0002","31.0957","0.0009","90","","90","","90","","2496.81","0.11","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethylphenyl)benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","DN2440","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Sowmya, B. P.; Fuess, Hartmut","<i>N</i>-(2,3-Dimethylphenyl)benzamide","Acta Crystallographica Section E","2009","65","5","o965","","10.1107/S1600536809012112","","","0.71073","MoKα","","0.0801","0.0515","","","0.1367","0.1461","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221713","13.39","0.003","10.465","0.002","20.768","0.004","90","","90","","90","","2910.1","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Benzyloxy-5-methoxy-2-nitrophenyl)ethanone","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C128 H120 N8 O40 -","8","1","HK2654","Gao, Lei; Guo, Li-hua; Liu, Rui; Que, Dan-hua; Ma, Hong-fei","1-(4-Benzyloxy-5-methoxy-2-nitrophenyl)ethanone","Acta Crystallographica Section E","2009","65","5","o1005","","10.1107/S1600536809011532","","","0.71073","MoKα","","0.1268","0.0708","","","0.1827","0.2225","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221718","9.301","0.0019","7.649","0.0015","31.394","0.006","90","","90","","90","","2233.5","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(4-isopropoxyphenyl)acetamide","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","HK2659","Zhang, Min; Lu, Ran-Zhe; Han, Lu-Na; Wei, Wen-Bin; Wang, Hai-Bo","<i>N</i>-(4-Isopropoxyphenyl)acetamide","Acta Crystallographica Section E","2009","65","5","o1017","","10.1107/S1600536809012665","","","0.71073","MoKα","","0.1257","0.0678","","","0.1723","0.2018","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221719","15.379","0.003","8.282","0.0017","17.374","0.004","90","","90","","90","","2212.9","0.8","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-bromo-1-mesitylethanone","","- C11 H13 Br O -","- C11 H13 Br O -","- C88 H104 Br8 O8 -","8","1","HK2660","Chen, Lei; Xu, Qing-Bing; Song, Guang-Liang; Zhu, Hong-Jun","2-Bromo-1-mesitylethanone","Acta Crystallographica Section E","2009","65","5","o1083","","10.1107/S1600536809012276","","","0.71073","MoKα","","0.1981","0.0637","","","0.0732","0.0946","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221734","10.0683","0.0001","15.464","0.0002","16.3436","0.0002","90","","90","","90","","2544.64","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetranitrobiphenyl","","- C12 H6 N4 O8 -","- C12 H6 N4 O8 -","- C96 H48 N32 O64 -","8","1","IM2105","Hammond, N.; Carvalho, P.; Wu, Y.; Avery, M. A.","3,3',5,5'-Tetranitrobiphenyl","Acta Crystallographica Section E","2009","65","5","o1052","o1053","10.1107/S1600536809011088","","","1.54178","CuKα","","0.0304","0.0303","","","0.0807","0.0809","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221755","8.2143","0.0004","9.6296","0.0003","16.8088","0.0007","90","","90","","90","","1329.58","0.09","153","1","153","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Bis(1<i>H</i>-benzimidazol-2-yl)-2-oxapropane","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","0.5","LH2795","Chen, Ying; Guo, Jixi; Yun, Ruirui; Wu, Huilu","1,3-Bis(1<i>H</i>-benzimidazol-2-yl)-2-oxapropane","Acta Crystallographica Section E","2009","65","5","o948","","10.1107/S1600536809011507","","","0.71073","MoKα","","0.0556","0.0425","","","0.1011","0.1116","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221767","14.9638","0.0006","6.3639","0.0002","28.2466","0.0012","90","","90","","90","","2689.87","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methoxyphenyl)-3-phenyl-1<i>H</i>-pyrazol-5-amine","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","1","LH2810","Kumarasinghe, Isuru R.; Hruby, Victor J.; Nichol, Gary S.","1-(4-Methoxyphenyl)-3-phenyl-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2009","65","5","o1170","","10.1107/S1600536809015463","","","0.71073","MoKα","","0.0625","0.0436","","","0.1008","0.1113","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221834","5.4777","0.0006","13.6049","0.0012","21.7278","0.0018","90","","90","","90","","1619.2","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-(Hexane-1,6-diyldioxy)dianiline","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","0.5","TK2416","Khan, Muhammad Saif Ullah; Akhter, Zareen; Bolte, Michael; Siraj, Amna; Siddiqi, Humaira M.","4,4'-(Hexane-1,6-diyldioxy)dianiline","Acta Crystallographica Section E","2009","65","5","o1096","","10.1107/S160053680901321X","","","0.71073","MoKα","","0.055","0.039","","","0.097","0.103","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221836","7.385","0.001","14.073","0.0004","30.563","0.0009","90","","90","","90","","3176.4","0.4","295","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-1<i>H</i>-anthraceno[1,2-<i>d</i>]imidazole-6,11-dione","","- C22 H14 N2 O2 -","- C22 H14 N2 O2 -","- C176 H112 N16 O16 -","8","1","TK2418","Guimarães, Tiago T.; Da Silva Júnior, Eufrânio N.; Carvalho, Carlos Eduardo M.; De Simone, Carlos A.; Pinto, Antonio V.","2-(4-Methylphenyl)-1<i>H</i>-anthraceno[1,2-<i>d</i>]imidazole-6,11-dione: a fluorescent chemosensor","Acta Crystallographica Section E","2009","65","5","o1063","","10.1107/S1600536809013634","","","0.71073","MoKα","","0.106","0.06","","","0.13","0.155","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221856","11.6378","0.0004","9.3228","0.0004","25.0592","0.0009","90","","90","","90","","2718.85","0.18","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[1-(1-Naphthyl)-1<i>H</i>-1,2,3-triazol-4-yl]pyridine","","- C17 H12 N4 -","- C17 H12 N4 -","- C136 H96 N32 -","8","1","WN2322","Happ, Bobby; Hoogenboom, Richard; Winter, Andreas; Hager, Martin D.; Baumann, Stefan O.; Kickelbick, Guido; Schubert, Ulrich S.","2-[1-(1-Naphthyl)-1<i>H</i>-1,2,3-triazol-4-yl]pyridine","Acta Crystallographica Section E","2009","65","5","o1146","","10.1107/S160053680901407X","","","0.71073","MoKα","","0.0471","0.035","","","0.1036","0.1196","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221886","7.457","0.004","11.072","0.006","31.063","0.018","90","","90","","90","","2565","2","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 F O2 -","- C16 H13 F O2 -","- C128 H104 F8 O16 -","8","1","AT2773","Zhao, Pu-Su; Wang, Xian; Guo, Huan-Mei; Jian, Fang-Fang","3-(4-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","6","o1402","","10.1107/S1600536809018121","","","0.71073","MoKα","","0.0593","0.0391","","","0.1025","0.1159","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221911","19.434","0.012","13.186","0.007","22.149","0.011","90","","90","","90","","5676","5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1-Adamantyl){4-[(2-chloro-9-isopropyl-9<i>H</i>-purin-6- yl)aminomethyl]phenyl}methanone trichloromethane solvate","","- C27 H31 Cl4 N5 O -","- C27 H31 Cl4 N5 O -","- C216 H248 Cl32 N40 O8 -","8","1","BI2361","Rouchal, Michal; Nečas, Marek; Vícha, Robert","(1-Adamantyl){4-[(2-chloro-9-isopropyl-9<i>H</i>-purin-6-yl)aminomethyl]phenyl}methanone trichloromethane solvate","Acta Crystallographica Section E","2009","65","6","o1268","","10.1107/S1600536809016596","","","0.71073","MoKα","","0.1171","0.0497","","","0.1232","0.1772","","","","","","1.12","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221926","12.6184","0.0003","9.7774","0.0002","29.7991","0.0006","90","","90","","90","","3676.47","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[(2-Hydroxyethyl)iminomethyl]-1,1'-bi-2-naphthol","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C184 H152 N8 O24 -","8","1","BT2938","Zhang, Yu; Wang, Kun; Zhong, Ling-Zhi; Li, Rui-Xiang","3-[(2-Hydroxyethyl)iminomethyl]-1,1'-bi-2-naphthol","Acta Crystallographica Section E","2009","65","6","o1226","","10.1107/S1600536809016407","","","0.71073","MoKα","","0.1489","0.0545","","","0.1059","0.1346","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221967","10.632","0.002","14.559","0.003","18.257","0.004","90","","90","","90","","2826","1","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3'-[(<i>tert</i>-Butoxycarbonyl)azanediyl]dipropanoic acid","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C88 H152 N8 O48 -","8","1","CI2799","Tao, Yuan; Liang, Yu-Feng; Guo, Xiao-Qiang; Mao, Zhi-Hua; Qi, Qing-Rong","3,3'-[(<i>tert</i>-Butoxycarbonyl)azanediyl]dipropanoic acid","Acta Crystallographica Section E","2009","65","6","o1408","","10.1107/S1600536809018911","","","0.71073","MoKα","","0.1759","0.0538","","","0.1334","0.1705","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221980","12.6","0.005","15.498","0.006","15.574","0.005","90","","90","","90","","3041.2","1.9","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","dichlorido[<i>N</i>,<i>N</i>-dimethyl-2-(η^5^- tetramethylcyclopentadienyl)acetamidinido-κ<i>N</i>']titanium(IV)","","- C13 H20 Cl2 N2 Ti -","- C13 H20 Cl2 N2 Ti -","- C104 H160 Cl16 N16 Ti8 -","8","1","CV2554","Guo, Donglong; Tong, Hong-Bo; Zhou, Meisu","The <i>ansa</i>-bridged cyclopentadienyl titanium complex [{η^5^-C~5~Me~4~CH~2~-C(NMe~2~)=N}TiCl~2~]","Acta Crystallographica Section E","2009","65","6","m611","","10.1107/S1600536809015839","","","0.71073","MoKα","","0.0594","0.0555","","","0.1148","0.1166","","","","","","1.269","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221991","13.839","0.003","7.013","0.007","19.469","0.01","90","","90","","90","","1890","2","296","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(4-Pyridyl)benzoic acid","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","DN2447","Xing, Jianxin","3-(4-Pyridyl)benzoic acid","Acta Crystallographica Section E","2009","65","6","o1239","","10.1107/S1600536809015530","","","0.71069","MoKα","","0.0832","0.0447","","","0.1156","0.1354","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222026","8.7711","0.0003","12.7193","0.0007","12.9289","0.0006","90","","90","","90","","1442.38","0.11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Ammonio-4-hydroxybenzoate monohydrate","","- C7 H9 N O4 -","- C7 H9 N O4 -","- C56 H72 N8 O32 -","8","1","HB2969","Ullah, Sami; Tahir, M. Nawaz; Shahwar, Durre; Khan, Zaheer-ud-Din; Khan, Muhammad Akmal","3-Ammonio-4-hydroxybenzoate monohydrate","Acta Crystallographica Section E","2009","65","6","o1304","","10.1107/S1600536809017462","","","0.71073","MoKα","","0.0635","0.0424","","","0.1069","0.1178","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222034","13.2684","0.0009","12.4293","0.0009","20.2231","0.0015","90","","90","","90","","3335.1","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-(1-Adamantyl)-3-(2-fluorophenyl)-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","","- C19 H19 F N4 S -","- C19 H19 F N4 S -","- C152 H152 F8 N32 S8 -","8","1","HB2984","Khan, Mahmood-ul-Hassan; Hameed, Shahid; Tahir, M. Nawaz; Bokhari, Tanveer Hussain; Khan, Islam Ullah","6-(1-Adamantyl)-3-(2-fluorophenyl)-1,2,4-triazolo[3,4-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2009","65","6","o1437","","10.1107/S1600536809019692","","","0.71073","MoKα","","0.0746","0.0468","","","0.1168","0.1361","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222043","14.4478","0.0002","12.3681","0.0001","18.3551","0.0002","90","","90","","90","","3279.91","0.06","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tin(IV) 1,2-dichloroethane hemisolvate","","- C13 H10 Cl5 N2 Sn -","- C13 H10 Cl5 N2 Sn -","- C104 H80 Cl40 N16 Sn8 -","8","1","HG2511","Momeni, Badri Z.; Rominger, Frank; Hosseini, Simin S.","Tetrachlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tin(IV) 1,2-dichloroethane hemisolvate","Acta Crystallographica Section E","2009","65","6","m690","","10.1107/S1600536809017346","","","0.71073","MoKα","","0.0485","0.0324","","","0.0774","0.0851","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222048","6.6583","0.0013","13.826","0.003","24.3","0.005","90","","90","","90","","2237","0.8","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Carboxy-1-phenylethanaminium perchlorate","","- C9 H12 Cl N O6 -","- C9 H12 Cl N O6 -","- C72 H96 Cl8 N8 O48 -","8","1","HK2675","Li, Xiu-Zhi; Li, Hui; Qu, Zhi-Rong","2-Carboxy-1-phenylethanaminium perchlorate","Acta Crystallographica Section E","2009","65","6","o1214","","10.1107/S1600536809016171","","","0.71073","MoKα","","0.0719","0.0526","","","0.1033","0.1103","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222056","11.1653","0.0009","8.0295","0.0005","22.3714","0.0018","90","","90","","90","","2005.6","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Phenylmethanaminium chloroacetate","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C72 H96 Cl8 N8 O16 -","8","1","HK2686","Shahwar, Durre; Tahir, M. Nawaz; Ahmad, Naeem; Khan, Muhammad Akmal; Yasmeen, Asma","Phenylmethanaminium chloroacetate","Acta Crystallographica Section E","2009","65","6","o1312","","10.1107/S1600536809017802","","","0.71073","MoKα","","0.0819","0.043","","","0.1037","0.1214","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222083","19.538","0.004","10.104","0.002","20.735","0.004","90","","90","","90","","4093.3","1.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,7-Trimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C176 H224 N32 O16 -","16","2","JH2079","Zhang, Ling; Shi, Daxin; Fan, Yanqiu; Qian, Dongfeng; Li, Jiarong","2,2,7-Trimethyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2009","65","6","o1345","","10.1107/S1600536809018480","","","0.71073","MoKα","","0.0471","0.0428","","","0.1153","0.1189","","","","","","1.065","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222107","13.872","0.0008","16.511","0.0011","22.812","0.0016","90","","90","","90","","5224.9","0.6","293","","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chloroacetyl)-3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidine-4-one","","- C26 H32 Cl N O8 -","- C26 H32 Cl N O8 -","- C208 H256 Cl8 N8 O64 -","8","1","NC2143","Lakshminarayana, B. N.; Shashidhara Prasad, J.; Gnanendra, C. R.; Sridhar, M. A.; Chenne Gowda, D.","1-(2-Chloroacetyl)-3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidine-4-one","Acta Crystallographica Section E","2009","65","6","o1237","","10.1107/S1600536809015864","","","0.71073","MoKα","","0.0906","0.0616","","","0.166","0.186","","","","","","1.048","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222117","12.9848","0.0007","11.2625","0.0006","19.0037","0.001","90","","90","","90","","2779.1","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1-(1-Adamantylamino)ethylidene]oxonium methanesulfonate","","- C13 H23 N O4 S -","- C13 H23 N O4 S -","- C104 H184 N8 O32 S8 -","8","1","PK2161","Vícha, Robert; Nečas, Marek; Kozubková, Zuzana; Potáček, Milan","[1-(1-Adamantylamino)ethylidene]oxonium methanesulfonate","Acta Crystallographica Section E","2009","65","6","o1307","","10.1107/S1600536809017632","","","0.71073","MoKα","","0.0454","0.0337","","","0.0913","0.1017","","","","","","1.093","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222147","13.066","0.003","13.416","0.003","21.987","0.004","90","","90","","90","","3854.2","1.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[9-Ethyl-6-(2-methylbenzoyl)-9<i>H</i>-carbazol-3-yl]ethanone","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","SU2106","Hang, Ye-Chao; Ji, Jin-Xiu; Chen, Min-Dong","1-[9-Ethyl-6-(2-methylbenzoyl)-9<i>H</i>-carbazol-3-yl]ethanone","Acta Crystallographica Section E","2009","65","6","o1198","","10.1107/S1600536809016080","","","0.71073","MoKα","","0.1724","0.068","","","0.1392","0.1782","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222149","7.2713","0.001","12.6671","0.0018","20.458","0.003","90","","90","","90","","1884.3","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-(6-methyl-2-pyridyl)methylene]hexane- 1,6-diamine","","- C20 H26 N4 -","- C20 H26 N4 -","- C80 H104 N16 -","4","0.5","SU2109","Ramos Silva, Manuela; Silva, Joana A.; Matos Beja, Ana; Sobral, Abilio J. F.N.","<i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-(6-methyl-2-pyridyl)methylene]hexane-1,6-diamine","Acta Crystallographica Section E","2009","65","6","o1255","","10.1107/S1600536809016730","","","0.71073","MoKα","","0.2091","0.0562","","","0.1253","0.1841","","","","","","0.884","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222169","10.0237","0.0002","9.7695","0.0002","35.322","0.0006","90","","90","","90","","3458.96","0.12","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-[4-(Hexyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C21 H24 O3 -","- C21 H24 O3 -","- C168 H192 O24 -","8","1","TK2457","Razak, Ibrahim Abdul; Fun, Hoong-Kun; Ngaini, Zainab; Rahman, Norashikin Irdawaty Abd; Hussain, Hasnain","(<i>E</i>)-3-[4-(Hexyloxy)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","6","o1439","o1440","10.1107/S1600536809019436","","","0.71073","MoKα","","0.137","0.073","","","0.117","0.139","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222216","11.1886","0.0007","14.4464","0.0009","20.5927","0.0013","90","","90","","90","","3328.5","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-4-hydroxybenzohydrazide methanol solvate","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C128 H136 Br8 N16 O32 -","8","1","AT2817","Lin, Xue-Song; Sang, Ya-Li","<i>N</i>'-(5-Bromo-2-methoxybenzylidene)-4-hydroxybenzohydrazide methanol solvate","Acta Crystallographica Section E","2009","65","7","o1650","","10.1107/S1600536809022983","","","0.71073","MoKα","","0.0956","0.054","","","0.1557","0.1786","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222222","8.5379","0.0017","14.696","0.003","15.467","0.003","90","","90","","90","","1940.7","0.7","272","3","272","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-Bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene]bis[difluoridoboron(III)]","","- C20 H18 B2 F4 N6 -","- C20 H18 B2 F4 N6 -","- C80 H72 B8 F16 N24 -","4","0.5","BG2262","Li, Xin-Sheng; Mo, Juan; Yuan, Li; Liu, Jian-Hua; Zhang, Su-Mei","[μ-Bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene]bis[difluoridoboron(III)]","Acta Crystallographica Section E","2009","65","7","o1673","","10.1107/S1600536809022491","","","0.71073","MoKα","","0.0613","0.0453","","","0.1153","0.1273","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222243","5.1405","0.0001","17.7653","0.0003","31.3919","0.0006","90","","90","","90","","2866.79","0.09","295","","295","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Methylimidazo[1,2-<i>a</i>]pyridin-3-yl)-3,3-bis(methylsulfanyl)prop- 2-enone monohydrate","","- C13 H16 N2 O2 S2 -","- C13 H16 N2 O2 S2 -","- C104 H128 N16 O16 S16 -","8","1","BQ2145","Bibila Mayaya Bisseyou, Yvon; Sissouma, Drissa; Goulizan Bi, Severin D.; Ouattara, Mahama; Yao-Kakou, R. C. A.","1-(2-Methylimidazo[1,2-<i>a</i>]pyridin-3-yl)-3,3-bis(methylsulfanyl)prop-2-enone monohydrate","Acta Crystallographica Section E","2009","65","7","o1698","o1699","10.1107/S1600536809023514","","","0.71073","MoKα","","0.0988","0.0467","","0.1375","0.1049","0.0973","","","","","","0.9899","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222251","15.611","0.0007","9.1151","0.0005","26.8142","0.0012","90","","90","","90","","3815.5","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","","- C21 H24 N2 Ni O4 -","- C21 H24 N2 Ni O4 -","- C168 H192 N16 Ni8 O32 -","8","1","BT2968","Montazerozohori, Morteza; Habibi, Mohammad Hossein; Mokhtari, Reza; Yamane, Yuki; Suzuki, Takayoshi","{4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)","Acta Crystallographica Section E","2009","65","7","m703","","10.1107/S1600536809019965","","","0.71075","MoKα","","0.0289","0.0256","","","0.0688","0.0709","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222266","11.2074","0.0003","11.2406","0.0003","33.6082","0.0009","90","","90","","90","","4233.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine- 3',3''-pyrrolidine]-2,2'',5''-trione","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C192 H200 N24 O32 -","8","1","CI2815","Nirmala, S.; Karthikeyan, K.; Kamala, E. Theboral Sugi; Sudha, L.; Perumal, P. T.","4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione","Acta Crystallographica Section E","2009","65","7","o1655","o1656","10.1107/S1600536809021114","","","0.71073","MoKα","","0.0869","0.0489","","","0.1261","0.152","","","","","","1.072","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222272","10.1498","0.0003","11.0656","0.0003","20.7368","0.0007","90","","90","","90","","2329.03","0.12","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-Diaminopyridinium benzoate","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C96 H104 N24 O16 -","8","1","CI2821","Balasubramani, Kasthuri; Fun, Hoong-Kun","2,3-Diaminopyridinium benzoate","Acta Crystallographica Section E","2009","65","7","o1519","","10.1107/S1600536809021011","","","0.71073","MoKα","","0.0927","0.0647","","","0.1137","0.1236","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222318","11.3197","0.0006","15.2174","0.0007","15.9061","0.0008","90","","90","","90","","2739.9","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(4-aminobenzenesulfonato-κ<i>N</i>)diaquabis(dimethylformamide- κ<i>O</i>)nickel(II) dihydrate","","- C18 H34 N4 Ni O12 S2 -","- C18 H34 N4 Ni O12 S2 -","- C72 H136 N16 Ni4 O48 S8 -","4","0.5","HB2985","Tan, Jun; He, Ya-Ping; Bao, Xiao-Li","Bis(4-aminobenzenesulfonato-κ<i>N</i>)diaquabis(dimethylformamide-κ<i>O</i>)nickel(II) dihydrate","Acta Crystallographica Section E","2009","65","7","m724","m725","10.1107/S1600536809020406","","","0.71073","MoKα","","0.0388","0.0292","","","0.0701","0.0754","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222324","18.3024","0.0012","11.522","0.0008","19.8413","0.0013","90","","90","","90","","4184.1","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)bis{1,2-bis[bis(3- hydroxypropyl)phosphino]ethane-κ^2^<i>P</i>,<i>P</i>'}iron(II) dichloride","","- C32 H70 Cl2 Fe N2 O8 P4 -","- C32 H70 Cl2 Fe N2 O8 P4 -","- C128 H280 Cl8 Fe4 N8 O32 P16 -","4","0.5","HB2994","Gohdes, J. W.; Zakharov, Lev N.; Tyler, David R.","<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)bis{1,2-bis[bis(3-hydroxypropyl)phosphino]ethane-κ^2^<i>P</i>,<i>P</i>'}iron(II) dichloride","Acta Crystallographica Section E","2009","65","7","m776","","10.1107/S1600536809021758","","","0.71073","MoKα","","0.0388","0.035","","","0.0883","0.0915","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222345","7.1358","0.0009","5.9752","0.0008","29.709","0.004","90","","90","","90","","1266.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dimethyl biphenyl-4,4'-dicarboxylate","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","HG2528","Ritzerfeld, Verena; Pyrlik, Axel; Wang, Yutian; Englert, Ulli","Dimethyl biphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2009","65","7","o1677","","10.1107/S1600536809023605","","","0.71073","MoKα","","0.0624","0.0497","","","0.1351","0.1423","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222350","15.488","0.003","10.009","0.002","16.249","0.003","90","","90","","90","","2518.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-(3-chloro-2-pyridyl)-5-oxopyrazolidine-3-carboxylate","","- C11 H12 Cl N3 O3 -","- C11 H12 Cl N3 O3 -","- C88 H96 Cl8 N24 O24 -","8","1","HK2697","Tan, Hai-Jun; He, Hai-Bing; Xia, Ming; Zhang, Xiang-Ning; Zhu, Hong-Jun","Ethyl 2-(3-chloro-2-pyridyl)-5-oxopyrazolidine-3-carboxylate","Acta Crystallographica Section E","2009","65","7","o1495","","10.1107/S1600536809020789","","","0.71073","MoKα","","0.0668","0.0429","","","0.099","0.1101","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222401","16.7887","0.0005","22.9766","0.0006","32.6782","0.0009","90","","90","","90","","12605.5","0.6","85","2","85","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","Bis[(1<i>S</i>*,2<i>S</i>*)-<i>trans</i>-1,2- bis(diphenylphosphinoxy)cyclohexane]chloridoruthenium(II) trifluoromethanesulfonate dichloromethane disolvate","","- C63 H64 Cl5 F3 O7 P4 Ru S -","- C63 H64 Cl5 F3 O7 P4 Ru S -","- C504 H512 Cl40 F24 O56 P32 Ru8 S8 -","8","1","LH2843","Clark, George R.; Lensink, Cornelis; Slade, Angela T.; Wright, L. James","Bis[(1<i>S</i>*,2<i>S</i>*)-<i>trans</i>-1,2-bis(diphenylphosphinoxy)cyclohexane]chloridoruthenium(II) trifluoromethanesulfonate dichloromethane disolvate","Acta Crystallographica Section E","2009","65","7","m804","m805","10.1107/S1600536809023034","","","0.71073","MoKα","","0.1005","0.0586","","","0.1158","0.1356","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2222437","12.5712","0.0008","8.435","0.0006","16.007","0.001","90","","90","","90","","1697.35","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ~4~-3,5-dicarboxylatopyrazol-1-ido- κ^6^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^: <i>O</i>^5^,<i>O</i>^5'^)lanthanum(III)]","","- C5 H5 La N2 O6 -","- C5 H5 La N2 O6 -","- C40 H40 La8 N16 O48 -","8","1","RZ2328","Xia, Jun; Wei, Jun-Fu","Poly[diaqua(μ~4~-3,5-dicarboxylatopyrazol-1-ido-κ^6^<i>N</i>^1^,<i>O</i>^5^:<i>N</i>^2^,<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^,<i>O</i>^5'^)lanthanum(III)]","Acta Crystallographica Section E","2009","65","7","m732","","10.1107/S1600536809020479","","","0.71073","MoKα","","0.0194","0.0162","","","0.0396","0.0406","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222446","7.3886","0.0004","12.2071","0.0008","34.562","0.006","90","","90","","90","","3117.3","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-6-methoxy-2-(4-pyridyl)quinoxaline","","- C20 H14 F N3 O -","- C20 H14 F N3 O -","- C160 H112 F8 N24 O8 -","8","1","SI2176","Jahns, Hartmut; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","3-(4-Fluorophenyl)-6-methoxy-2-(4-pyridyl)quinoxaline","Acta Crystallographica Section E","2009","65","7","o1626","","10.1107/S1600536809022119","","","1.54178","CuKα","","0.0521","0.0436","","","0.1155","0.1236","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222477","11.0457","0.0001","16.8447","0.0002","19.1227","0.0002","90","","90","","90","","3558","0.06","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-Amido-3-oxidopyridinium-κ^2^<i>N</i>,<i>O</i>)dibenzylchloridotin(IV)","","- C19 H19 Cl N2 O Sn -","- C19 H19 Cl N2 O Sn -","- C152 H152 Cl8 N16 O8 Sn8 -","8","1","TK2469","Tan, Chui Lian; Lo, Kong Mun; Ng, Seik Weng","(2-Amido-3-oxidopyridinium-κ^2^<i>N</i>,<i>O</i>)dibenzylchloridotin(IV)","Acta Crystallographica Section E","2009","65","7","m721","","10.1107/S1600536809020339","","","0.71073","MoKα","","0.028","0.021","","","0.051","0.054","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222499","8.1572","0.0003","17.6371","0.0006","24.415","0.0008","90","","90","","90","","3512.6","0.2","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,4-Dinitro-2,5-bis[4-(trifluoromethyl)phenyl]thiophene","","- C18 H8 F6 N2 O4 S -","- C18 H8 F6 N2 O4 S -","- C144 H64 F48 N16 O32 S8 -","8","1","XU2528","Huang, Ping-Hsin; Shen, Jiun-Yi; Wen, Yuh-Sheng","3,4-Dinitro-2,5-bis[4-(trifluoromethyl)phenyl]thiophene","Acta Crystallographica Section E","2009","65","7","o1469","","10.1107/S1600536809020443","","","0.71073","MoKα","","0.0554","0.03","","","0.0509","0.0534","","","","","","0.804","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222514","9.808","0.002","8.5109","0.0017","20.851","0.004","90","","90","","90","","1740.5","0.6","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[chlorido(<i>N</i>,<i>N</i>-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')zinc(II)]","","- C8 H24 Cl4 N4 Zn2 -","- C8 H24 Cl4 N4 Zn2 -","- C32 H96 Cl16 N16 Zn8 -","4","0.5","ZL2193","Yu, Ming-Ming; Shi, Qiu-Zhi; Zhang, Yu-Na; Li, Zhan-Xian","Di-μ-chlorido-bis[chlorido(<i>N</i>,<i>N</i>-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]","Acta Crystallographica Section E","2009","65","7","m744","m745","10.1107/S1600536809019473","","","0.71073","MoKα","","0.0608","0.0485","","","0.1267","0.1324","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222525","7.1601","0.0009","20.039","0.003","26.592","0.003","90","","90","","90","","3815.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-4-nitrophthalato)bis[diaqua(1,10-phenanthroline)manganese(II)]","","- C40 H30 Mn2 N6 O16 -","- C40 H30 Mn2 N6 O16 -","- C160 H120 Mn8 N24 O64 -","4","0.5","AT2807","Xu, Bi-Yi; Xie, Ting; Lu, Sheng-Jun; Xue, Bin; Li, Wei","Bis(μ-4-nitrophthalato)bis[diaqua(1,10-phenanthroline)manganese(II)]","Acta Crystallographica Section E","2009","65","8","m856","m857","10.1107/S1600536809024064","","","0.71073","MoKα","","0.0547","0.0379","","","0.0949","0.1066","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222572","18.3294","0.0014","8.3139","0.0007","21.6532","0.0017","90","","90","","90","","3299.7","0.5","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-3-phenylisoquinoline","","- C20 H17 N3 -","- C20 H17 N3 -","- C160 H136 N24 -","8","1","BT2974","Manivel, P.; R. Hathwar, Venkatesha; Maiyalagan, T.; Krishnakumar, V.; Khan, F. Nawaz","1-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-3-phenylisoquinoline","Acta Crystallographica Section E","2009","65","8","o1798","","10.1107/S1600536809024842","","","0.71073","MoKα","","0.0624","0.052","","","0.1239","0.1287","","","","","","1.144","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222591","11.2918","0.0002","7.2275","0.0001","23.3359","0.0005","90","","90","","90","","1904.48","0.06","153","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(<i>o</i>-Tolyloxy)pyrimidine","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","1","BT2996","Shah Bakhtiar, Nasir; Abdullah, Zanariah; Ng, Seik Weng","2-(<i>p</i>-Tolyloxy)pyrimidine","Acta Crystallographica Section E","2009","65","8","o1859","","10.1107/S1600536809026610","","","0.71073","MoKα","","0.0477","0.0382","","","0.101","0.109","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222628","12.711","0.0004","5.8323","0.0002","23.8844","0.0007","90","","90","","90","","1770.65","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid","","- C7 H10 O7 -","- C7 H10 O7 -","- C56 H80 O56 -","8","1","CI2844","Aliyu, Lawal; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun","3-Hydroxy-3-(methoxycarbonyl)pentanedioic acid","Acta Crystallographica Section E","2009","65","8","o1843","","10.1107/S1600536809025598","","","0.71073","MoKα","","0.0458","0.0408","","","0.1038","0.1066","","","","","","1.121","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222630","14.532","0.004","12.375","0.004","17.311","0.004","90","","90","","90","","3113.1","1.5","292","2","292","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,5-Dimethoxyphenyl)-4-nitrobenzenesulfonamide","","- C14 H14 N2 O6 S -","- C14 H14 N2 O6 S -","- C112 H112 N16 O48 S8 -","8","1","CI2846","Zhang, Guo-Yao; Qian, Shan; Li, Xiao-Cen; Wu, Yong","<i>N</i>-(2,5-Dimethoxyphenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2009","65","8","o1939","","10.1107/S1600536809027962","","","0.71073","MoKα","","0.0884","0.0398","","","0.1079","0.1209","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222638","8.794","0.003","10.92","0.003","24.418","0.007","90","","90","","90","","2344.9","1.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3,4-Dimethoxybenzylidene)acetohydrazide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C88 H112 N16 O24 -","8","1","CI2855","Lv, Lu-Ping; Yu, Tie-Ming; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao","<i>N</i>'-(3,4-Dimethoxybenzylidene)acetohydrazide","Acta Crystallographica Section E","2009","65","8","o1989","","10.1107/S1600536809027366","","","0.71073","MoKα","","0.0567","0.0498","","","0.1292","0.1326","","","","","","1.101","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222680","12.502","0.003","14.835","0.003","15.049","0.003","90","","90","","90","","2791.1","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua(triethanolamine)copper(II) sulfate monohydrate","","- C6 H21 Cu N O10 S -","- C6 H21 Cu N O10 S -","- C48 H168 Cu8 N8 O80 S8 -","8","1","FJ2232","Guo, Hong-Xu; Huang, Sen-Ke; Li, Xi-Zhong","Diaqua(triethanolamine)copper(II) sulfate monohydrate","Acta Crystallographica Section E","2009","65","8","m891","","10.1107/S1600536809026166","","","0.71073","MoKα","","0.034","0.0299","","","0.0862","0.0946","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222745","9.2067","0.0008","15.0504","0.0013","16.1599","0.0014","90","","90","","90","","2239.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ~3~-8-oxidoquinoline-5-sulfonato- κ^4^<i>N</i>,<i>O</i>^8^:<i>O</i>^5^:<i>O</i>^8^)nickel(II)]","","- C9 H9 N Ni O6 S -","- C9 H9 N Ni O6 S -","- C72 H72 N8 Ni8 O48 S8 -","8","1","HY2203","Wang, Ying; Wang, Li; Xu, Jianing; Zhu, Guangshan","Poly[diaqua(μ~3~-8-oxidoquinoline-5-sulfonato-κ^4^<i>N</i>,<i>O</i>^8^:<i>O</i>^5^:<i>O</i>^8^)nickel(II)]","Acta Crystallographica Section E","2009","65","8","m902","","10.1107/S1600536809026105","","","0.71073","MoKα","","0.0373","0.0314","","","0.0765","0.0793","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222762","11.1245","0.0007","10.9248","0.0006","28.9651","0.0016","90","","90","","90","","3520.2","0.4","296","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Cyclohexa-1,4-dienyl)-2-(4-methoxyphenyl)-<i>N</i>,<i>N</i>-\ dimethylethanaminium chloride","","- C17 H24 Cl N O -","- C17 H24 Cl N O -","- C136 H192 Cl8 N8 O8 -","8","1","IS2435","Lou, Wei-Jian; Hu, Xiu-Rong","2-(Cyclohexa-1,4-dienyl)-2-(4-methoxyphenyl)-<i>N</i>,<i>N</i>-dimethylethanaminium chloride","Acta Crystallographica Section E","2009","65","8","o1916","","10.1107/S1600536809027627","","","0.71075","MoKα","","","0.0599","","","","0.14","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222876","21.1917","0.0009","6.3897","0.0002","23.3751","0.0011","90","","90","","90","","3165.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-oxopentan-2-aminium 2-sulfamoylbenzoate","","- C13 H20 N2 O5 S -","- C13 H20 N2 O5 S -","- C104 H160 N16 O40 S8 -","8","1","SI2187","Rafique, Muhammad; Hussain, Ghulam; Siddiqui, Waseeq Ahmad; Tahir, M. Nawaz","2-Methyl-4-oxopentan-2-aminium 2-sulfamoylbenzoate","Acta Crystallographica Section E","2009","65","8","o1883","","10.1107/S1600536809027007","","","0.71073","MoKα","","0.0607","0.037","","","0.0935","0.1104","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222947","8.11491","0.00018","14.1987","0.0004","15.3551","0.0004","90","","90","","90","","1769.23","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,4,7-Triazacyclononane hydrobromide","4,7-Diaza-1-azoniacyclononane bromide","","- C6 H16 Br N3 -","- C6 H16 Br N3 -","- C48 H128 Br8 N24 -","8","1","ZL2223","Allscher, Thorsten; Klüfers, Peter; Neumann, Christine","4,7-Diaza-1-azoniacyclononane bromide","Acta Crystallographica Section E","2009","65","8","o1734","","10.1107/S1600536809024313","","","0.71073","MoKα","","0.0374","0.018","","","0.0392","0.0408","","","","","","0.843","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222965","9.861","0.005","10.289","0.004","16.7","0.005","90","","90","","90","","1694.4","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DL-asparaginium perchlorate","DL-Asparaginium perchlorate","","- C4 H9 Cl N2 O7 -","- C4 H9 Cl N2 O7 -","- C32 H72 Cl8 N16 O56 -","8","1","AT2865","Guenifa, Fatiha; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","<small>DL</small>-Asparaginium perchlorate","Acta Crystallographica Section E","2009","65","9","o2264","o2265","10.1107/S1600536809033534","","","0.71073","MoKα","","0.046","0.0336","","","0.09","0.0997","","","","","","1.117","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223003","7.5521","0.0009","11.2309","0.0014","28.278","0.003","90","","90","","90","","2398.5","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,5-diphenyl-4<i>H</i>-1,2,4-triazol-4-amine","","- C14 H12 N4 -","- C14 H12 N4 -","- C112 H96 N32 -","8","1","BT5044","Zhang, Ya-Wen; Wang, Jian-Quan; Cheng, Lin","A second orthorhombic polymorph of 3,5-diphenyl-4<i>H</i>-1,2,4-triazol-4-amine","Acta Crystallographica Section E","2009","65","9","o2261","","10.1107/S1600536809033807","","","0.71073","MoKα","","0.0805","0.0561","","","0.1446","0.1611","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223011","8.619","0.004","20.063","0.003","26.231","0.003","90","","90","","90","","4536","2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[4-(Dimethylamino)benzylidene]acetohydrazide","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C176 H240 N48 O16 -","16","2","CI2860","Li, Wei-Wei; Yu, Tie-Ming; Yu, Wen-Bo; Lv, Lu-Ping; Hu, Xian-Chao","<i>N</i>'-[4-(Dimethylamino)benzylidene]acetohydrazide","Acta Crystallographica Section E","2009","65","9","o2197","","10.1107/S1600536809032619","","","0.71073","MoKα","","0.136","0.0809","","","0.2244","0.2598","","","","","","1.049","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223020","11.947","0.002","7.555","0.001","29.452","0.002","90","","90","","90","","2658.3","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Hydroxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CI2875","Shi, Da-Hua","4-Hydroxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","9","o2107","","10.1107/S1600536809030621","","","0.71073","MoKα","","0.0609","0.0378","","","0.0905","0.1033","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223043","20.623","0.003","7.2168","0.0012","22.831","0.004","90","","90","","90","","3398","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,5,5-Tetramethyl-2-(3,4,5-trimethoxyphenyl)imidazolidine-1-oxyl 3-oxide","","- C16 H23 N2 O5 -","- C16 H23 N2 O5 -","- C128 H184 N16 O40 -","8","1","DN2472","Wang, Hai-Bo; Jing, Lin-Lin; Gao, Peng; Sun, Xiao-Li","4,4,5,5-Tetramethyl-2-(3,4,5-trimethoxyphenyl)imidazolidine-1-oxyl 3-oxide","Acta Crystallographica Section E","2009","65","9","o2090","","10.1107/S1600536809029274","","","0.71073","MoKα","","0.0939","0.0462","","","0.1106","0.1186","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223052","9.5547","0.0013","10.0657","0.0015","24.575","0.004","90","","90","","90","","2363.5","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methoxyphenyl)pivalamide","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","FL2254","Saeed, Aamer; Hussain, Shahid; Batool, Mahira; Flörke, Ulrich","<i>N</i>-(4-Methoxyphenyl)pivalamide","Acta Crystallographica Section E","2009","65","9","o2067","","10.1107/S1600536809029535","","","0.71073","MoKα","","0.0659","0.0477","","","0.1109","0.12","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223053","10.101","0.002","8.915","0.0018","20.009","0.004","90","","90","","90","","1801.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","N-(4-Chlorophenyl)-2-(hydroxyimino)acetamide","<i>N</i>-(4-Chlorophenyl)-2-(hydroxyimino)acetamide","","- C8 H7 Cl N2 O2 -","- C8 H7 Cl N2 O2 -","- C64 H56 Cl8 N16 O16 -","8","1","FL2255","Sun, Jie; Cai, Zaisheng","<i>N</i>-(4-Chlorophenyl)-2-(hydroxyimino)acetamide","Acta Crystallographica Section E","2009","65","9","o2249","","10.1107/S1600536809033315","","","0.71073","MoKα","","0.0644","0.0467","","","0.136","0.153","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223059","18.9097","0.0006","7.9737","0.0002","24.7877","0.0007","90","","90","","90","","3737.5","0.18","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-acetoxymethyl-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate","","- C20 H19 N O6 S -","- C20 H19 N O6 S -","- C160 H152 N8 O48 S8 -","8","1","GK2226","Gunasekaran, B.; Sureshbabu, Radhakrishnan; Mohanakrishnan, A. K.; Chakkaravarthi, G.; Manivannan, V.","Ethyl 2-acetoxymethyl-1-phenylsulfonyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2009","65","9","o2069","","10.1107/S1600536809029985","","","0.71073","MoKα","","0.0923","0.051","","","0.1275","0.1528","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223076","15.8066","0.0016","16.875","0.003","21.297","0.003","90","","90","","90","","5680.7","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-[3-(dimethylamino)propyliminomethyl]-4,6-dihydroselenophenolato}zinc(II)","","- C24 H34 N4 O2 Se4 Zn -","- C24 H34 N4 O2 Se4 Zn -","- C192 H272 N32 O16 Se32 Zn8 -","8","1","HB5046","Yang, Jun; Yuan, Ji-Wen; Zha, Ru-Hua; Zeng, Qing-Fu","Bis{2-[3-(dimethylamino)propyliminomethyl]-4,6-dihydroselenophenolato}zinc(II)","Acta Crystallographica Section E","2009","65","9","m1090","","10.1107/S1600536809032061","","","0.71073","MoKα","","0.0733","0.0411","","","0.1022","0.1167","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223088","11.4884","0.0015","7.3445","0.001","30.718","0.004","90","","90","","90","","2591.9","0.6","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^2^-(2-Pyridyl)-<i>N</i>^6^-(4-pyridyl)pyridine-2,6-diamine","","- C15 H13 N5 -","- C15 H13 N5 -","- C120 H104 N40 -","8","1","HB5059","Wang, Zhi-Min; Shao, Bo","<i>N</i>^2^-(2-Pyridyl)-<i>N</i>^6^-(4-pyridyl)pyridine-2,6-diamine","Acta Crystallographica Section E","2009","65","9","o2273","","10.1107/S1600536809033480","","","0.71073","MoKα","","0.0761","0.0504","","","0.1512","0.1874","","","","","","0.824","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223110","13.6306","0.0011","12.698","0.001","15.5907","0.0013","90","","90","","90","","2698.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-Bis(4,5-dihydro-1<i>H</i>-imidazol-2-yl)benzene‒4-aminobenzenesulfonic acid‒water (1/2/2)","","- C24 H32 N6 O8 S2 -","- C24 H32 N6 O8 S2 -","- C96 H128 N24 O32 S8 -","4","0.5","HK2751","Shang, Shao-Ming; Ren, Chun-Xia; Wang, Xin; Lu, Lu-De; Yang, Xu-Jie","1,4-Bis(4,5-dihydro-1<i>H</i>-imidazol-2-yl)benzene‒4-aminobenzenesulfonic acid‒water (1/2/2)","Acta Crystallographica Section E","2009","65","9","o2221","o2222","10.1107/S1600536809032504","","","0.71073","MoKα","","0.0592","0.0454","","","0.1271","0.1397","","","","","","1.083","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223127","13.8691","0.0003","16.1993","0.0003","31.5514","0.0006","90","","90","","90","","7088.6","0.2","296","1","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[4'-(2,5-dimethoxyphenyl)- 2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridophosphate acetonitrile monosolvate","","- C35 H30 Cl F6 N6 O2 P Ru -","- C35 H30 Cl F6 N6 O2 P Ru -","- C280 H240 Cl8 F48 N48 O16 P8 Ru8 -","8","1","IS2438","Oyama, Dai; Kido, Masato; Orita, Ai; Takase, Tsugiko","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[4'-(2,5-dimethoxyphenyl)-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridophosphate acetonitrile monosolvate","Acta Crystallographica Section E","2009","65","9","m1117","m1118","10.1107/S1600536809032589","","","0.71075","MoKα","","","0.0374","","","","0.111","","","","","","1.011","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2223137","8.125","0.006","14.689","0.01","20.353","0.013","90","","90","","90","","2429","3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,2-bis(bromomethyl)-4,5-dimethoxybenzene","1,2-Bis(bromomethyl)-4,5-dimethoxybenzene","","- C10 H12 Br2 O2 -","- C10 H12 Br2 O2 -","- C80 H96 Br16 O16 -","8","1","JH2086","Zhou, Feng-yan","1,2-Bis(bromomethyl)-4,5-dimethoxybenzene","Acta Crystallographica Section E","2009","65","9","o2064","","10.1107/S1600536809030001","","","0.71073","MoKα","","0.072","0.0395","","","0.0984","0.1169","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223161","7.767","0.001","16.248","0.002","18.733","0.002","90","","90","","90","","2364.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(5-Methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","","- C12 H12 O4 S -","- C12 H12 O4 S -","- C96 H96 O32 S8 -","8","1","NC2155","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","2-(5-Methyl-3-methylsulfinyl-1-benzofuran-2-yl)acetic acid","Acta Crystallographica Section E","2009","65","9","o2268","","10.1107/S1600536809033765","","","0.71073","MoKα","","0.135","0.0521","","","0.1127","0.1561","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223175","9.7332","0.0008","10.2462","0.0009","23.898","0.002","90","","90","","90","","2383.3","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2,2-Tribromo-<i>N</i>-(4-chlorophenyl)acetamide","","- C8 H5 Br3 Cl N O -","- C8 H5 Br3 Cl N O -","- C64 H40 Br24 Cl8 N8 O8 -","8","1","PK2183","Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut","2,2,2-Tribromo-<i>N</i>-(4-chlorophenyl)acetamide","Acta Crystallographica Section E","2009","65","9","o2172","","10.1107/S1600536809032139","","","0.71073","MoKα","","0.1112","0.0797","","","0.1881","0.2053","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223184","9.423","0.0019","13.25","0.003","20.041","0.004","90","","90","","90","","2502.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Isopropyl-3-methyl-2-nitrobenzamide","","- C11 H14 N2 O3 -","- C11 H14 N2 O3 -","- C88 H112 N16 O24 -","8","1","RK2153","Chen, Yu; Guo, Li-hua; Song, Wei; Zhang, Jing; Tian, Dan-bi","<i>N</i>-Isopropyl-3-methyl-2-nitrobenzamide","Acta Crystallographica Section E","2009","65","9","o2278","","10.1107/S1600536809031997","","","0.71073","MoKα","","0.1399","0.0664","","","0.14","0.174","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223205","9.7305","0.0001","11.3991","0.0002","29.6323","0.0004","90","","90","","90","","3286.78","0.08","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,4-Dioxo-1,3-thiazolidin-3-yl)-2-(4-isobutylphenyl)propanamide","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C128 H160 N16 O24 S8 -","8","1","TK2517","Fun, Hoong-Kun; Goh, Jia Hao; Vinayaka, A. C.; Kalluraya, B.","<i>N</i>-(2,4-Dioxo-1,3-thiazolidin-3-yl)-2-(4-isobutylphenyl)propanamide","Acta Crystallographica Section E","2009","65","9","o2094","","10.1107/S160053680903027X","","","0.71073","MoKα","","0.088","0.064","","","0.131","0.143","","","","","","1.2","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223216","17.3418","0.0002","14.6488","0.0002","17.9584","0.0002","90","","90","","90","","4562.09","0.1","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,6,6-Tetrakis(biphenyl-2-yl)-4,4,8,8-tetramethylcyclotetrasiloxane","","- C52 H48 O4 Si4 -","- C52 H48 O4 Si4 -","- C208 H192 O16 Si16 -","4","0.5","VM2002","Couzijn, Erik P. A.; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","2,2,6,6-Tetrakis(biphenyl-2-yl)-4,4,8,8-tetramethylcyclotetrasiloxane","Acta Crystallographica Section E","2009","65","9","o2182","o2183","10.1107/S1600536809031961","","","0.71073","MoKα","","0.0579","0.0356","","","0.0868","0.0966","","","","","","1.067","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223227","12.9391","0.0005","10.3967","0.0004","14.2938","0.0006","90","","90","","90","","1922.86","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2-Amino-5-methylthiazol-4-yl)phenol","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C80 H80 N16 O8 S8 -","8","1","XU2563","He, Li-Min; Cao, Gao; Hu, Ai-Xi","2-(2-Amino-5-methylthiazol-4-yl)phenol","Acta Crystallographica Section E","2009","65","9","o2161","","10.1107/S160053680903164X","","","0.71073","MoKα","","0.0575","0.0535","","","0.1456","0.1499","","","","","","0.981","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223280","7.3928","0.0013","10.4467","0.0016","18.925","0.003","90","","90","","90","","1461.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pyridine-4-carboximidamidate chloride","","- C6 H8 Cl N3 -","- C6 H8 Cl N3 -","- C48 H64 Cl8 N24 -","8","1","BH2242","Fan, Ping; Wang, Lei; Zhang, Huidong","Pyridine-4-carboximidamidate chloride","Acta Crystallographica Section E","2009","65","10","o2408","","10.1107/S160053680903517X","","","0.71073","MoKα","","0.0423","0.0329","","","0.0869","0.092","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223328","10.21","0.002","10.812","0.002","15.398","0.003","90","","90","","90","","1699.8","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Cyanoanilinium nitrate","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C56 H56 N24 O24 -","8","1","CI2892","Wang, Bo","3-Cyanoanilinium nitrate","Acta Crystallographica Section E","2009","65","10","o2395","","10.1107/S1600536809034886","","","0.71073","MoKα","","0.0684","0.0524","","","0.1331","0.1414","","","","","","1.144","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223341","7.267","0.0014","13.741","0.003","19.127","0.004","90","","90","","90","","1909.9","0.7","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(2-Nitroethenyl)naphthalene","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","1","CI2915","Jing, Lin-Hai","(<i>E</i>)-1-(2-Nitroethenyl)naphthalene","Acta Crystallographica Section E","2009","65","10","o2521","","10.1107/S1600536809037623","","","0.71073","MoKα","","0.0544","0.0482","","","0.0951","0.0989","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223366","7.892","0.002","16.374","0.005","18.334","0.006","90","","90","","90","","2369.2","1.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)acetohydrazide monohydrate","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C80 H112 N16 O32 -","8","1","FB2165","Lv, Lu-Ping; Yu, Wen-Bo; Tan, Ying; Zhang, Yong-Zhao; Hu, Xian-Chao","<i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)acetohydrazide monohydrate","Acta Crystallographica Section E","2009","65","10","o2514","","10.1107/S1600536809037489","","","0.71073","MoKα","","0.0678","0.0411","","","0.1043","0.1149","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223369","17.0768","0.0019","7.7232","0.0011","17.678","0.002","90","","90","","90","","2331.5","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 5,6-dimethoxy-1<i>H</i>-indole-2-carboxylate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","FJ2241","Monroe, Thomas Blake; Moazami, Yasamin; Jones, Daniel S.; Ogle, Craig A.","Methyl 5,6-dimethoxy-1<i>H</i>-indole-2-carboxylate","Acta Crystallographica Section E","2009","65","10","o2353","","10.1107/S1600536809034667","","","1.54184","CuKα","","","0.0345","","","","0.1015","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223400","10.6433","0.0014","6.7762","0.0008","21.129","0.003","90","","90","","90","","1523.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(5-methylfuran-2-yl)methylidene]formohydrazide","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C56 H64 N16 O16 -","8","1","HB5099","Shafiq, Zahid; Yaqub, Muhammad; Tahir, M. Nawaz; Nawaz, Mian Hasnain; Iqbal, M. Saeed","<i>N</i>'-[(<i>E</i>)-(5-Methylfuran-2-yl)methylidene]formohydrazide","Acta Crystallographica Section E","2009","65","10","o2495","","10.1107/S1600536809037064","","","0.71073","MoKα","","0.144","0.0437","","","0.0811","0.1082","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223427","10.399","0.002","18.72","0.004","10.282","0.002","90","","90","","90","","2001.6","0.7","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4,6-Trimethylanilinium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C72 H112 Br8 N8 -","8","1","HK2763","Cui, Li-Jing; Xu, Hai-Jun","2,4,6-Trimethylanilinium bromide","Acta Crystallographica Section E","2009","65","10","o2376","","10.1107/S1600536809034497","","","0.71073","MoKα","","0.0788","0.0501","","","0.1092","0.1217","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223428","9.4337","0.0003","10.6359","0.0004","18.6775","0.0006","90","","90","","90","","1874.02","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-Ammonionaphthalene-2-sulfonate","1-Ammonionaphthalene-2-sulfonate","","- C10 H9 N O3 S -","- C10 H9 N O3 S -","- C80 H72 N8 O24 S8 -","8","1","HK2764","Mahmood, Ayyaz; Rashid, Ayoub; Arshad, Muhammad Nadeem; Sharif, Hafiz Muhammad Adeel; Khan, Islam Ullah","1-Ammonionaphthalene-2-sulfonate","Acta Crystallographica Section E","2009","65","10","o2505","","10.1107/S1600536809036538","","","0.71073","MoKα","","0.0565","0.0375","","","0.0953","0.1068","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223436","8.905","0.002","8.489","0.002","21.817","0.004","90","","90","","90","","1649.2","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium chloride","","- C7 H10 Cl N O -","- C7 H10 Cl N O -","- C56 H80 Cl8 N8 O8 -","8","1","IM2133","Zhao, Min Min","4-Methoxyanilinium chloride","Acta Crystallographica Section E","2009","65","10","o2378","","10.1107/S1600536809035429","","","0.71073","MoKα","","0.0774","0.0624","","","0.1556","0.1647","","","","","","1.122","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223465","8.122","0.002","11.091","0.004","27.723","0.006","90","","90","","90","","2497.3","1.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromomethyl-7-methyl-6,8-dinitrocoumarin","","- C11 H7 Br N2 O6 -","- C11 H7 Br N2 O6 -","- C88 H56 Br8 N16 O48 -","8","1","LH2864","Gowda, Ramakrishna; Alawandi, Ganesh N.; Kulkarni, Manohar V.; Gowda, K. V. Arjuna","4-Bromomethyl-7-methyl-6,8-dinitrocoumarin","Acta Crystallographica Section E","2009","65","10","o2446","","10.1107/S160053680903596X","","","0.71069","MoKα","","0.054","0.0596","","0.1013","","0.1713","","","1.05","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223491","17.347","0.004","14.686","0.004","18.83","0.005","90","","90","","90","","4797","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato]- κ^3^<i>N</i>,<i>N</i>',<i>O</i>;κ^2^<i>N</i>,<i>N</i>'-copper(II)","","- C24 H18 Cu N4 O6 S2 -","- C24 H18 Cu N4 O6 S2 -","- C192 H144 Cu8 N32 O48 S16 -","8","1","NG2628","Yang, Ge-Ge; Ou-Yang, Miao; Meng, Xiu-Jin; Huang, Xue-Ren; Jiang, Yi-Min","Bis[2-(2-pyridylmethyleneamino)benzenesulfonato]-κ^3^<i>N</i>,<i>N</i>',<i>O</i>;κ^2^<i>N</i>,<i>N</i>'-copper(II)","Acta Crystallographica Section E","2009","65","10","m1200","","10.1107/S1600536809035661","","","0.71073","MoKα","","0.1233","0.0524","","","0.0997","0.1305","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223510","11.9334","0.0008","9.3394","0.0006","20.5775","0.0014","90","","90","","90","","2293.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexaaquairon(II) bis[<i>fac</i>-tribromidotricarbonylferrate(II)]","","- C6 H12 Br6 Fe3 O12 -","- C6 H12 Br6 Fe3 O12 -","- C24 H48 Br24 Fe12 O48 -","4","0.5","OM2275","Becker, Eva; Kirchner, Karl; Mereiter, Kurt","Hexaaquairon(II) bis[<i>fac</i>-tribromidotricarbonylferrate(II)]","Acta Crystallographica Section E","2009","65","10","i71","","10.1107/S1600536809036198","","","0.71073","MoKα","","0.0493","0.034","","","0.0655","0.0701","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223522","8.9779","0.0018","8.6978","0.0017","22.132","0.004","90","","90","","90","","1728.2","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium bromide","","- C7 H10 Br N O -","- C7 H10 Br N O -","- C56 H80 Br8 N8 O8 -","8","1","PV2194","Fu, Xue-qun","4-Methoxyanilinium bromide","Acta Crystallographica Section E","2009","65","10","o2344","","10.1107/S160053680903503X","","","0.71073","MoKα","","0.076","0.0425","","","0.0894","0.1002","","","","","","1.123","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223540","11.255","0.006","11.713","0.008","23.653","0.015","90","","90","","90","","3118","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,1'-(hexane-1,6- diyl)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","","- C12 H18 Cl2 N4 Zn -","- C12 H18 Cl2 N4 Zn -","- C96 H144 Cl16 N32 Zn8 -","8","1","RZ2360","Bao, Wen-Li","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-1,1'-(hexane-1,6-diyl)diimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]","Acta Crystallographica Section E","2009","65","10","m1239","","10.1107/S1600536809037696","","","1.54184","CuKα","","0.0548","0.038","","","0.0955","0.1063","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223546","4.7411","0.0002","18.9447","0.0006","26.1417","0.001","90","","90","","90","","2348.01","0.15","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-[(3-Bromophenyl)iminomethyl]benzene-1,2-diol","","- C13 H10 Br N O2 -","- C13 H10 Br N O2 -","- C104 H80 Br8 N8 O16 -","8","1","SI2198","Keleşoğlu, Zeynep; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa","(<i>E</i>)-3-[(3-Bromophenyl)iminomethyl]benzene-1,2-diol: a combined X-ray and computational structural study","Acta Crystallographica Section E","2009","65","10","o2410","o2411","10.1107/S1600536809035053","","","0.71073","MoKα","","0.0471","0.0332","","","0.0727","0.0775","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223574","10.116","0.0004","10.0049","0.0005","13.0821","0.0005","90","","90","","90","","1324.03","0.1","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","disodium +/-tartrate","Disodium (2<i>RS</i>,3<i>SR</i>)-tartrate","","- C4 H4 Na2 O6 -","- C4 H4 Na2 O6 -","- C32 H32 Na16 O48 -","8","1","TK2539","Arbuckle, William; Cartner, Stuart; Kennedy, Alan R.; Morrison, Catriona A.","Disodium (2<i>RS</i>,3<i>SR</i>)-tartrate","Acta Crystallographica Section E","2009","65","10","m1232","","10.1107/S1600536809037155","","","0.71073","MoKα","","0.04","0.028","","","0.069","0.072","","","","","","1.05","","","","has coordinates,has Fobs","202022","2020-10-21","18:00:00",""
"2223585","14.601","0.001","11.03","0.002","20.006","0.002","90","","90","","90","","3221.9","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Dihydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","1","WN2345","Xu, Liang; Huang, Shan-Shan; Zhang, Bao-Jing; Wang, Shou-Yu; Zhang, Hou-Li","2,4-Dihydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","10","o2412","","10.1107/S1600536809035764","","","0.71073","MoKα","","0.0934","0.0482","","","0.1193","0.1482","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223602","9.035","0.004","15.188","0.006","18.556","0.007","90","","90","","90","","2546.3","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[silver(I)-μ-dipyrazin-2-ylamine] perchlorate monohydrate]","","- C8 H9 Ag Cl N5 O5 -","- C8 H9 Ag Cl N5 O5 -","- C64 H72 Ag8 Cl8 N40 O40 -","8","1","BG2275","Song, Wei Feng; Wan, Chong-Qing; Liu, Jianfeng","<i>catena</i>-Poly[[silver(I)-μ-dipyrazin-2-ylamine] perchlorate monohydrate]","Acta Crystallographica Section E","2009","65","11","m1339","","10.1107/S1600536809037532","","","0.71073","MoKα","","0.1197","0.068","","","0.1675","0.2215","","","","","","1.013","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223622","12.0781","0.0003","8.965","0.0002","29.3755","0.0008","90","","90","","90","","3180.78","0.14","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-[4-(4-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C144 H168 N8 O24 -","8","1","BT5060","Thenmozhi, M.; Kavitha, T.; Reddy, B. Palakshi; Vijayakumar, V.; Ponnuswamy, M. N.","1,1'-[4-(4-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone","Acta Crystallographica Section E","2009","65","11","o2795","","10.1107/S1600536809041592","","","0.71073","MoKα","","0.0739","0.047","","","0.1241","0.1481","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223641","16.9716","0.0008","15.5992","0.0007","26.5497","0.0012","90","","90","","90","","7028.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine‒dichlorophenylborane","","- C39 H54 B Cl2 P -","- C39 H54 B Cl2 P -","- C312 H432 B8 Cl16 P8 -","8","1","BT5091","Braunschweig, Holger; Dewhurst, Rian D.; Radacki, Krzysztof; Wagner, Katharina","Dicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphine‒dichlorophenylborane","Acta Crystallographica Section E","2009","65","11","o2787","","10.1107/S1600536809041865","","","0.71073","MoKα","","0.0527","0.0357","","","0.0792","0.0881","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223648","10.5421","0.0006","11.1494","0.0006","19.8557","0.001","90","","90","","90","","2333.8","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-{1-[(2-Chlorothiazol-5-yl)methyl]-5-methyl-1<i>H</i>-1,2,3-triazol-4- yl}ethanone","","- C9 H9 Cl N4 O S -","- C9 H9 Cl N4 O S -","- C72 H72 Cl8 N32 O8 S8 -","8","1","BT5103","Chen, Xiao-Bao; Tian, Jia-Hua; Xu, Jing; Yu, Yong; Wang, Qun","1-{1-[(2-Chlorothiazol-5-yl)methyl]-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl}ethanone","Acta Crystallographica Section E","2009","65","11","o2840","","10.1107/S1600536809042937","","","0.71073","MoKα","","0.0512","0.0473","","","0.1249","0.1281","","","","","","1.148","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223679","7.5704","0.0016","11.331","0.002","17.227","0.004","90","","90","","90","","1477.7","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(2-iminomethyl-5-methoxyphenolato)nickel(II)","","- C16 H16 N2 Ni O4 -","- C16 H16 N2 Ni O4 -","- C64 H64 N8 Ni4 O16 -","4","0.5","CI2923","Tang, Chunbao","Bis(2-iminomethyl-5-methoxyphenolato)nickel(II)","Acta Crystallographica Section E","2009","65","11","m1275","","10.1107/S1600536809039233","","","0.71073","MoKα","","0.0464","0.0276","","","0.0733","0.0834","","","","","","1.009","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223694","11.9336","0.0005","9.7471","0.0004","22.584","0.0009","90","","90","","90","","2626.93","0.19","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide","","- C14 H10 Cl2 N2 O -","- C14 H10 Cl2 N2 O -","- C112 H80 Cl16 N16 O8 -","8","1","CI2943","Zou, Dong-Hui; Guan, Hong; Zhang, Xiao-Hua","2-Chloro-<i>N</i>'-(2-chlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","11","o2871","","10.1107/S1600536809043803","","","0.71073","MoKα","","0.0605","0.0384","","","0.0851","0.0979","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223735","8.0319","0.0003","16.6784","0.0006","37.3492","0.0013","90","","90","","90","","5003.3","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{μ-1,5-Bis[(<i>E</i>)-1-(2- pyridyl)ethylidene]carbonohydrazidato(1-)}bis[chloridomethanolcopper(II)] perchlorate","","- C17 H23 Cl3 Cu2 N6 O7 -","- C17 H23 Cl3 Cu2 N6 O7 -","- C136 H184 Cl24 Cu16 N48 O56 -","8","1","FI2081","Huang, Wei","{μ-1,5-Bis[(<i>E</i>)-1-(2-pyridyl)ethylidene]carbonohydrazidato(1{-})}bis[chloridomethanolcopper(II)] perchlorate","Acta Crystallographica Section E","2009","65","11","m1347","","10.1107/S1600536809040471","","","0.71073","MoKα","","0.0738","0.0481","","","0.1276","0.1417","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223747","17.685","0.004","11.613","0.002","20.568","0.004","90","","90","","90","","4224.2","1.5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>Z</i>)-4-[(4-Methoxybenzylamino)(phenyl)methylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C200 H184 N24 O16 -","8","1","FL2271","Xu, Hai-Zhen; Xu, Jian-Ping; Zhang, Jin; Yuan, Yan-Wei; Zhu, You-Quan","(4<i>Z</i>)-4-[(4-Methoxybenzylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2009","65","11","o2740","","10.1107/S1600536809040458","","","0.71073","MoKα","","0.0647","0.0563","","","0.1302","0.1354","","","","","","1.117","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223822","12.278","0.003","7.8035","0.0016","19.466","0.004","90","","90","","90","","1865.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-benzylidenecarbazate","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C72 H80 N16 O16 -","8","1","HB5195","Li, Yu-Feng; Liu, Hai-Xing; Jian, Fang-Fang","Methyl 3-benzylidenecarbazate","Acta Crystallographica Section E","2009","65","11","o2963","","10.1107/S1600536809045012","","","0.71073","MoKα","","0.0494","0.04","","","0.1365","0.1468","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223823","10.585","0.002","10.019","0.002","16.311","0.003","90","","90","","90","","1729.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(3-pyridylmethylene)carbazate","","- C8 H9 N3 O2 -","- C8 H9 N3 O2 -","- C64 H72 N24 O16 -","8","1","HB5196","Li, Yu-Feng; Liu, Hai-Xing; Jian, Fang-Fang","Methyl 3-(3-pyridylmethylene)carbazate","Acta Crystallographica Section E","2009","65","11","o2959","","10.1107/S1600536809045024","","","0.71073","MoKα","","0.049","0.0464","","","0.1247","0.1275","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223831","12.1392","0.001","8.1386","0.0007","23.665","0.002","90","","90","","90","","2338","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Hydroxy-2,5-dimethylphenyl)phenylmethanone","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","1","HG2568","Moreno-Fuquen, Rodolfo; Valencia, Leidy J.; Kennedy, Alan R.; Gilmour, Denise; De Almeida Santos, R. H.","(4-Hydroxy-2,5-dimethylphenyl)phenylmethanone","Acta Crystallographica Section E","2009","65","11","o2614","","10.1107/S1600536809039488","","","0.71073","MoKα","","0.0874","0.0322","","","0.0519","0.0576","","","","","","0.726","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223838","14.8486","0.0015","9.621","0.001","18.9438","0.0018","90","","90","","90","","2706.3","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2,6-Trimethyl-5-[2-(4-methylphenyl)ethynyl]-4<i>H</i>-1,3-dioxin-4-one","","- C16 H16 O3 -","- C16 H16 O3 -","- C128 H128 O24 -","8","1","HG2577","Caracelli, Ignez; Zukerman-Schpector, Julio; Vieira, Adriano S.; Stefani, Hélio A.; Tiekink, Edward R. T.","2,2,6-Trimethyl-5-[2-(4-methylphenyl)ethynyl]-4<i>H</i>-1,3-dioxin-4-one","Acta Crystallographica Section E","2009","65","11","o2736","","10.1107/S1600536809041002","","","0.71073","MoKα","","0.065","0.038","","","0.082","0.096","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223854","12.3638","0.0006","8.9683","0.0005","15.8249","0.0008","90","","90","","90","","1754.7","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(1,3-Thiazolidin-2-yl)phenol","","- C9 H11 N O S -","- C9 H11 N O S -","- C72 H88 N8 O8 S8 -","8","1","IM2144","Yang, Xue-Mei","4-(1,3-Thiazolidin-2-yl)phenol","Acta Crystallographica Section E","2009","65","11","o2799","","10.1107/S1600536809042135","","","0.71073","MoKα","","0.0456","0.0367","","","0.0978","0.1046","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223879","14.5924","0.0013","13.4826","0.0012","17.006","0.0013","90","","90","","90","","3345.8","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methanoldinitrato[<i>N</i>-(2-pyridylmethylene)aniline]copper(II)","","- C13 H14 Cu N4 O7 -","- C13 H14 Cu N4 O7 -","- C104 H112 Cu8 N32 O56 -","8","1","JH2108","Kim, Young-Inn; Lee, Hong Woo; Kim, Ji-Hoon; Park, Sun Young; Kang, Sung Kwon","Methanoldinitrato[<i>N</i>-(2-pyridylmethylene)aniline]copper(II)","Acta Crystallographica Section E","2009","65","11","m1362","","10.1107/S1600536809041075","","","0.71073","MoKα","","","0.0383","","","","0.1012","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223897","11.9516","0.001","9.439","0.0008","25.418","0.002","90","","90","","90","","2867.4","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-{[4-(1,3-Benzothiazol-2-yl)phenyl](methyl)amino}acetic acid","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C128 H112 N16 O16 S8 -","8","1","LH2913","Zhang, Yong; Zhao, Bi-lin","2-{[4-(1,3-Benzothiazol-2-yl)phenyl](methyl)amino}acetic acid","Acta Crystallographica Section E","2009","65","11","o2762","","10.1107/S1600536809041452","","","0.71073","MoKα","","0.0956","0.059","","","0.1191","0.1338","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223932","13.1464","0.0011","13.5485","0.0012","22.0974","0.0019","90","","90","","90","","3935.9","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(9-Anthryl)-1-(4-chlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1- yl)prop-2-en-1-one","","- C25 H16 Cl N3 O -","- C25 H16 Cl N3 O -","- C200 H128 Cl8 N24 O8 -","8","1","NG2650","Wang, Guang-Zhou; Shi, Yuan; Wan, Kun; Zhou, Cheng-He","(<i>E</i>)-3-(9-Anthryl)-1-(4-chlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","11","o2631","","10.1107/S1600536809038628","","","0.71073","MoKα","","0.0721","0.0651","","","0.1571","0.1624","","","","","","1.124","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223933","13.1115","0.0008","13.4737","0.0008","21.7019","0.0014","90","","90","","90","","3833.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(9-Anthryl)-1-(4-fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1- yl)prop-2-en-1-one","","- C25 H16 F N3 O -","- C25 H16 F N3 O -","- C200 H128 F8 N24 O8 -","8","1","NG2652","Wang, Guang-Zhou; Su, Min; Zhou, Cheng-He","(<i>E</i>)-3-(9-Anthryl)-1-(4-fluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","11","o2598","","10.1107/S1600536809039178","","","0.71073","MoKα","","0.075","0.0638","","","0.1449","0.1518","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223937","21.4958","0.001","12.4634","0.0006","23.3126","0.0011","90","","90","","90","","6245.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[(3-Methylphenyl)(triphenylphosphonio)methanide- κ<i>C</i>](pentafluorophenyl-κ<i>C</i>)gold(I) diethyl ether solvate","","- C36 H33 Au F5 O P -","- C36 H33 Au F5 O P -","- C288 H264 Au8 F40 O8 P8 -","8","1","NG2660","Strasser, Christoph E.; Coetzee, Karolien; Cronje, Stephanie; Raubenheimer, Helgard G.","[(3-Methylphenyl)(triphenylphosphonio)methanide-κ<i>C</i>]triphenylphosphorane(pentafluorophenyl-κ<i>C</i>)gold(I) diethyl ether solvate","Acta Crystallographica Section E","2009","65","11","m1373","","10.1107/S160053680904152X","","","0.71073","MoKα","","0.0573","0.037","","","0.0737","0.0802","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223990","10.515","0.002","7.3736","0.0014","23.261","0.004","90","","90","","90","","1803.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-3-nitromethylindolin-2-one","","- C9 H8 N2 O4 -","- C9 H8 N2 O4 -","- C72 H64 N16 O32 -","8","1","RZ2364","Tang, Ying; Chen, Gang; Zhang, Jie; Chen, Shijun","3-Hydroxy-3-nitromethylindolin-2-one","Acta Crystallographica Section E","2009","65","11","o2597","","10.1107/S1600536809039087","","","0.71073","MoKα","","0.0683","0.0452","","","0.1204","0.1347","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223991","12.808","0.002","9.719","0.002","21.882","0.001","90","","90","","90","","2723.9","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","RZ2366","Cao, Guo-Biao","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","11","o2650","","10.1107/S1600536809039725","","","0.71073","MoKα","","0.0507","0.0376","","","0.0936","0.1027","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223992","14.99","0.001","8.076","0.001","24.122","0.002","90","","90","","90","","2920.2","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","RZ2367","Cao, Guo-Biao","(<i>E</i>)-2-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","11","o2645","","10.1107/S1600536809039713","","","0.71073","MoKα","","0.1551","0.05","","","0.1057","0.149","","","","","","0.915","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224017","9.2582","0.0006","16.8837","0.001","23.9403","0.0014","90","","90","","90","","3742.2","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)benzamidine","","- C21 H19 Br N2 O2 -","- C21 H19 Br N2 O2 -","- C168 H152 Br8 N16 O16 -","8","1","SU2139","Pal, Amlan K.; Hanan, Garry S.","4-Bromo-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)benzamidine","Acta Crystallographica Section E","2009","65","11","o2777","","10.1107/S1600536809040112","","","1.54178","CuKα","","0.0295","0.029","","","0.0798","0.0802","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224089","13.3147","0.0005","11.8147","0.0004","20.3359","0.0006","90","","90","","90","","3199.02","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{(1-methylimidazol-2-ylmethyl)[2-(2-pyridyl)ethyl]amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II) bis(hexafluoridophosphate)","","- C24 H32 F12 N8 P2 Zn -","- C24 H32 F12 N8 P2 Zn -","- C96 H128 F48 N32 P8 Zn4 -","4","0.5","XU2647","Wu, Ai-Zhi; Ng, Seik Weng","Bis{(1-methylimidazol-2-ylmethyl)[2-(2-pyridyl)ethyl]amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2009","65","11","m1479","","10.1107/S1600536809044419","","","0.71073","MoKα","","0.0726","0.0515","","","0.129","0.1473","","","","","","1.038","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224106","13.0461","0.0016","9.7919","0.0012","19.374","0.002","90","","90","","90","","2475","0.5","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Aqua[<i>N</i>-(2,5-dihydroxybenzyl)iminodiacetato]copper(II)","","- C11 H13 Cu N O7 -","- C11 H13 Cu N O7 -","- C88 H104 Cu8 N8 O56 -","8","1","ZS2013","Zhang, Xiu-Qing; Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Liang, Hong","Aqua[<i>N</i>-(2,5-dihydroxybenzyl)iminodiacetato]copper(II)","Acta Crystallographica Section E","2009","65","11","m1393","","10.1107/S1600536809042238","","","0.7107","MoKα","","0.0271","0.0247","","","0.068","0.0696","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224173","9.5979","0.0019","12.951","0.003","22.457","0.005","90","","90","","90","","2791.5","1.1","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone","","- C15 H12 Br Cl O2 -","- C15 H12 Br Cl O2 -","- C120 H96 Br8 Cl8 O16 -","8","1","CV2652","Shao, Hua; Zhao, Guilong; Liu, Wei; Wang, Yuli; Xu, Weiren","(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone","Acta Crystallographica Section E","2009","65","12","o3071","","10.1107/S1600536809047151","","","0.71073","MoKα","","0.0382","0.0319","","","0.0796","0.0825","","","","","","1.088","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224201","11.8","0.003","9.114","0.004","19.041","0.007","90","","90","","90","","2047.8","1.3","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Pyridylmethoxy)phenol","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","FJ2252","Zhang, Zhi; Li, Yu-Jie; Gao, Xue-Mei","2-(4-Pyridylmethoxy)phenol","Acta Crystallographica Section E","2009","65","12","o3160","","10.1107/S1600536809047205","","","0.71073","MoKα","","0.103","0.0586","","","0.1268","0.145","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224209","16.662","0.003","19.27","0.004","22.094","0.004","90","","90","","90","","7094","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-1-[(1-phenylethyl)sulfonylmethylsulfonyl]ethane","","- C17 H20 O4 S2 -","- C17 H20 O4 S2 -","- C272 H320 O64 S32 -","16","2","FL2264","Zhang, Bing-zhu; Chen, Xiang-min; Kang, Huai-ping; Sun, Feng-xia; Wang, Yan-ji; Liu, Jing-tao; Wang, De-bin","1-Phenyl-1-[(1-phenylethyl)sulfonylmethylsulfonyl]ethane","Acta Crystallographica Section E","2009","65","12","o3198","","10.1107/S1600536809049423","","","0.71073","MoKα","","0.0736","0.0579","","","0.1446","0.155","","","","","","1.106","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224210","8.341","0.001","9.567","0.001","27.066","0.001","90","","90","","90","","2159.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","HEPES","2-[4-(2-Hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonate","","- C8 H18 N2 O4 S -","- C8 H18 N2 O4 S -","- C64 H144 N16 O32 S8 -","8","1","FL2269","Sledz, Pawel; Minor, Thomas; Chruszcz, Maksymilian","Redetermination of 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonate at 100 K","Acta Crystallographica Section E","2009","65","12","o3027","o3028","10.1107/S1600536809042512","","","0.7107","MoKα","","0.0377","0.0313","","","0.0926","0.0987","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224218","11.9767","0.0004","9.7187","0.0003","29.3476","0.0007","90","","90","","90","","3416","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Di-<i>tert</i>-butyl 2,2'-[(2-hydroxyethyl)azanediyl]diacetate","","- C14 H27 N O5 -","- C14 H27 N O5 -","- C112 H216 N8 O40 -","8","1","GK2237","Yang, Yang; Zhu, Lin; Zhang, Huabei","Di-<i>tert</i>-butyl 2,2'-[(2-hydroxyethyl)azanediyl]diacetate","Acta Crystallographica Section E","2009","65","12","o3167","","10.1107/S1600536809049022","","","0.71073","MoKα","","0.0776","0.0455","","","0.1108","0.1282","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224224","9.092","0.003","13.416","0.002","30.149","0.004","90","","90","","90","","3677.5","1.4","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-5-nitropyridinium hydrogen selenate","","- C5 H7 N3 O6 Se -","- C5 H7 N3 O6 Se -","- C80 H112 N48 O96 Se16 -","16","2","HB5132","Akriche, Samah; Rzaigui, Mohamed","2-Amino-5-nitropyridinium hydrogen selenate","Acta Crystallographica Section E","2009","65","12","o3009","o3010","10.1107/S1600536809042354","","","0.71073","Mokα","","0.1029","0.0428","","","0.0847","0.1014","","","","","","0.968","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224295","17.7426","0.0019","19.874","0.002","20.493","0.002","90","","90","","90","","7226.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tri-μ-ethanethiolato-bis{[η^5^-1,2,3,4-tetramethyl-5- (trimethylsilyl)cyclopentadienyl]iron(II,III)}(<i>Fe^II^</i>‒<i>Fe^III^</i>)","","- C30 H57 Fe2 S3 Si2 -","- C30 H57 Fe2 S3 Si2 -","- C240 H456 Fe16 S24 Si16 -","8","1","HY2242","Li, Jing","Tri-μ-ethanethiolato-bis{[η^5^-1,2,3,4-tetramethyl-5-(trimethylsilyl)cyclopentadienyl]iron(II,III)}(<i>Fe^II^</i>‒<i>Fe^III^</i>)","Acta Crystallographica Section E","2009","65","12","m1542","","10.1107/S1600536809045735","","","0.71073","MoKα","","0.0519","0.0335","","","0.0861","0.0951","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224350","7.4511","0.0006","11.0541","0.0008","31.031","0.003","90","","90","","90","","2555.9","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(2-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 F O2 -","- C16 H13 F O2 -","- C128 H104 F8 O16 -","8","1","LH2941","Guo, Huan-Mei","3-(2-Fluorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","12","o3013","","10.1107/S1600536809045759","","","0.71073","MoKα","","0.0653","0.0416","","","0.1037","0.1169","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224376","14.65","0.003","12.019","0.001","15.634","0.003","90","","90","","90","","2752.8","0.8","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C112 H120 N8 O16 S8 -","8","1","NG2688","Nirmala, P. G.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","4-Methyl-<i>N</i>-(2-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2009","65","12","o3184","","10.1107/S1600536809049411","","","1.5418","CuKα","","0.0596","0.0436","","","0.1232","0.1339","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224425","14.562","0.003","8.1252","0.0016","16.211","0.003","90","","90","","90","","1918.1","0.7","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","","- C10 H9 N3 S -","- C10 H9 N3 S -","- C80 H72 N24 S8 -","8","1","RZ2391","Zeng, Xiu-Xiu; Ye, Ting-Hong; Lun, Dong-Wen; Yu, Luo-Ting; Yang, Li","3-Amino-4,6-dimethylthieno[2,3-<i>b</i>]pyridine-2-carbonitrile","Acta Crystallographica Section E","2009","65","12","o3138","","10.1107/S1600536809048132","","","0.71073","MoKα","","0.041","0.0367","","","0.0976","0.1011","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224444","15.6489","0.0002","20.9223","0.0003","31.3447","0.0005","90","","90","","90","","10262.6","0.3","100","0.1","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-tricyclohexylphosphine- 3κ<i>P</i>-<i>triangulo</i>-triruthenium(0)","","- C52 H55 As2 O9 P Ru3 -","- C52 H55 As2 O9 P Ru3 -","- C416 H440 As16 O72 P8 Ru24 -","8","1","SJ2677","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Yeap, Chin Sing; Fun, Hoong-Kun","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-tricyclohexylphosphine-3κ<i>P</i>-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2009","65","12","m1626","m1627","10.1107/S1600536809047977","","","0.71073","MoKα","","0.0795","0.0455","","","0.087","0.0986","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224463","15.0306","0.0002","8.5783","0.0001","16.9274","0.0002","90","","90","","90","","2182.57","0.05","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(4,6-dimethylpyrimidine-2-thiolato- κ^2^<i>N</i>,<i>S</i>)bis(thiourea-κ<i>S</i>)nickel(II)","","- C14 H22 N8 Ni S4 -","- C14 H22 N8 Ni S4 -","- C56 H88 N32 Ni4 S16 -","4","0.5","TK2572","Zhu, Jing; Wang, Jian-Gang; Duan, Taike; Zhang, Qian-Feng","<i>trans</i>-Bis(4,6-dimethylpyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)bis(thiourea-κ<i>S</i>)nickel(II)","Acta Crystallographica Section E","2009","65","12","m1697","","10.1107/S1600536809050223","","","0.71073","MoKα","","0.078","0.04","","","0.086","0.101","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2224467","13.1618","0.0002","14.6993","0.0002","22.8406","0.0003","90","","90","","90","","4418.95","0.11","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,5-Dichlorophenyl)maleamic acid","","- C10 H7 Cl2 N O3 -","- C10 H7 Cl2 N O3 -","- C160 H112 Cl32 N16 O48 -","16","2","TK2578","Shakuntala, K.; Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef","<i>N</i>-(2,5-Dichlorophenyl)maleamic acid","Acta Crystallographica Section E","2009","65","12","o3119","","10.1107/S1600536809048715","","","0.71073","MoKα","","0.035","0.028","","","0.077","0.079","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224501","15.9978","0.001","14.5647","0.0009","16.5889","0.001","90","","90","","90","","3865.3","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-(3-thienyl)malonato- κ^2^<i>O</i>,<i>O</i>']zinc(II) dihydrate","","- C17 H18 N2 O7 S Zn -","- C17 H18 N2 O7 S Zn -","- C136 H144 N16 O56 S8 Zn8 -","8","1","XU2654","Meng, Cai-Xia; Zheng, Xue-Gang; Fu, Feng; Zhang, Xiao-Ning; Zhang, Peng","Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-(3-thienyl)malonato-κ^2^<i>O</i>,<i>O</i>']zinc(II) dihydrate","Acta Crystallographica Section E","2009","65","12","m1604","m1605","10.1107/S1600536809047448","","","0.71073","MoKα","","0.0671","0.0349","","","0.0814","0.0938","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224518","10.5622","0.0003","19.676","0.0007","20.298","0.0007","90","","90","","90","","4218.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(4-hydroxypyridinium) hydrogen sulfate‒sulfate monohydrate","","- C15 H21 N3 O12 S2 -","- C15 H21 N3 O12 S2 -","- C120 H168 N24 O96 S16 -","8","1","XU2676","Xu, Ying-Ming; Gao, Shan; Ng, Seik Weng","Tris(4-hydroxypyridinium) hydrogen sulfate‒sulfate monohydrate","Acta Crystallographica Section E","2009","65","12","o3147","","10.1107/S1600536809048545","","","0.71073","MoKα","","0.0771","0.045","","","0.1136","0.1332","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224535","6.3953","0.0009","12.2472","0.0018","13.6613","0.0019","90","","90","","90","","1070","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-methylpyrazine 1,4-dioxide","2-Methylpyrazine 1,4-dioxide","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","1","ZL2250","Gratton, Jessica L.; Knaust, Jacqueline M.","2-Methylpyrazine 1,4-dioxide","Acta Crystallographica Section E","2009","65","12","o3040","","10.1107/S1600536809046534","","","0.71073","MoKα","","0.0584","0.0458","","","0.1137","0.1215","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224553","11.452","0.002","11.41","0.002","34.867","0.007","90","","90","","90","","4556","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-methylimidazolium chloride 0.25-hydrate","","- C11 H13.5 Cl N2 O0.25 -","- C11 H13.5 Cl N2 O0.25 -","- C176 H216 Cl16 N32 O4 -","16","2","BQ2176","Ji, Xiujie; Cheng, Bowen; Song, Jun; Liu, Chao","1-Benzyl-3-methylimidazolium chloride 0.25-hydrate","Acta Crystallographica Section E","2010","66","1","o218","","10.1107/S1600536809053306","","","0.71073","MoKα","","0.0477","0.0424","","","0.1153","0.1194","","","","","","1.084","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2224583","9.7171","0.0004","8.2834","0.0005","27.4857","0.0016","90","","90","","90","","2212.3","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3,4-Dichlorophenyl)-3-oxobutanamide","","- C10 H9 Cl2 N O2 -","- C10 H9 Cl2 N O2 -","- C80 H72 Cl16 N8 O16 -","8","1","CI2974","Jotani, Mukesh M.; Jasinski, Jerry P.; Baldaniya, Bharat B.; Butcher, Ray J.","<i>N</i>-(3,4-Dichlorophenyl)-3-oxobutanamide","Acta Crystallographica Section E","2010","66","1","o58","o59","10.1107/S1600536809051307","","","0.71073","MoKα","","0.1224","0.0476","","","0.107","0.123","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224669","11.4248","0.0003","8.9155","0.0002","27.628","0.0008","90","","90","","90","","2814.13","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(6-Benzoyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid","","- C16 H11 N O4 S -","- C16 H11 N O4 S -","- C128 H88 N8 O32 S8 -","8","1","HG2616","Aydın, Abdullah; Akkurt, Mehmet; Önkol, Tijen; Büyükgüngör, Orhan; Şahin, M. Fethi","2-(6-Benzoyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid","Acta Crystallographica Section E","2010","66","1","o168","","10.1107/S160053680905329X","","","0.71073","MoKα","","0.05","0.0331","","","0.0786","0.0837","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224730","14.7502","0.0006","13.4881","0.0004","15.9624","0.0007","90","","90","","90","","3175.8","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diiodide","","- C6 H24 I2 N6 Ni -","- C6 H24 I2 N6 Ni -","- C48 H192 I16 N48 Ni8 -","8","1","PB2013","Brewer, Greg; Butcher, Ray J.; Jasinski, Jerry P.","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) diiodide","Acta Crystallographica Section E","2010","66","1","m103","m104","10.1107/S1600536809054580","","","0.71073","MoKα","","0.0793","0.034","","","0.0761","0.0909","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224784","11.3164","0.0003","9.5029","0.0005","12.3877","0.0005","90","","90","","90","","1332.16","0.1","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Amino-1-methylpyrazin-1-ium chloride","","- C5 H8 Cl N3 -","- C5 H8 Cl N3 -","- C40 H64 Cl8 N24 -","8","1","TK2586","Foucher, Daniel; Wylie, Stephen; Acosta, Joshua; Lough, Alan J.","3-Amino-1-methylpyrazin-1-ium chloride","Acta Crystallographica Section E","2010","66","1","o61","","10.1107/S1600536809051265","","","0.71073","MoKα","","0.063","0.04","","","0.097","0.111","","","","","","1.1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224869","10.961","0.0009","16.8078","0.0013","21.3118","0.0017","90","","90","","90","","3926.3","0.5","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Methyl-5-phenyl-1-(3-phenylisoquinolin-1-yl)-1<i>H</i>-pyrazole","","- C25 H19 N3 -","- C25 H19 N3 -","- C200 H152 N24 -","8","1","BT5159","Khan, F. Nawaz; Manivel, P.; Kone, Sriramakrishnaswamy; Hathwar, Venkatesha R.; Ng, Seik Weng","3-Methyl-5-phenyl-1-(3-phenylisoquinolin-1-yl)-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2010","66","2","o368","","10.1107/S160053680905572X","","","0.71073","MoKα","","0.1062","0.0586","","","0.1391","0.1721","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224955","13.7374","0.0013","14.7647","0.0011","19.2829","0.0012","90","","90","","90","","3911.1","0.5","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-7-<i>tert</i>- Butyldimethylsilyloxy-4,10-dimethyltetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan- 2-one","","- C20 H34 O2 Si -","- C20 H34 O2 Si -","- C160 H272 O16 Si8 -","8","1","FK2011","Weyermann, Philipp; Keese, Reinhart; Stoeckli-Evans, Helen","<i>cis</i>,<i>trans</i>,<i>cis</i>,<i>cis</i>-7-<i>tert</i>-Butyldimethylsilyloxy-4,10-dimethyltetracyclo[5.4.1.0^4,12^.0^10,12^]dodecan-2-one","Acta Crystallographica Section E","2010","66","2","o340","","10.1107/S1600536810000887","","","0.71073","MoKα","","0.074","0.0481","","","0.1031","0.1158","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224958","9.1807","0.0001","14.5693","0.0002","15.7576","0.0002","90","","90","","90","","2107.68","0.05","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>trans</i>-1-Phenylpyrrolidine-2,5-dicarbonitrile","","- C12 H11 N3 -","- C12 H11 N3 -","- C96 H88 N24 -","8","1","FL2285","Han, Wei; Ofial, Armin R.; Mayer, Peter","<i>trans</i>-1-Phenylpyrrolidine-2,5-dicarbonitrile","Acta Crystallographica Section E","2010","66","2","o379","","10.1107/S1600536810001479","","","0.71073","MoKα","","0.0452","0.0391","","","0.1026","0.107","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224974","6.9291","0.0009","11.7602","0.001","30.958","0.004","90","","90","","90","","2522.7","0.5","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5-{[(<i>E</i>)-2-(4-Iodophenyl)hydrazinylidene]methyl}thiophene-2-carbaldehyde","","- C12 H9 I N2 O S -","- C12 H9 I N2 O S -","- C96 H72 I8 N16 O8 S8 -","8","1","HB5284","Wardell, Solange M. S. V.; de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.","5-{[(<i>E</i>)-2-(4-Iodophenyl)hydrazinylidene]methyl}thiophene-2-carbaldehyde","Acta Crystallographica Section E","2010","66","2","o271","o272","10.1107/S1600536809055172","","","0.71073","MoKα","","0.107","0.058","","","0.097","0.113","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225029","12.7035","0.0004","10.3897","0.0003","17.0899","0.0006","90","","90","","90","","2255.62","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-[(4-Bromobenzylidene)amino]phenol","","- C13 H10 Br N O -","- C13 H10 Br N O -","- C104 H80 Br8 N8 O8 -","8","1","IS2508","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Gunasekaran, B.; Manivannan, V.","(<i>E</i>)-4-[(4-Bromobenzylidene)amino]phenol","Acta Crystallographica Section E","2010","66","2","o316","","10.1107/S160053680905538X","","","0.71073","MoKα","","0.0715","0.0348","","","0.0742","0.0862","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225103","14.6463","0.0013","11.8634","0.001","23.604","0.002","90","","90","","90","","4101.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,8-Di-<i>tert</i>-butyl-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C184 H200 N8 O32 -","8","1","RZ2409","Zhou, XiaoFeng","6,8-Di-<i>tert</i>-butyl-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2010","66","2","o478","","10.1107/S1600536810002321","","","0.71073","MoKα","","0.0903","0.0463","","","0.1139","0.1395","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225121","8.2531","0.0001","13.0278","0.0002","22.3655","0.0004","90","","90","","90","","2404.73","0.06","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Dithiodianiline","2,2'-(disulfanediyl)dianiline","","- C12 H12 N2 S2 -","- C12 H12 N2 S2 -","- C96 H96 N16 S16 -","8","1","TK2598","Goh, Jia Hao; Fun, Hoong-Kun; Babu, M.; Kalluraya, B.","2,2'-Dithiodianiline: a redetermination at 100K","Acta Crystallographica Section E","2010","66","2","o292","o293","10.1107/S1600536810000024","","","0.71073","MoKα","","0.056","0.048","","","0.117","0.124","","","","","","1.19","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225151","8.605","0.003","11.659","0.003","31.347","0.009","90","","90","","90","","3144.9","1.6","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 2-methyl-2-(4-methylbenzoyl)propanoate","","- C16 H22 O3 -","- C16 H22 O3 -","- C128 H176 O24 -","8","1","ZL2266","Gould, Graham B.; Jackman, Brock G.; Logue, Marshall W.; Luck, Rudy L.; Pignotti, Louis R.; Smith, Adrian R.; White, Nicholas M.","<i>tert</i>-Butyl 2-methyl-2-(4-methylbenzoyl)propanoate","Acta Crystallographica Section E","2010","66","2","o491","o492","10.1107/S1600536810003144","","","0.71073","MoKα","","0.143","0.049","","","","0.134","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225201","18.07","0.004","11.76","0.003","18.221","0.003","90","","90","","90","","3872","1.5","90","0.5","90","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,1'-[1,3-Phenylenebis(methylene)]bis(3-<i>tert</i>-butylurea)","3,3'-Di-<i>tert</i>-butyl-1,1'-[1,3-phenylenebis(methylene)]diurea","","- C18 H30 N4 O2 -","- C18 H30 N4 O2 -","- C144 H240 N32 O16 -","8","1","CI5033","Saeed, Musabbir A.; Fronczek, Frank R.; Hossain, Md. Alamgir","3,3'-Di-<i>tert</i>-butyl-1,1'-[1,3-phenylenebis(methylene)]diurea","Acta Crystallographica Section E","2010","66","3","o656","o657","10.1107/S1600536810005866","","","0.71073","MoKα","","0.15","0.081","","","0.202","0.235","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225217","9.8623","0.0005","8.0576","0.0004","20.9268","0.0009","90","","90","","90","","1662.98","0.14","296","2","296","2","101","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(cyanomethyl)benzamide","<i>N</i>-(Cyanomethyl)benzamide","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C72 H64 N16 O8 -","8","1","DN2533","Aouine, Younas; Alami, Anouar; El Hallaoui, Abdelilah; Elachqar, Abdelrhani; Zouihri, Hafid","<i>N</i>-(Cyanomethyl)benzamide","Acta Crystallographica Section E","2010","66","3","o530","","10.1107/S1600536810003557","","","0.71073","MoKα","","0.0552","0.0379","","","0.0972","0.1091","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225326","16.6","0.003","11.947","0.002","26.257","0.005","90","","90","","90","","5207.3","1.6","89","2","89","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(5-Ammoniopentyl)triphenylphosphonium dibromide ethanol solvate","","- C25 H34 Br2 N O P -","- C25 H34 Br2 N O P -","- C200 H272 Br16 N8 O8 P8 -","8","1","NC2175","Evans, Cameron","(5-Ammoniopentyl)triphenylphosphonium dibromide ethanol solvate","Acta Crystallographica Section E","2010","66","3","o502","o503","10.1107/S1600536810003193","","","0.71073","MoKα","","0.035","0.0241","","","0.0519","0.0562","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225344","14.3179","0.0006","15.5045","0.0007","16.9664","0.0008","90","","90","","90","","3766.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate","","- C18 H17 Cl2 N O4 -","- C18 H17 Cl2 N O4 -","- C144 H136 Cl16 N8 O32 -","8","1","PK2222","Luo, Jing; Chen, Hui; Wang, Qiao-Feng; Liu, Hai-Jing","3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2010","66","3","o538","","10.1107/S1600536810003235","","","0.71073","MoKα","","0.119","0.0555","","","0.1234","0.1531","","","","","","0.998","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225417","10.5904","0.0003","16.9189","0.0005","30.5713","0.001","90","","90","","90","","5477.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,6-Trimethyl-1-(3-methylphenyl)-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","","- C14 H18 N2 S -","- C14 H18 N2 S -","- C224 H288 N32 S16 -","16","2","ZS2028","Saeed, Aamer; Khera, Rasheed Ahmad; Parvez, Masood","4,4,6-Trimethyl-1-(3-methylphenyl)-3,4-dihydropyrimidine-2(1<i>H</i>)-thione","Acta Crystallographica Section E","2010","66","3","o635","","10.1107/S1600536810004708","","","0.71073","MoKα","","0.09","0.049","","","0.096","0.115","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225454","14.719","0.003","9.1302","0.0016","20.597","0.004","90","","90","","90","","2768","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Allyl-2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolate","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","CI5052","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Allyl-2-[(2-hydroxyphenyl)iminiomethyl]-6-methoxyphenolate","Acta Crystallographica Section E","2010","66","4","o934","o935","10.1107/S160053681000838X","","","0.71073","MoKα","","0.0863","0.0522","","","0.1233","0.1413","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225467","10.0308","0.0008","11.181","0.0009","19.036","0.002","90","","90","","90","","2135","0.3","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorophenyl)succinamic acid","","- C10 H10 Cl N O3 -","- C10 H10 Cl N O3 -","- C80 H80 Cl8 N8 O24 -","8","1","BT5210","Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut","<i>N</i>-(3-Chlorophenyl)succinamic acid","Acta Crystallographica Section E","2010","66","4","o842","","10.1107/S1600536810008949","","","0.71073","MoKα","","0.1327","0.058","","","0.1227","0.1524","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225503","15.587","0.003","7.6042","0.0012","27.773","0.004","90","","90","","90","","3291.8","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(6-Ferrocenylhexyl)-1<i>H</i>-imidazole","","- C19 H24 Fe N2 -","- C19 H24 Fe N2 -","- C152 H192 Fe8 N16 -","8","1","DN2540","Nyamori, Vincent O.; Bala, Muhammad D.; Levendis, Demetrius C.","1-(6-Ferrocenylhexyl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2010","66","4","m412","","10.1107/S1600536810007737","","","0.71073","MoKα","","0.0802","0.0421","","","0.0903","0.101","","","","","","0.978","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225524","19.3312","0.001","15.1116","0.0007","19.811","0.001","90","","90","","90","","5787.3","0.5","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-phenylthiocarbamato- κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I)","","- C28 H45 Au N O P S -","- C28 H45 Au N O P S -","- C224 H360 Au8 N8 O8 P8 S8 -","8","1","EZ2204","Tadbuppa, Primjira P.; Tiekink, Edward R. T.","[(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-phenylthiocarbamato-κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I)","Acta Crystallographica Section E","2010","66","4","m429","","10.1107/S1600536810009906","","","0.71069","MoKα","","0.029","0.021","","","0.048","0.05","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225562","9.646","0.0009","9.0192","0.0004","19.3281","0.0005","90","","90","","90","","1681.53","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)ethanimidamide","","- C8 H9 Cl N2 -","- C8 H9 Cl N2 -","- C64 H72 Cl8 N16 -","8","1","HG2664","Boechat, Nubia; Kover, Warner B.; Ferreira, Sabrina B.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","<i>N</i>-(4-Chlorophenyl)ethanimidamide","Acta Crystallographica Section E","2010","66","4","o958","","10.1107/S1600536810011013","","","0.71073","MoKα","","0.096","0.047","","","0.114","0.15","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225590","8.3042","0.0002","15.5101","0.0004","24.0192","0.0006","90","","90","","90","","3093.65","0.13","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methoxy-9-phenoxyacridine","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","1","NG2741","Trzybiński, Damian; Zadykowicz, Beata; Krzymiński, Karol; Sikorski, Artur; Błażejowski, Jerzy","2-Methoxy-9-phenoxyacridine","Acta Crystallographica Section E","2010","66","4","o828","o829","10.1107/S1600536810008962","","","0.71073","MoKα","","0.0353","0.0294","","","0.083","0.0856","","","","","","1.104","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225591","11.0731","0.0003","8.6571","0.0002","25.3436","0.0007","90","","90","","90","","2429.46","0.11","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1<i>H</i>-Benzotriazol-1-yl)-1-phenylethanol","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C112 H104 N24 O8 -","8","1","IM2186","Özel Güven, Özden; Bayraktar, Meral; Coles, Simon J.; Hökelek, Tuncer","2-(1<i>H</i>-Benzotriazol-1-yl)-1-phenylethanol","Acta Crystallographica Section E","2010","66","4","o959","","10.1107/S1600536810011098","","","0.71073","MoKα","","0.0516","0.0446","","","0.0998","0.1047","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225605","14.1248","0.0006","10.4126","0.0005","19.7639","0.001","90","","90","","90","","2906.8","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-Ethyl-4-methyl-<i>N</i>-phenylbenzenesulfonamide","<i>N</i>-Ethyl-<i>N</i>-phenyl-<i>p</i>-toluenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","NG2749","Khan, Islam Ullah; Haider, Zeeshan; Arshad, Muhammad Nadeem; Ali, Sharafat","<i>N</i>-Ethyl-<i>N</i>-phenyl-<i>p</i>-toluenesulfonamide","Acta Crystallographica Section E","2010","66","4","o979","","10.1107/S1600536810011219","","","0.71073","MoKα","","0.1166","0.0497","","","0.1236","0.1574","","","","","","1","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2225621","14.725","0.004","14.464","0.004","15.474","0.003","90","","90","","90","","3295.7","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,6,7,8-Tetrahydroquinoline 1-oxide hemihydrate","","- C9 H12 N O1.5 -","- C9 H12 N O1.5 -","- C144 H192 N16 O24 -","16","2","JJ2025","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Urbańczyk-Lipkowska, Zofia; Kalicki, Przemysław","5,6,7,8-Tetrahydroquinoline 1-oxide hemihydrate","Acta Crystallographica Section E","2010","66","4","o806","o807","10.1107/S1600536810008779","","","1.54178","CuKα","","0.0807","0.0512","","","0.1591","0.2048","","","","","","1.388","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2225662","10.1017","0.0004","8.3889","0.0008","29.127","0.002","90","","90","","90","","2468.3","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-(4-Fluorophenyl)-4-(4-pyridyl)-1,3-oxazol-2-amine","","- C14 H10 F N3 O -","- C14 H10 F N3 O -","- C112 H80 F8 N24 O8 -","8","1","NC2179","Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","5-(4-Fluorophenyl)-4-(4-pyridyl)-1,3-oxazol-2-amine","Acta Crystallographica Section E","2010","66","4","o917","","10.1107/S1600536810009189","","","1.54178","CuKα","","0.0568","0.043","","","0.1097","0.1186","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225682","18.104","0.006","8.612","0.003","18.985","0.006","90","","90","","90","","2960","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-[Bis(4-fluorophenyl)methylene]aniline","","- C19 H13 F2 N -","- C19 H13 F2 N -","- C152 H104 F16 N8 -","8","1","RZ2421","Zhang, Mei-Lin; Yang, Jie","<i>N</i>-[Bis(4-fluorophenyl)methylene]aniline","Acta Crystallographica Section E","2010","66","4","o727","","10.1107/S1600536810007099","","","0.71073","MoKα","","0.0477","0.0354","","","0.1024","0.1154","","","","","","0.982","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225694","12.1605","0.0014","12.6338","0.0015","19.87","0.002","90","","90","","90","","3052.7","0.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(1,4,7,10-Tetraoxacyclododecane)(trideuteroacetonitrile)lithium perchlorate","","- C10 H16 Cl D3 Li N O8 -","- C10 H19 Cl Li N O8 -","- C80 H152 Cl8 Li8 N8 O64 -","8","1","SI2247","Guzei, Ilia A.; Spencer, Lara C.; Xiao, Lingyun; Burnette, Ronald R.","(1,4,7,10-Tetraoxacyclododecane)(trideuteroacetonitrile)lithium perchlorate","Acta Crystallographica Section E","2010","66","4","m440","m441","10.1107/S1600536810009530","","","0.71073","MoKα","","0.0859","0.0726","","","0.1963","0.2143","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225696","9.0698","0.0013","15.778","0.002","24.889","0.004","90","","90","","90","","3561.7","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-[3-(4-nitrobenzoyl)thioureido]benzoate","","- C17 H15 N3 O5 S -","- C17 H15 N3 O5 S -","- C136 H120 N24 O40 S8 -","8","1","SI2248","Saeed, Sohail; Rashid, Naghmana; Wong, Wing-Tak","Ethyl 2-[3-(4-nitrobenzoyl)thioureido]benzoate","Acta Crystallographica Section E","2010","66","4","o980","","10.1107/S1600536810011116","","","0.71073","MoKα","","0.0884","0.0593","","","0.154","0.1705","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225707","15.756","0.002","11.2475","0.0014","19.779","0.003","90","","90","","90","","3505.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Bromo-4-dibenzylamino-5-methoxyfuran-2(5<i>H</i>)-one","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C152 H144 Br8 N8 O24 -","8","1","XU2724","Fu, Jian-Hua; Li, Zhao-Yang; Wang, Zhao-Yang; Ye, Rui-Rong","3-Bromo-4-dibenzylamino-5-methoxyfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2010","66","4","o769","","10.1107/S1600536810008007","","","0.71073","MoKα","","0.0844","0.0355","","","0.0713","0.0893","","","","","","0.996","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225727","27.746","0.012","14.035","0.005","7.357","0.003","90","","90","","90","","2865","2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C120 H152 N8 O32 -","8","1","SJ2755","Gainsford, Graeme J.; Mason, Jennifer M.","Ethyl 1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate","Acta Crystallographica Section E","2010","66","4","o957","","10.1107/S1600536810010834","","","0.71073","MoKα","","0.2314","0.0493","","","0.0776","0.1384","","","","","","1.104","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225744","14.7245","0.0013","11.196","0.001","18.406","0.0016","90","","90","","90","","3034.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{2-Hydroxy-6-[(2-oxidophenyl)iminomethyl-κ^2^<i>N</i>,<i>O</i>]phenolato- κ<i>O</i>^1^}phenylboron","","- C19 H14 B N O3 -","- C19 H14 B N O3 -","- C152 H112 B8 N8 O24 -","8","1","TK2636","Vega, Araceli; Tlahuext, Hugo; Höpfl, Herbert","{2-Hydroxy-6-[(2-oxidophenyl)iminomethyl-κ^2^<i>N</i>,<i>O</i>]phenolato-κ<i>O</i>^1^}phenylboron","Acta Crystallographica Section E","2010","66","4","o758","","10.1107/S1600536810007609","","","0.71073","MoKα","","0.1166","0.0606","","","0.1109","0.127","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225763","7.2667","0.0005","10.2058","0.0007","34.239","0.003","90","","90","","90","","2539.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-cyclohexyl-3-(2-furoyl)thiourea","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C96 H128 N16 O16 S8 -","8","1","BQ2204","Duque, J.; Estévez, O.; Jancik, V.; Yee-Madeira, H.","Redetermination of 1-cyclohexyl-3-(2-furoyl)thiourea","Acta Crystallographica Section E","2010","66","5","o1106","","10.1107/S1600536810013693","","","0.71073","MoKα","","","0.0329","","","","0.0718","","","","","","1.202","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225769","13.0385","0.0013","8.7129","0.0007","22.424","0.002","90","","90","","90","","2547.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[4-(2-Aminoanilino)phenyl]-2,2,2-trifluoroethanone","","- C14 H11 F3 N2 O -","- C14 H11 F3 N2 O -","- C112 H88 F24 N16 O8 -","8","1","BT5212","Dorn, Angelika; Schollmeyer, Dieter; Laufer, Stefan A.","1-[4-(2-Aminoanilino)phenyl]-2,2,2-trifluoroethanone","Acta Crystallographica Section E","2010","66","5","o1149","","10.1107/S1600536810008937","","","0.71073","MoKα","","0.0561","0.0446","","","0.1174","0.1273","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225790","9.55","0.001","10.104","0.002","28.133","0.004","90","","90","","90","","2714.6","0.7","299","2","299","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","1","BT5253","Gowda, B. Thimme; Foro, Sabine; Rodrigues, Vinola Z.; Fuess, Hartmut","4-Chloro-<i>N</i>-(3,4-dimethylphenyl)benzamide","Acta Crystallographica Section E","2010","66","5","o1204","","10.1107/S1600536810014972","","","0.71073","MoKα","","0.1575","0.0859","","","0.1644","0.1928","","","","","","1.161","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225809","8.979","0.0018","18.5","0.004","20.05","0.004","90","","90","","90","","3330.5","1.2","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>Z</i>)-4-[(Cyclopropylamino)(phenyl)methylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C160 H152 N24 O8 -","8","1","CI5077","Xu, Hai-Zhen; Yang, Yan-Xia; Zhu, You-Quan","(4<i>Z</i>)-4-[(Cyclopropylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2010","66","5","o1123","","10.1107/S1600536810013723","","","1.54187","CuKα","","0.0435","0.0395","","","0.0986","0.1036","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225820","23.975","0.005","13.935","0.004","13.647","0.009","90","","90","","90","","4559","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI)","","- C26 H56 Mo8 N4 O26 -","- C26 H56 Mo8 N4 O26 -","- C104 H224 Mo32 N16 O104 -","4","0.5","DN2553","Driss, Mohamed; Ksiksi, Rekaya; Ben Amor, Fatma; Zid, Mohamed Faouzi","Bis[4,4'-(propane-1,3-diyl)dipiperidinium] β-octamolybdate(VI)","Acta Crystallographica Section E","2010","66","5","m533","m534","10.1107/S1600536810013632","","","0.71073","MoKα","","0.0514","0.0355","","","0.0904","0.0993","","","","","","1.083","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225844","12.803","0.001","9.146","0.001","20.221","0.003","90","","90","","90","","2367.8","0.5","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2,2-Tribromo-<i>N</i>-(3-chlorophenyl)acetamide","","- C8 H5 Br3 Cl N O -","- C8 H5 Br3 Cl N O -","- C64 H40 Br24 Cl8 N8 O8 -","8","1","FL2301","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","2,2,2-Tribromo-<i>N</i>-(3-chlorophenyl)acetamide","Acta Crystallographica Section E","2010","66","5","o1140","","10.1107/S160053681001411X","","","1.5418","CuKα","","0.1253","0.0858","","","0.2899","0.3871","","","","","","1.585","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225846","12.3321","0.0019","13.3657","0.0019","25.426","0.004","90","","90","","90","","4190.9","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl- κ<i>C</i>^1^]bis(trimethylphosphine-κ<i>P</i>)cobalt(III)","","- C13 H18 Cl2 Co F7 P2 -","- C13 H18 Cl2 Co F7 P2 -","- C104 H144 Cl16 Co8 F56 P16 -","8","1","GK2264","Zheng, Tingting; Sun, Hongjian","Dichlorido[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl-κ<i>C</i>^1^]bis(trimethylphosphine-κ<i>P</i>)cobalt(III)","Acta Crystallographica Section E","2010","66","5","m574","","10.1107/S1600536810014066","","","0.71073","MoKα","","0.09","0.0607","","","0.1644","0.186","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225865","10.473","0.005","9.269","0.003","26.468","0.005","90","","90","","90","","2569.4","1.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1-(Carboxymethyl)cyclohexyl]methanaminium dihydrogen phosphate","","- C9 H20 N O6 P -","- C9 H20 N O6 P -","- C72 H160 N8 O48 P8 -","8","1","HB5398","Razzaq, Syed Naeem; Khan, Islam Ullah; Şahin, Onur; Büyükgüngör, Orhan","[1-(Carboxymethyl)cyclohexyl]methanaminium dihydrogen phosphate","Acta Crystallographica Section E","2010","66","5","o1074","","10.1107/S1600536810012973","","","0.71073","MoKα","","0.1112","0.0514","","","0.1154","0.1546","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225874","9.7591","0.0014","22.133","0.003","22.29","0.003","90","","90","","90","","4814.6","1.2","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Chlorophenyl)-3,6-diphenyl-1,2,3,4,5,6,7,8-octahydro-9<i>H</i>-xanthene- 1,8-dione","","- C31 H25 Cl O3 -","- C31 H25 Cl O3 -","- C248 H200 Cl8 O24 -","8","1","HB5410","Cui, Bin; Jin, Yan; Wang, Fang-Ming; Chen, Li-Zhuang; Han, Guang-Fan","9-(4-Chlorophenyl)-3,6-diphenyl-1,2,3,4,5,6,7,8-octahydro-9<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2010","66","5","o1217","","10.1107/S1600536810015151","","","0.71073","MoKα","","0.1874","0.0884","","","0.1353","0.1649","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225911","15.794","0.003","15.82","0.003","9.739","0.002","90","","90","","90","","2433.4","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-[Bis(dimethylamino)phosphinoyl]-2,2,2-trichloroacetamide","","- C6 H13 Cl3 N3 O2 P -","- C6 H13 Cl3 N3 O2 P -","- C48 H104 Cl24 N24 O16 P8 -","8","1","JH2144","Amirkhanov, Oleksiy V.; Moroz, Olesia V.; Znovjyak, Kateryna O.; Trush, Elizaveta A.; Sliva, Tetyana Yu.","<i>N</i>-[Bis(dimethylamino)phosphinoyl]-2,2,2-trichloroacetamide","Acta Crystallographica Section E","2010","66","5","o1102","","10.1107/S1600536810013589","","","0.71073","MoKα","","0.0381","0.0298","","","0.0696","0.0723","","","","","","1.154","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225935","17.793","0.004","10.143","0.005","18.279","0.005","90","","90","","90","","3299","2","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2',10'-Dibromospiro[cylohexane-1,6-dibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine]","","- C18 H16 Br2 O2 -","- C18 H16 Br2 O2 -","- C144 H128 Br16 O16 -","8","1","NG2752","Zhang, Cheng-Bo; Zhang, Hai-Quan; Li, Qing-Shan; Xing, Guang-Zhong","2',10'-Dibromospiro[cylohexane-1,6-dibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine]","Acta Crystallographica Section E","2010","66","5","o1047","","10.1107/S1600536810012535","","","0.71073","MoKα","","0.0914","0.0445","","","0.0941","0.1111","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225962","7.1614","0.0003","18.0957","0.0007","26.4021","0.0009","90","","90","","90","","3421.5","0.2","290","2","290","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H14 N4 -","- C23 H14 N4 -","- C184 H112 N32 -","8","1","RK2199","Khan, F. Nawaz; Manivel, P.; Prabakaran, K.; Hathwar, Venkatesha R.; Akkurt, Mehmet","4-(5-Phenyl-1,2,4-triazolo[3,4-<i>a</i>]isoquinolin-3-yl)benzonitrile","Acta Crystallographica Section E","2010","66","5","o1081","","10.1107/S1600536810013012","","","0.71073","MoKα","","0.1219","0.0455","","","0.0877","0.1","","","","","","0.812","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225988","14.068","0.003","20.942","0.004","26.515","0.005","90","","90","","90","","7812","3","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl <i>N</i>-[6-(<i>N</i>,<i>N</i>-dipropylcarbamoyl)- 1,3-benzothiazol-2-yl]carbamate","","- C19 H27 N3 O3 S -","- C19 H27 N3 O3 S -","- C304 H432 N48 O48 S16 -","16","2","SJ2775","Fang, Xin; Lei, Can; Yu, Hai-Yang; Huang, Ming-Dong; Wang, Jun-Dong","<i>tert</i>-Butyl <i>N</i>-[6-(<i>N</i>,<i>N</i>-dipropylcarbamoyl)-1,3-benzothiazol-2-yl]carbamate","Acta Crystallographica Section E","2010","66","5","o1239","o1240","10.1107/S160053681001528X","","","0.71073","MoKα","","0.0561","0.0547","","","0.1132","0.1139","","","","","","1.265","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226019","13.553","0.003","9.1756","0.0018","14.264","0.003","90","","90","","90","","1773.8","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[dimethanolbis[μ-5-(3-pyridyl)tetrazolato- κ^2^<i>N</i>^2^:<i>N</i>^5^]copper(II)]","","- C14 H16 Cu N10 O2 -","- C14 H16 Cu N10 O2 -","- C56 H64 Cu4 N40 O8 -","4","0.5","XU2736","Wei, Xiao-Hong","Poly[dimethanolbis[μ-5-(3-pyridyl)tetrazolato-κ^2^<i>N</i>^2^:<i>N</i>^5^]copper(II)]","Acta Crystallographica Section E","2010","66","5","m551","","10.1107/S1600536810013553","","","0.71073","MoKα","","0.0449","0.0308","","","0.0895","0.1018","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226025","12.9496","0.0008","8.6028","0.0006","24.324","0.002","90","","90","","90","","2709.8","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)hydrazinyl]benzonitrile","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C120 H120 N24 O16 -","8","1","XU2749","Çolak, Naki; Aksakal, Didem; Andaç, Ömer; Büyükgüngör, Orhan","3-[2-(4,4-Dimethyl-2,6-dioxocyclohexylidene)hydrazinyl]benzonitrile","Acta Crystallographica Section E","2010","66","5","o1165","o1166","10.1107/S1600536810013164","","","0.71073","MoKα","","0.1013","0.0435","","","0.0769","0.0897","","","","","","0.849","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226031","15.161","0.003","18.194","0.004","21.41","0.004","90","","90","","90","","5906","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Co I O2 P3 -","- C30 H34 Co I O2 P3 -","- C240 H272 Co8 I8 O16 P24 -","8","1","ZQ2034","Xu, Guoqiang; Li, Xiaoyan","{1,3-Bis[(diphenylphosphanyl-κ<i>P</i>)oxy]prop-2-yl-κ<i>C</i>^2^}iodido(trimethylphosphane)cobalt(II)","Acta Crystallographica Section E","2010","66","5","m545","","10.1107/S1600536810013747","","","0.71073","MoKα","","0.0302","0.0238","","","0.0569","0.0606","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226058","12.4487","0.0008","13.4619","0.0008","17.455","0.001","90","","90","","90","","2925.2","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C112 H96 Cl8 N8 O24 S8 -","8","1","BT5261","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","2-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","6","o1292","","10.1107/S1600536810016235","","","0.71073","MoKα","","0.0467","0.0349","","","0.0877","0.0952","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226072","13.6405","0.0009","9.6495","0.0008","21.116","0.002","90","","90","","90","","2779.4","0.4","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide","","- C13 H9 Cl2 N O3 S -","- C13 H9 Cl2 N O3 S -","- C104 H72 Cl16 N8 O24 S8 -","8","1","BX2279","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","4-Chloro-<i>N</i>-(4-chlorobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","6","o1253","","10.1107/S160053681001559X","","","0.71073","MoKα","","0.0665","0.045","","","0.0912","0.1016","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226075","17.4415","0.0013","14.009","0.001","26.35","0.002","90","","90","","90","","6438.3","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-5-methoxyphenolato}copper(II) bis(perchlorate)","","- C26 H40 Cl2 Cu N4 O12 -","- C26 H40 Cl2 Cu N4 O12 -","- C208 H320 Cl16 Cu8 N32 O96 -","8","1","CI5083","Wang, Chen-Yi; Cao, Feng; Wang, Ping; Wu, Xiang; Yuan, Cai-Jun","Bis{2-[2-(isopropylammonio)ethyliminomethyl]-5-methoxyphenolato}copper(II) bis(perchlorate)","Acta Crystallographica Section E","2010","66","6","m669","m670","10.1107/S1600536810017472","","","0.71073","MoKα","","0.1512","0.0591","","","0.1377","0.1815","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226078","7.4303","0.0004","15.3567","0.0006","29.6732","0.0013","90","","90","","90","","3385.9","0.3","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Formyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","CI5087","Ravichandran, K.; Ramesh, P.; Sakthivel, P.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Formyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2010","66","6","o1505","","10.1107/S1600536810018490","","","0.71073","MoKα","","0.1239","0.0585","","","0.1541","0.1937","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226081","15.0117","0.0012","13.3421","0.0011","20.0242","0.0016","90","","90","","90","","4010.6","0.6","292","2","292","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-phenyl-1,2,3,3a,4,4a,5,12c- octahydronaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C208 H200 N8 O24 -","8","1","CI5092","Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.","Methyl 4-phenyl-1,2,3,3a,4,4a,5,12c-octahydronaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate","Acta Crystallographica Section E","2010","66","6","o1345","","10.1107/S1600536810017307","","","0.71073","MoKα","","0.0577","0.047","","","0.1256","0.1338","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226085","11.1239","0.0001","15.7484","0.0002","32.44","0.0004","90","","90","","90","","5682.96","0.11","123","0.1","123","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](trifluoroacetato)palladium(II)","","- C26 H43 F3 O2 P2 Pd -","- C26 H43 F3 O2 P2 Pd -","- C208 H344 F24 O16 P16 Pd8 -","8","1","CV2705","Johnson, Magnus T.; Cetina, Mario; Rissanen, Kari; Wendt, Ola F.","[2,6-Bis(di-<i>tert</i>-butylphosphinomethyl)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'](trifluoroacetato)palladium(II)","Acta Crystallographica Section E","2010","66","6","m675","","10.1107/S1600536810017861","","","0.71073","Mokα","","0.0499","0.0406","","","0.1192","0.135","","","","","","0.981","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226101","13.719","0.001","9.6781","0.0009","21.102","0.002","90","","90","","90","","2801.8","0.4","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(4-methylbenzoyl)benzenesulfonamide","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C112 H96 Cl8 N8 O24 S8 -","8","1","DS2033","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","4-Chloro-<i>N</i>-(4-methylbenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","6","o1501","","10.1107/S1600536810019501","","","0.71073","MoKα","","0.0783","0.0464","","","0.1084","0.1226","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226110","11.032","0.002","7.8423","0.0017","32.14","0.008","90","","90","","90","","2780.6","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(3-Methoxyphenyl)-2,6-dimethylcyclohex-3-enecarboxylic acid","","- C16 H20 O3 -","- C16 H20 O3 -","- C128 H160 O24 -","8","1","FJ2304","Xie, Songwen; Nusbaum, Dannette A.; Stein, Holly J.; Pink, Maren","4-(3-Methoxyphenyl)-2,6-dimethylcyclohex-3-enecarboxylic acid","Acta Crystallographica Section E","2010","66","6","o1443","","10.1107/S1600536810018544","","","0.4428","synchrotron","","0.05","0.0368","","","0.0982","0.119","","","","","","1.105","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226117","11.3533","0.0007","9.4214","0.0005","21.6603","0.0014","90","","90","","90","","2316.9","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-Phenyl-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine","","- C13 H11 N5 -","- C13 H11 N5 -","- C104 H88 N40 -","8","1","GK2271","Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof","<i>N</i>-Phenyl-6-(1<i>H</i>-pyrazol-1-yl)pyridazin-3-amine","Acta Crystallographica Section E","2010","66","6","o1327","","10.1107/S1600536810016697","","","0.71073","MoKα","","0.1","0.0454","","","0.0975","0.1188","","","","","","0.993","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226184","14.7989","0.0011","15.4918","0.0011","22.9079","0.0017","90","","90","","90","","5251.9","0.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Hydroxy-16-[(<i>E</i>)-4-hydroxy-3-methoxybenzylidene]-13-(4-hydroxy- 3-methoxyphenyl)-11-methyl-1,11-\ diazapentacyclo[12.3.1.0^2,10^.0^3,8^.0^10,14^]octadeca-3(8),4,6-triene- 9,15-dione","","- C32 H30 N2 O7 -","- C32 H30 N2 O7 -","- C256 H240 N16 O56 -","8","1","IS2545","Kumar, Raju Suresh; Osman, Hasnah; Ali, Mohamed Ashraf; Hemamalini, Madhukar; Fun, Hoong-Kun","2-Hydroxy-16-[(<i>E</i>)-4-hydroxy-3-methoxybenzylidene]-13-(4-hydroxy-3-methoxyphenyl)-11-methyl-1,11-diazapentacyclo[12.3.1.0^2,10^.0^3,8^.0^10,14^]octadeca-3(8),4,6-triene-9,15-dione","Acta Crystallographica Section E","2010","66","6","o1370","o1371","10.1107/S1600536810017216","","","0.71073","MoKα","","0.067","0.0508","","","0.1283","0.1449","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226189","13.668","0.0012","13.375","0.0008","14.541","0.0014","90","","90","","90","","2658.2","0.4","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxy-5-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C120 H112 O16 S8 -","8","1","JH2143","Thippeswamy, G. B.; Vijay Kumar, D.; Jayashree, B. S.; Sridhar, M. A.; Shashidhara Prasad, J.","1-(2-Hydroxy-5-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","6","o1385","","10.1107/S1600536810017058","","","0.71073","MoKα","","0.0718","0.0576","","","0.1635","0.1824","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226244","11.972","0.002","10.782","0.002","21.165","0.004","90","","90","","90","","2732","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(2-Bromoethyl)-1,4-diazoniabicyclo[2.2.2]octane bromide tetrafluoroborate","","- C8 H17 B Br2 F4 N2 -","- C8 H17 B Br2 F4 N2 -","- C64 H136 B8 Br16 F32 N16 -","8","1","NK2032","Xiao, Jing-mei","1-(2-Bromoethyl)-1,4-diazoniabicyclo[2.2.2]octane bromide tetrafluoroborate","Acta Crystallographica Section E","2010","66","6","o1344","","10.1107/S1600536810017204","","","0.71073","MoKα","","0.1125","0.058","","","0.0931","0.1079","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226278","13.218","0.003","9.4979","0.0019","19.811","0.004","90","","90","","90","","2487.1","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2-Bis[imino(2-pyridyl)methyl]hydrazine","<i>N</i>-(2-Pyridylmethanimidamido)pyridine-2-carboximidamide","","- C12 H12 N6 -","- C12 H12 N6 -","- C96 H96 N48 -","8","1","SI2254","Wang, Yingchun","<i>N</i>-(2-Pyridylmethanimidamido)pyridine-2-carboximidamide","Acta Crystallographica Section E","2010","66","6","o1515","","10.1107/S1600536810016351","","","0.71073","MoKα","","0.1097","0.0725","","","0.2001","0.2223","","","","","","1.086","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226334","9.4498","0.0008","17.0223","0.0016","17.4454","0.0016","90","","90","","90","","2806.2","0.4","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(1<i>H</i>-Benzimidazol-2-ylmethyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C16 H13 N3 O S -","- C16 H13 N3 O S -","- C128 H104 N24 O8 S8 -","8","1","WN2387","Fun, Hoong-Kun; Rosli, Mohd Mustaqim; Gowda, Janardhana; Khader, A. M. A.; Kalluraya, B.","4-(1<i>H</i>-Benzimidazol-2-ylmethyl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2010","66","6","o1495","","10.1107/S1600536810019367","","","0.71073","MoKα","","0.0567","0.0409","","","0.1048","0.1192","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226339","15.5513","0.0012","9.9178","0.0007","21.1542","0.0017","90","","90","","90","","3262.7","0.4","296","1","296","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Ethyl (4a<i>R</i>*,7<i>S</i>*,8<i>S</i>*,8a<i>S</i>*)-1-oxo-7-phenyl- 3,4,4a,7,8,8a-hexahydro-1<i>H</i>-isochromene-8-carboxylate","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","XU2757","Jiang, Xiu Qing; Wu, Jin-Long","Ethyl (4a<i>R</i>*,7<i>S</i>*,8<i>S</i>*,8a<i>S</i>*)-1-oxo-7-phenyl-3,4,4a,7,8,8a-hexahydro-1<i>H</i>-isochromene-8-carboxylate","Acta Crystallographica Section E","2010","66","6","o1367","","10.1107/S1600536810017009","","","0.71073","MoKα","","0.1259","0.0687","","","0.1673","0.1971","","","","","","0.997","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226431","17.8989","0.0004","14.0071","0.0004","27.7222","0.0006","90","","90","","90","","6950.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzyl-1,2,3,4-tetrahydroquinazoline-2,4-dione","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C352 H288 N32 O32 -","16","2","FJ2301","Karimova, Gavhar; Ashurov, Jamshid; Mukhamedov, Nasir; Parpiev, Nusrat A.; Shakhidoyatov, Khusniddin M.","1,3-Dibenzyl-1,2,3,4-tetrahydroquinazoline-2,4-dione","Acta Crystallographica Section E","2010","66","7","o1547","","10.1107/S1600536810019938","","","1.54184","CuKα","","0.0768","0.0414","","","0.0997","0.1115","","","","","","0.898","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226440","9.9616","0.0004","13.602","0.0013","24.4162","0.0017","90","","90","","90","","3308.3","0.4","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 Br O4 -","- C18 H17 Br O4 -","- C144 H136 Br8 O32 -","8","1","FJ2317","Jasinski, Jerry P.; Butcher, Ray J.; Veena, K.; Narayana, B.; Yathirajan, H. S.","(2<i>E</i>)-1-(2-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","7","o1676","","10.1107/S160053681002235X","","","0.71073","MoKα","","0.0431","0.0394","","","0.1094","0.1123","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226450","7.5462","0.0003","18.9324","0.0011","20.0445","0.0009","90","","90","","90","","2863.7","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-[(1<i>E</i>)-1-(2-Aminophenyliminio)ethyl]-2-oxo-2<i>H</i>-chromen-7-olate","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C136 H112 N16 O24 -","8","1","GK2282","Aazam, E. S.; El Husseiny, A. F.; Al-Amri, H. M.; Büyükgüngör, Orhan","8-[(1<i>E</i>)-1-(2-Aminophenyliminio)ethyl]-2-oxo-2<i>H</i>-chromen-7-olate","Acta Crystallographica Section E","2010","66","7","o1796","","10.1107/S1600536810023093","","","0.71073","MoKα","","0.0689","0.0375","","","0.0849","0.0953","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226479","11.628","0.002","7.6638","0.0015","23.873","0.005","90","","90","","90","","2127.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Benzylidenefuran-2-carbohydrazide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C96 H80 N16 O16 -","8","1","HB5485","Li, Yu-Feng; Jian, Fang-Fang","<i>N</i>'-Benzylidenefuran-2-carbohydrazide","Acta Crystallographica Section E","2010","66","7","o1720","","10.1107/S1600536810021471","","","0.71073","MoKα","","0.1431","0.0685","","","0.1495","0.1823","","","","","","0.873","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226485","13.066","0.003","10.128","0.002","19.224","0.004","90","","90","","90","","2544","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Ethyl-1-(4-methoxybenzylidene)thiosemicarbazide","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C88 H120 N24 O8 S8 -","8","1","HB5492","Li, Yu-Feng; Jian, Fang-Fang","4-Ethyl-1-(4-methoxybenzylidene)thiosemicarbazide","Acta Crystallographica Section E","2010","66","7","o1714","","10.1107/S1600536810022919","","","0.71073","MoKα","","0.0617","0.0531","","","0.1478","0.1599","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226563","10.6599","0.0014","9.78","0.0013","16.401","0.002","90","","90","","90","","1709.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Methylanilinium nitrate","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C56 H80 N16 O24 -","8","1","KJ2146","Rademeyer, Melanie; Liles, David C.","3-Methylanilinium nitrate","Acta Crystallographica Section E","2010","66","7","o1685","","10.1107/S1600536810020738","","","0.71073","MoKα","","0.0578","0.0397","","","0.1149","0.1353","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226570","11.7297","0.0004","7.456","0.0002","34.0313","0.0009","90","","90","","90","","2976.26","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Ethylsulfinyl-5-iodo-2-phenyl-1-benzofuran","","- C16 H13 I O2 S -","- C16 H13 I O2 S -","- C128 H104 I8 O16 S8 -","8","1","KP2264","Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk","3-Ethylsulfinyl-5-iodo-2-phenyl-1-benzofuran","Acta Crystallographica Section E","2010","66","7","o1814","","10.1107/S1600536810024190","","","0.71073","MoKα","","0.0306","0.0276","","","0.0662","0.0677","","","","","","1.148","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226587","15.392","0.003","9.11","0.002","20.128","0.003","90","","90","","90","","2822.4","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Cl N2 O3 -","- C15 H13 Cl N2 O3 -","- C120 H104 Cl8 N16 O24 -","8","1","LH5065","Hao, Yu-Mei","<i>N</i>'-(5-Chloro-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2010","66","7","o1631","","10.1107/S160053681002180X","","","0.71073","MoKα","","0.1311","0.0561","","","0.117","0.1499","","","","","","0.99","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226610","15.101","0.003","5.8093","0.0012","24.866","0.005","90","","90","","90","","2181.4","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3,4-Difluorophenyl)phthalimide","","- C14 H7 F2 N O2 -","- C14 H7 F2 N O2 -","- C112 H56 F16 N8 O16 -","8","1","NG2786","Fu, Xian-Shu; Yu, Xiao-Ping; Wang, Wei-Min; Lin, Fang","<i>N</i>-(3,4-Difluorophenyl)phthalimide","Acta Crystallographica Section E","2010","66","7","o1809","","10.1107/S1600536810024189","","","0.71073","MoKα","","0.0427","0.0399","","","0.1123","0.1154","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226618","11.3742","0.0012","8.1364","0.0009","26.88","0.003","90","","90","","90","","2487.6","0.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,7-Bis(prop-2-yn-1-yloxy)naphthalene","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","OM2339","Xue, Wei-jian; Lu, Hui; Pang, Tao","2,7-Bis(prop-2-yn-1-yloxy)naphthalene","Acta Crystallographica Section E","2010","66","7","o1610","","10.1107/S1600536810020982","","","0.71073","MoKα","","0.1017","0.0627","","","0.1283","0.1458","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226627","19.79","0.004","7.238","0.0014","20.473","0.004","90","","90","","90","","2932.6","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-methylanilinium 3,5-dinitrobenzoate","","- C14 H13 N3 O6 -","- C14 H13 N3 O6 -","- C112 H104 N24 O48 -","8","1","PV2280","Xu, Rui-jun","4-Methylanilinium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2010","66","7","o1574","","10.1107/S1600536810018441","","","0.71073","MoKα","","0.0821","0.0537","","","0.1397","0.1587","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226633","12.296","0.005","12.915","0.004","15.47","0.005","90","","90","","90","","2456.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')chloridotrimethanolatoniobium(V)","","- C8 H16 Cl Nb O5 -","- C8 H16 Cl Nb O5 -","- C64 H128 Cl8 Nb8 O40 -","8","1","PV2289","Herbst, Leandra; Koen, Renier; Roodt, Andreas; Visser, Hendrik G.","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')chloridotrimethanolatoniobium(V)","Acta Crystallographica Section E","2010","66","7","m801","m802","10.1107/S1600536810021719","","","0.71073","MoKα","","0.0302","0.0228","","","","0.0678","","","","","","1.155","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226636","12.017","0.0004","11.2808","0.0003","25.6942","0.0008","90","","90","","90","","3483.14","0.18","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-4,6-<i>O</i>-ethylidene-<i>myo</i>- insitol 1,3,5-orthoformate","","- C15 H26 O6 Si -","- C15 H26 O6 Si -","- C120 H208 O48 Si8 -","8","1","PV2294","Xu, Zhouqin; Wang, Qiang; Sun, Yanchun","2-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-4,6-<i>O</i>-ethylidene-<i>myo</i>-insitol 1,3,5-orthoformate","Acta Crystallographica Section E","2010","66","7","o1741","","10.1107/S1600536810023214","","","0.71073","MoKα","","0.1234","0.0524","","","0.117","0.1485","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226648","11.4861","0.001","11.8659","0.0011","30.087","0.003","90","","90","","90","","4100.6","0.7","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro- 9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","","- C24 H28 O5 -","- C24 H28 O5 -","- C192 H224 O40 -","8","1","RZ2454","Hasanudin, Noorhafizah; Abdul Rahim, Aisyah Saad; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun","9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6-tetrahydro-9<i>H</i>-xanthene-1,8(2<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2010","66","7","o1538","o1539","10.1107/S1600536810020258","","","0.71073","MoKα","","0.0648","0.0447","","","0.1175","0.136","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226681","24.726","0.004","15.385","0.003","8.27","0.0015","90","","90","","90","","3146","1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-methoxybenzohydrazide","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C136 H152 N24 O16 -","8","1","SJ5024","Liu, Shi-Yong; Wang, Xiaoling","(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2010","66","7","o1775","","10.1107/S1600536810023937","","","0.71073","MoKα","","0.0583","0.0393","","","0.0941","0.1057","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226684","16.039","0.0013","5.8399","0.0005","22.5298","0.0019","90","","90","","90","","2110.3","0.3","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-2-methylbut-3-yn-2-ol","","- C12 H14 O2 -","- C12 H14 O2 -","- C96 H112 O16 -","8","1","SJ5028","Eissmann, Frank; Kafurke, Uwe; Weber, Edwin","4-(4-Methoxyphenyl)-2-methylbut-3-yn-2-ol","Acta Crystallographica Section E","2010","66","7","o1866","","10.1107/S1600536810024529","","","0.71073","MoKα","","0.0464","0.0374","","","0.1043","0.1135","","","","","","1.098","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226693","15.587","0.003","9.1281","0.0019","20.399","0.004","90","","90","","90","","2902.4","1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Br N2 O3 -","- C15 H13 Br N2 O3 -","- C120 H104 Br8 N16 O24 -","8","1","SU2186","Liu, Shi-Yong; You, Zhonglu","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2010","66","7","o1658","","10.1107/S1600536810022002","","","0.71073","MoKα","","0.1197","0.0429","","","0.0974","0.1268","","","","","","0.995","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226721","7.8015","0.0014","12.669","0.002","29.91","0.006","90","","90","","90","","2956.2","0.9","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triethylammonium 4-nitrobenzenesulfonate","","- C12 H20 N2 O5 S -","- C12 H20 N2 O5 S -","- C96 H160 N16 O40 S8 -","8","1","WN2392","Al-Dajani, Mohammad T. M.; Abdallah, Hassan H.; Mohamed, Nornisah; Quah, Ching Kheng; Fun, Hoong-Kun","Triethylammonium 4-nitrobenzenesulfonate","Acta Crystallographica Section E","2010","66","7","o1647","","10.1107/S1600536810021379","","","0.71073","MoKα","","0.0745","0.0457","","","0.114","0.1347","","","","","","1.01","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226723","7.0751","0.0012","20.843","0.004","20.983","0.004","90","","90","","90","","3094.3","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)nicotinonitrile","6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)pyridine-3-carbonitrile","","- C18 H15 N3 O S -","- C17.9983 H15 N3 O S -","- C143.986 H120 N24 O8 S8 -","8","1","WN2394","Fun, Hoong-Kun; Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Padaki, Mahesh; Isloor, Arun M.","6-(4-Aminophenyl)-2-ethoxy-4-(2-thienyl)nicotinonitrile","Acta Crystallographica Section E","2010","66","7","o1811","o1812","10.1107/S160053681002369X","","","0.71073","MoKα","","0.0681","0.0378","","","0.073","0.085","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226747","8.5878","0.0006","17.0342","0.0012","30.669","0.002","90","","90","","90","","4486.5","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-{2-Methyl-5-[(5-oxo-10,11-dihydro-5<i>H</i>- dibenzo[<i>a</i>,<i>d</i>]cyclohepten-2-yl)amino]phenyl}benzamide","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C232 H192 N16 O16 -","8","1","ZL2285","Dorn, Angelika; Schollmeyer, Dieter; Laufer, Stefan A.","<i>N</i>-{2-Methyl-5-[(5-oxo-10,11-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-2-yl)amino]phenyl}benzamide","Acta Crystallographica Section E","2010","66","7","o1867","","10.1107/S1600536810024256","","","0.71069","MoKα","","0.0752","0.0444","","","0.1025","0.1187","","","","","","0.997","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226760","16.2468","0.0005","12.8841","0.0004","17.6041","0.0005","90","","90","","90","","3684.99","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(1,3-dibenzylimidazolium) μ-oxido-bis[trichloridoferrate(III)]","","- C34 H34 Cl6 Fe2 N4 O -","- C34 H34 Cl6 Fe2 N4 O -","- C136 H136 Cl24 Fe8 N16 O4 -","4","0.5","ZS2046","Mutambi, E. M.; Adams, C. J.; Orpen, A. G.","Bis(1,3-dibenzylimidazolium) μ-oxido-bis[trichloridoferrate(III)]","Acta Crystallographica Section E","2010","66","7","m846","","10.1107/S1600536810024098","","","0.71073","MoKα","","0.0517","0.0326","","","0.0731","0.0811","","","","","","1.038","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226763","14.888","0.001","13.884","0.001","18.843","0.001","90","","90","","90","","3894.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-[(<i>E</i>)-4-methyl-1-(4-methylphenylsulfonyl)-1,2- dihydropyridin-2-ylidene]benzenesulfonamide","","- C20 H20 N2 O4 S2 -","- C20 H20 N2 O4 S2 -","- C160 H160 N16 O32 S16 -","8","1","BH2287","Tabatabaee, Masoumeh; Ghassemzadeh, Mitra; Hesami, Liela; Neumüller, Bernhard","4-Methyl-<i>N</i>-[(<i>E</i>)-4-methyl-1-(4-methylphenylsulfonyl)-1,2-dihydropyridin-2-ylidene]benzenesulfonamide","Acta Crystallographica Section E","2010","66","8","o1891","","10.1107/S1600536810025158","","","0.71073","MoKα","","0.0751","0.0444","","","0.0863","0.0942","","","","","","0.939","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226805","18.746","0.002","10.3842","0.0018","20.994","0.003","90","","90","","90","","4086.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(6-acetyl-9-octyl-9<i>H</i>-carbazol-3-yl)ethan-1-one","1,1'-(9-Octyl-9<i>H</i>-carbazole-3,6-diyl)diethanone","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C192 H232 N8 O16 -","8","1","BV2151","Saeed, Aamer; Kazmi, Madiha; Ameen Samra, Shahid; Irfan, Madiha; Bolte, Michael","1,1'-(9-Octyl-9<i>H</i>-carbazole-3,6-diyl)diethanone","Acta Crystallographica Section E","2010","66","8","o2118","","10.1107/S1600536810028928","","","0.71073","MoKα","","0.0892","0.0442","","","0.0793","0.0858","","","","","","0.845","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226823","12.5801","0.0002","11.4157","0.0002","15.756","0.0003","90","","90","","90","","2262.73","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Aminopyridinium 2-hydroxybenzoate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","CI5130","Fun, Hoong-Kun; Hemamalini, Madhukar; Rajakannan, Venkatachalam","4-Aminopyridinium 2-hydroxybenzoate","Acta Crystallographica Section E","2010","66","8","o2010","o2011","10.1107/S1600536810027042","","","0.71073","MoKα","","0.0808","0.059","","","0.1085","0.1178","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226830","9.0563","0.0011","13.8931","0.0017","24.641","0.003","90","","90","","90","","3100.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","6,14-Dibromo-2,11-dithia[3.3]paracyclophane","1^2^,5^2^-dibromo-2,7-dithia-1,5(1,4)-dibenzenaoctaphane","","- C16 H14 Br2 S2 -","- C16 H14 Br2 S2 -","- C128 H112 Br16 S16 -","8","1","CV2739","Zhu, Xingxun; Hu, Ming","6,14-Dibromo-2,11-dithia[3.3]paracyclophane","Acta Crystallographica Section E","2010","66","8","o2123","","10.1107/S1600536810028874","","","0.71073","MoKα","","0.0751","0.0409","","","0.1052","0.1148","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226858","7.6406","0.0007","12.0326","0.0011","32.797","0.003","90","","90","","90","","3015.2","0.5","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1-Methyl-3,5-bis(3-methylphenyl)benzene","","- C21 H20 -","- C21 H20 -","- C168 H160 -","8","1","FJ2321","Xia, Dong-Guo; Lei, Ke-Wei; Li, Jie; Su, Zheng-Yu","1-Methyl-3,5-bis(3-methylphenyl)benzene","Acta Crystallographica Section E","2010","66","8","o1915","","10.1107/S1600536810024980","","","0.71073","MoKα","","0.0492","0.0408","","","0.1048","0.1121","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226865","17.7096","0.0004","8.4987","0.0002","21.5013","0.0004","90","","90","","90","","3236.13","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Bromo-<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-tetraethylpyridine-2,6- dicarboxamide","","- C15 H22 Br N3 O2 -","- C15 H22 Br N3 O2 -","- C120 H176 Br8 N24 O16 -","8","1","FL2308","de Lill, Daniel T.; de Bettencourt-Dias, Ana","4-Bromo-<i>N</i>^2^,<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^6^-tetraethylpyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2010","66","8","o2124","","10.1107/S1600536810028837","","","0.71073","MoKα","","0.0642","0.0385","","","0.0832","0.1005","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226886","10.703","0.002","13.275","0.004","19.683","0.005","90","","90","","90","","2796.6","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,7,8,9-Tetrahydro-4b,9b-dihydroxyindano[1,2-<i>b</i>]indoline-9,10-dione monohydrate","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C120 H120 N8 O40 -","8","1","HB5521","Yaqub, Muhammad; Mahmood, Khalid; Tahir, M. Nawaz; Shafiq, Zahid; Rauf, Abdul","6,7,8,9-Tetrahydro-4b,9b-dihydroxyindano[1,2-<i>b</i>]indoline-9,10-dione monohydrate","Acta Crystallographica Section E","2010","66","8","o1886","","10.1107/S1600536810025328","","","0.71073","MoKα","","0.0911","0.0474","","","0.1056","0.1349","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226895","19.4021","0.0013","12.1065","0.0007","20.0554","0.0011","90","","90","","90","","4710.8","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(2-Nitrobenzylidene)-2-phenylhydrazine","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C208 H176 N48 O32 -","16","2","HB5534","Shad, Hazoor Ahmad; Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Sarfraz, Muhammad; Ahmad, Shahbaz","(<i>E</i>)-1-(2-Nitrobenzylidene)-2-phenylhydrazine","Acta Crystallographica Section E","2010","66","8","o1955","","10.1107/S1600536810025882","","","0.71073","MoKα","","0.0844","0.0446","","","0.0974","0.1166","","","","","","1.014","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226897","6.6219","0.0001","14.4347","0.0002","24.759","0.0003","90","","90","","90","","2366.59","0.06","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2,6-diaminopyridin-1-ium) hexaaquacobalt(II) disulfate dihydrate","","- C10 H32 Co N6 O16 S2 -","- C10 H32 Co N6 O16 S2 -","- C40 H128 Co4 N24 O64 S8 -","4","0.5","HB5536","Al-Dajani, Mohammad T. M.; Wahab, Habibah A.; Mohamed, Nornisah; Goh, Jia Hao; Fun, Hoong-Kun","Bis(2,6-diaminopyridin-1-ium) hexaaquacobalt(II) disulfate dihydrate","Acta Crystallographica Section E","2010","66","8","m917","m918","10.1107/S1600536810026693","","","0.71073","MoKα","","0.026","0.0224","","","0.0618","0.0635","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226913","17.655","0.003","7.6304","0.0015","19.02","0.004","90","","90","","90","","2562.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3,4-Dimethylbenzylidene)furan-2-carbohydrazide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","HB5553","Li, Yu-Feng; Jian, Fang-Fang","<i>N</i>'-(3,4-Dimethylbenzylidene)furan-2-carbohydrazide","Acta Crystallographica Section E","2010","66","8","o2061","","10.1107/S1600536810027959","","","0.71073","MoKα","","0.1358","0.0658","","","0.1434","0.1773","","","","","","0.898","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226923","9.426","0.002","15.568","0.004","22.601","0.006","90","","90","","90","","3316.6","1.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","C~15~H~7~Cl~2~F~6~N~O~2","<i>N</i>-[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,6- difluorobenzamide","","- C15 H7 Cl2 F6 N O2 -","- C15 H7 Cl2 F6 N O2 -","- C120 H56 Cl16 F48 N8 O16 -","8","1","HB5568","Liang, Ying; Wei, San; Yang, Zi-Wen","<i>N</i>-[3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2,6-difluorobenzamide","Acta Crystallographica Section E","2010","66","8","o2156","","10.1107/S1600536810029612","","","0.71073","MoKα","","0.1084","0.0839","","","0.2311","0.2534","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226936","8.8398","0.0009","18.6996","0.0019","22.349","0.002","90","","90","","90","","3694.3","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) sulfate dihydrate","","- C12 H20 Cd N2 O10 S -","- C12 H20 Cd N2 O10 S -","- C96 H160 Cd8 N16 O80 S8 -","8","1","HY2328","Zhang, Yuan-Yuan; Jin, Qiong-Hua; Yang, Wei; Zhang, Cun-Lin","Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II) sulfate dihydrate","Acta Crystallographica Section E","2010","66","8","m970","","10.1107/S1600536810028175","","","0.71073","MoKα","","0.0408","0.0329","","","0.0628","0.0653","","","","","","1.163","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226939","12.9059","0.001","14.8605","0.0011","14.9432","0.0011","90","","90","","90","","2865.9","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2,2'-Dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","","- C8 H8 Hg I2 N2 S2 -","- C8 H8 Hg I2 N2 S2 -","- C64 H64 Hg8 I16 N16 S16 -","8","1","HY2334","Abedi, Anita; Yahyazade Bali, Effat","(2,2'-Dimethyl-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II)","Acta Crystallographica Section E","2010","66","8","m1023","","10.1107/S1600536810029302","","","0.71073","MoKα","","0.0322","0.0247","","","0.0544","0.0575","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226946","11.422","0.002","7.089","0.0014","22.887","0.005","90","","90","","90","","1853.2","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Ethoxyanilinium chloride","","- C8 H12 Cl N O -","- C8 H12 Cl N O -","- C64 H96 Cl8 N8 O8 -","8","1","IM2216","Fu, Xue-qun","4-Ethoxyanilinium chloride","Acta Crystallographica Section E","2010","66","8","o1944","","10.1107/S1600536810025973","","","0.71073","MoKα","","0.0606","0.0451","","","0.0995","0.106","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226972","12.199","0.002","10.51","0.002","32.484","0.007","90","","90","","90","","4164.8","1.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1, 8(5<i>H</i>,9<i>H</i>)-dione","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C184 H200 N8 O40 -","8","1","JH2186","Mo, Yingming; Zang, Hong-Jun; Cheng, Bo-Wen","3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","Acta Crystallographica Section E","2010","66","8","o2129","","10.1107/S1600536810029211","","","0.71073","MoKα","","0.0737","0.0632","","","0.1385","0.1444","","","","","","1.158","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226989","19.4984","0.0019","5.2601","0.0006","29.851","0.003","90","","90","","90","","3061.6","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-(8-quinolyloxy)acetamide monohydrate","","- C17 H15 Cl N2 O3 -","- C17 H15 Cl N2 O3 -","- C136 H120 Cl8 N16 O24 -","8","1","LH5076","Wang, Yuan; Li, Yan-Wei; Li, Xiao-Xia","<i>N</i>-(4-Chlorophenyl)-2-(8-quinolyloxy)acetamide monohydrate","Acta Crystallographica Section E","2010","66","8","o1977","","10.1107/S1600536810026206","","","0.71073","MoKα","","0.1226","0.0471","","","0.1034","0.1284","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226998","8.7973","0.0001","27.2813","0.0003","32.0903","0.0006","90","","90","","90","","7701.73","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[2,3,7,8,13,14,17,18-Octakis(ethylsulfanyl)-5,10,15,20-porphyrazinato]zinc(II)","","- C32 H40 N8 S8 Zn -","- C32 H40 N8 S8 Zn -","- C256 H320 N64 S64 Zn8 -","8","1","LH5086","Akkurt, Mehmet; Coşkun, Naciye Yılmaz; Kılıçaslan, Fatma Aytan; Yalçın, Sabiha Manav; Büyükgüngör, Orhan; Gül, Ahmet","[2,3,7,8,13,14,17,18-Octakis(ethylsulfanyl)-5,10,15,20-porphyrazinato]zinc(II)","Acta Crystallographica Section E","2010","66","8","m998","m999","10.1107/S1600536810028588","","","0.71073","MoKα","","0.0609","0.0401","","","0.0897","0.0969","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227044","9.79","0.002","10.204","0.002","11.057","0.002","90","","90","","90","","1104.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyanomethanaminium tetrafluoroborate","","- C2 H5 B F4 N2 -","- C2 H5 B F4 N2 -","- C16 H40 B8 F32 N16 -","8","1","PV2302","Han, Meng Ting; Zhang, Yuan","Cyanomethanaminium tetrafluoroborate","Acta Crystallographica Section E","2010","66","8","o1941","","10.1107/S1600536810025857","","","0.71073","MoKα","","0.0368","0.0343","","","0.0943","0.0972","","","","","","0.741","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227063","9.573","0.0019","13.188","0.003","22.205","0.004","90","","90","","90","","2803.4","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(5-Bromo-2-methylphenyl)(4-ethoxyphenyl)methanone","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C128 H120 Br8 O16 -","8","1","RZ2475","Shi, Yong-Heng; Zhao, Gui-Long; Shao, Hua; Liu, Wei; Xu, Wei-Ren","(5-Bromo-2-methylphenyl)(4-ethoxyphenyl)methanone","Acta Crystallographica Section E","2010","66","8","o2038","","10.1107/S1600536810027327","","","0.71073","MoKα","","0.0481","0.0407","","","0.1018","0.1067","","","","","","1.096","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227076","11.7933","0.0003","10.3648","0.0002","17.8667","0.0004","90","","90","","90","","2183.94","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(6-{2-[6-(2,2-Dimethylpropanamido)-2-pyridyl]ethyl}-2-pyridyl)-2,2- dimethylpropanamide","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C88 H120 N16 O8 -","4","0.5","SJ5021","Fun, Hoong-Kun; Loh, Wan-Sin; Das, Nirmal Kumar; Sen, Debabrata; Goswami, Shyamaprosad","<i>N</i>-(6-{2-[6-(2,2-Dimethylpropanamido)-2-pyridyl]ethyl}-2-pyridyl)-2,2-dimethylpropanamide","Acta Crystallographica Section E","2010","66","8","o1960","o1961","10.1107/S1600536810023068","","","0.71073","MoKα","","0.1334","0.0622","","","0.1312","0.1608","","","","","","1.034","","","","has coordinates,has disorder","176789","2020-10-21","18:00:00",""
"2227077","14.9105","0.0005","21.3468","0.0007","28.7377","0.0009","90","","90","","90","","9147","0.5","100","0.1","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-μ- bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>'-[tris(2- chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)","","- C40 H34 As2 Cl3 O12 P Ru3 -","- C40 H34 As2 Cl3 O12 P Ru3 -","- C320 H272 As16 Cl24 O96 P8 Ru24 -","8","1","SJ5029","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun","Nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-μ-bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>'-[tris(2-chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)","Acta Crystallographica Section E","2010","66","8","m929","m930","10.1107/S1600536810026267","","","0.71073","MoKα","","0.0975","0.0802","","","0.1736","0.1837","","","","","","1.276","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227165","12.8631","0.0005","20.1109","0.0009","23.093","0.0009","90","","90","","90","","5973.9","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-<i>n</i>-butylammonium 2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]benzoate","","- C30 H47 N O3 S -","- C30 H47 N O3 S -","- C240 H376 N8 O24 S8 -","8","1","BH2302","Alhadi, Abeer A.; Khaledi, Hamid; Mohd Ali, Hapipah; Olmstead, Marilyn M.","Di-<i>n</i>-butylammonium 2-[(3,5-di-<i>tert</i>-butyl-4-hydroxybenzyl)sulfanyl]benzoate","Acta Crystallographica Section E","2010","66","9","o2454","","10.1107/S1600536810033921","","","0.71073","MoKα","","0.0916","0.0498","","","0.1148","0.1375","","","","","","1.012","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227196","13.9978","0.0002","7.0557","0.0001","27.3758","0.0004","90","","90","","90","","2703.75","0.07","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Bromo-<i>N</i>-(2,3-dimethoxybenzylidene)aniline","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C120 H112 Br8 N8 O16 -","8","1","BT5308","Fejfarová, Karla; Makrlík, Emanuel; Khalaji, Aliakbar Dehno","(<i>E</i>)-4-Bromo-<i>N</i>-(2,3-dimethoxybenzylidene)aniline","Acta Crystallographica Section E","2010","66","9","o2217","","10.1107/S1600536810029880","","","1.54184","CuKα","","0.0323","0.0301","","","0.1206","0.1226","","","","","","1.82","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227277","11.3872","0.0007","9.5037","0.0005","21.512","0.002","90","","90","","90","","2328","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Chlorbromuron","1-(4-Bromo-3-chlorophenyl)-3-methoxy-3-methylurea","","- C9 H10 Br Cl N2 O2 -","- C9 H10 Br Cl N2 O2 -","- C72 H80 Br8 Cl8 N16 O16 -","8","1","BV2148","Black, Harrison M.; Baughman, Russell G.","1-(4-Bromo-3-chlorophenyl)-3-methoxy-3-methylurea (chlorbromuron)","Acta Crystallographica Section E","2010","66","9","o2221","","10.1107/S1600536810030606","","","0.71073","MoKα","","0.1113","0.0647","","","0.1471","0.1727","","","","","","0.988","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227358","15.165","0.003","8.0452","0.0015","19.349","0.004","90","","90","","90","","2360.7","0.8","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[3-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,2,4,5-tetrazin-1-yl]ethanone","","- C11 H11 Cl N4 O -","- C11 H11 Cl N4 O -","- C88 H88 Cl8 N32 O8 -","8","1","CV2768","Xu, Feng; Yang, Zhenzhen; Jiang, Junrong; Shi, Lei","1-[3-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,2,4,5-tetrazin-1-yl]ethanone","Acta Crystallographica Section E","2010","66","10","o2651","","10.1107/S1600536810037839","","","0.71073","MoKα","","0.0523","0.0488","","","0.1478","0.1515","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227443","12.127","0.0013","10.6829","0.0011","17.6066","0.0015","90","","90","","90","","2281","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethylammonium 4-hydroxybenzoate","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C88 H136 N8 O24 -","8","1","FL2305","Lu, Yong-Hong","Diethylammonium 4-hydroxybenzoate","Acta Crystallographica Section E","2010","66","11","o2920","","10.1107/S1600536810040523","","","0.71073","MoKα","","0.0936","0.0425","","","0.0981","0.1301","","","","","","1.064","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2227447","8.2804","0.0005","14.593","0.0009","17.9924","0.0011","90","","90","","90","","2174.1","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Ethyl-6-ethylamino-4-oxo-1,3,5-triazin-2-aminium chloride","","- C7 H14 Cl N5 O -","- C7 H14 Cl N5 O -","- C56 H112 Cl8 N40 O8 -","8","1","FL2312","Brown, J. Emery; Baughman, Russell G.","<i>N</i>-Ethyl-6-ethylamino-4-oxo-1,3,5-triazin-2-aminium chloride (Oxysimazine·HCl)","Acta Crystallographica Section E","2010","66","10","o2481","","10.1107/S1600536810033775","","","0.71073","MoKα","","0.0697","0.0374","","","0.082","0.0944","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227452","10.7589","0.0002","9.5652","0.0002","24.5586","0.0004","90","","90","","90","","2527.35","0.08","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-<i>N</i>-(3-methoxypyrazin-2-yl)benzenesulfonamide","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","1","FL2318","Bruni, Bruno; Coran, Silvia A.; Bartolucci, Gianluca; Di Vaira, Massimo","4-Amino-<i>N</i>-(3-methoxypyrazin-2-yl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","10","o2663","","10.1107/S1600536810038158","","","1.5418","CuKα","","0.0371","0.0318","","","0.0888","0.1025","","","","","","1.14","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227510","7.4737","0.001","12.8128","0.0017","24.529","0.003","90","","90","","90","","2348.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methoxyphenoxy)-3-nitropyridine","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","1","HB5614","Nasir, Shah Bakhtiar; Abdullah, Zanariah; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methoxyphenoxy)-3-nitropyridine","Acta Crystallographica Section E","2010","66","9","o2428","","10.1107/S1600536810034057","","","0.71073","MoKα","","0.073","0.04","","","0.1","0.123","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227550","13.397","0.003","9.1271","0.0018","18.799","0.004","90","","90","","90","","2298.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Methoxybenzylidene)-4-methylthiosemicarbazide","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","HB5659","Li, Yu-Feng","1-(4-Methoxybenzylidene)-4-methylthiosemicarbazide","Acta Crystallographica Section E","2010","66","11","o2728","","10.1107/S1600536810038882","","","0.71073","MoKα","","0.0664","0.0397","","","0.1191","0.1461","","","","","","0.935","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227557","7.1107","0.0003","13.9635","0.0005","21.2867","0.0009","90","","90","","90","","2113.56","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Pyridin-2-yl)coumarin","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","1","HB5667","Da, Yu-Xia; Quan, Zheng-Jun","3-(Pyridin-2-yl)coumarin","Acta Crystallographica Section E","2010","66","11","o2872","","10.1107/S1600536810039796","","","1.54184","CuKα","","0.0961","0.0722","","","0.1905","0.2304","","","","","","1.09","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227574","7.6832","0.0003","11.0225","0.0003","27.1427","0.0011","90","","90","","90","","2298.66","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-hydroxybenzamide","","- C13 H10 Cl N O2 -","- C13 H10 Cl N O2 -","- C104 H80 Cl8 N8 O16 -","8","1","HB5690","Raza, Abdul Rauf; Nisar, Bushra; Tahir, M. Nawaz; Shamshad, Sumaira","<i>N</i>-(4-Chlorophenyl)-2-hydroxybenzamide","Acta Crystallographica Section E","2010","66","11","o2922","","10.1107/S1600536810042030","","","0.71073","MoKα","","0.0553","0.0366","","","0.088","0.0996","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227598","15.203","0.006","14.006","0.005","18.015","0.007","90","","90","","90","","3836","3","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒benzoic acid (1/1)","","- C19 H20 N4 O4 S -","- C19 H20 N4 O4 S -","- C152 H160 N32 O32 S8 -","8","1","HG2707","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒benzoic acid (1/1)","Acta Crystallographica Section E","2010","66","9","o2430","","10.1107/S1600536810034094","","","0.71069","MoKα","","0.069","0.065","","","0.156","0.159","","","","","","1.17","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227661","7.3543","0.0003","6.2617","0.0003","31.3872","0.0013","90","","90","","90","","1445.39","0.11","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,3<i>E</i>)-1,4-Bis(4-methoxyphenyl)buta-1,3-diene","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","0.5","IS2575","Narayan, Gopinathan; Rath, Nigam P.; Das, Suresh","(1<i>E</i>,3<i>E</i>)-1,4-Bis(4-methoxyphenyl)buta-1,3-diene","Acta Crystallographica Section E","2010","66","10","o2678","","10.1107/S1600536810037141","","","0.71073","MoKα","","0.0611","0.0449","","","0.1023","0.1097","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227690","6.58278","0.00012","16.1134","0.0003","30.275","0.0006","90","","90","","90","","3211.3","0.11","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Bromophenyl)(2,7-dimethoxy-1-naphthyl)methanone","","- C19 H15 Br O3 -","- C19 H15 Br O3 -","- C152 H120 Br8 O24 -","8","1","IS2618","Kato, Yuichi; Nagasawa, Atsushi; Tsumuki, Takehiro; Okamoto, Akiko; Yonezawa, Noriyuki","(4-Bromophenyl)(2,7-dimethoxy-1-naphthyl)methanone","Acta Crystallographica Section E","2010","66","11","o2939","","10.1107/S1600536810042662","","","1.54187","CuKα","","0.0348","0.033","","","0.0805","0.0815","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227706","9.675","0.002","13.137","0.003","23.128","0.005","90","","90","","90","","2939.6","1.1","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 6-acetamido-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-4-carboxylate","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C120 H160 N16 O32 -","8","1","JH2200","Gu, Xiao-Bo","<i>tert</i>-Butyl 6-acetamido-3,4-dihydro-2<i>H</i>-1,4-benzoxazine-4-carboxylate","Acta Crystallographica Section E","2010","66","10","o2600","","10.1107/S1600536810036937","","","0.71073","MoKα","","0.0568","0.0482","","","0.1086","0.1143","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227731","13.098","0.0003","7.179","0.0001","16.329","0.0003","90","","90","","90","","1535.42","0.05","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2,5-Dichloro-3-thienyl)ethanone","","- C6 H4 Cl2 O S -","- C6 H4 Cl2 O S -","- C48 H32 Cl16 O8 S8 -","8","1","JJ2050","Harrison, William T. A.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N.; Narayana, B.","1-(2,5-Dichloro-3-thienyl)ethanone: infinite sheets mediated by O···Cl halogen bonds","Acta Crystallographica Section E","2010","66","10","o2480","","10.1107/S1600536810035154","","","0.71073","MoKα","","0.0373","0.0312","","","0.0748","0.0781","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227760","12.0007","0.0003","9.6314","0.0002","29.4627","0.0008","90","","90","","90","","3405.4","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Isopropyl-6-methyl-2-phenylquinoline-3-carboxamide","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","LH5101","Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","<i>N</i>-Isopropyl-6-methyl-2-phenylquinoline-3-carboxamide","Acta Crystallographica Section E","2010","66","9","o2304","o2305","10.1107/S1600536810031582","","","0.71073","MoKα","","0.0705","0.0496","","","0.1406","0.1569","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227786","10.866","0.002","7.9654","0.0016","30.62","0.006","90","","90","","90","","2650.2","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C112 H120 N24 O16 -","8","1","LH5131","Li, Yu-Feng; Meng, Fan-Yong","<i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide","Acta Crystallographica Section E","2010","66","10","o2696","","10.1107/S1600536810037244","","","0.71073","MoKα","","0.1364","0.0506","","","0.11","0.1426","","","","","","0.746","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227809","10.4","0.001","12.165","0.0015","15.37","0.002","90","","90","","90","","1944.6","0.4","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]- 4'(3'<i>H</i>)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","LX2156","Shi, Daxin; Yang, Liupan; Tang, Jianhong; Wang, Xiuzhen; Li, Jiarong","Spiro[cyclopentane-1,2'(1'<i>H</i>)-pyrido[2,3-<i>d</i>]pyrimidin]-4'(3'<i>H</i>)-one","Acta Crystallographica Section E","2010","66","9","o2301","","10.1107/S1600536810027479","","","0.71075","MoKα","","0.0427","0.0395","","","0.0999","0.1026","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227830","14.888","0.0001","17.398","0.0001","24.922","0.0002","90","","90","","90","","6455.33","0.08","90","0.2","90","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dichloridobis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II)","","- C12 H20 Cl2 Co N4 -","- C12 H20 Cl2 Co N4 -","- C192 H320 Cl32 Co16 N64 -","16","2","NG5017","Lyubartseva, Ganna; Parkin, Sean","Dichloridobis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)cobalt(II)","Acta Crystallographica Section E","2010","66","9","m1134","","10.1107/S160053681003254X","","","0.71073","MoKα","","0.0616","0.0433","","","0.1017","0.1108","","","","","","1.146","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227862","10.0597","0.0009","15.0623","0.0012","20.306","0.002","90","","90","","90","","3076.8","0.5","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Acridinium 3-carboxypyrazine-2-carboxylate","","- C19 H13 N3 O4 -","- C19 H13 N3 O4 -","- C152 H104 N24 O32 -","8","1","OM2349","Attar Gharamaleki, Jafar; Derikvand, Zohreh; Stoeckli-Evans, Helen","Acridinium 3-carboxypyrazine-2-carboxylate","Acta Crystallographica Section E","2010","66","9","o2231","","10.1107/S1600536810030588","","","0.71073","MoKα","","0.0667","0.0355","","","0.0738","0.0799","","","","","","0.876","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227885","12.3272","0.0002","11.34425","0.00019","20.5729","0.0004","90","","90","","90","","2876.97","0.09","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-({3-[(3-Aminopropyl)amino]propyl}iminomethyl)phenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>'',<i>N</i>''']bromidocopper(II)","","- C13 H20 Br Cu N3 O -","- C13 H20 Br Cu N3 O -","- C104 H160 Br8 Cu8 N24 O8 -","8","1","PB2044","Assey, Gervas E.; Butcher, Anand M.; Butcher, Ray J.; Gultneh, Yilma","[2-({3-[(3-Aminopropyl)amino]propyl}iminomethyl)phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>'',<i>N</i>''']bromidocopper(II)","Acta Crystallographica Section E","2010","66","11","m1475","","10.1107/S1600536810042923","","","1.54184","CuKα","","0.04","0.0387","","","0.0949","0.0956","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227890","17.3634","0.0015","9.2438","0.0008","22.882","0.002","90","","90","","90","","3672.6","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(9-Anthrylmethylidene)-<i>p</i>-toluenesulfonohydrazide","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C176 H144 N16 O16 S8 -","8","1","PK2262","Asiri, Abdullah M.; Zayed, Mohie E. M.; Ng, Seik Weng","(<i>E</i>)-<i>N</i>'-(9-Anthrylmethylidene)-<i>p</i>-toluenesulfonohydrazide","Acta Crystallographica Section E","2010","66","9","o2361","","10.1107/S160053681003271X","","","0.71073","MoKα","","0.0615","0.0395","","","0.0915","0.104","","","","","","1.023","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227913","14.7512","0.0016","13.1406","0.0015","16.6188","0.0019","90","","90","","90","","3221.4","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II)","","- C13 H19 Cd Cl2 N3 O -","- C13 H19 Cd Cl2 N3 O -","- C104 H152 Cd8 Cl16 N24 O8 -","8","1","PV2318","Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah","Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II)","Acta Crystallographica Section E","2010","66","9","m1131","","10.1107/S1600536810032563","","","0.71073","MoKα","","0.0196","0.0169","","","0.0428","0.0445","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227964","11.513","0.002","7.898","0.002","30.359","0.003","90","","90","","90","","2760.5","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-<i>N</i>'-(3-pyridylmethylidene)benzohydrazide","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C120 H128 N32 O8 -","8","1","RZ2491","Ding, Yan-Wei; Ni, Li-Li","4-Dimethylamino-<i>N</i>'-(3-pyridylmethylidene)benzohydrazide","Acta Crystallographica Section E","2010","66","10","o2636","","10.1107/S1600536810037670","","","0.71073","MoKα","","0.1594","0.0584","","","0.1243","0.1508","","","","","","0.791","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227972","13.3835","0.0005","13.0127","0.0004","18.6943","0.0007","90","","90","","90","","3255.7","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[[μ~3~-<i>N</i>'-(carboxymethyl)ethylenediamine- <i>N</i>,<i>N</i>,<i>N</i>'-triacetato]dysprosium(III)] trihydrate]","","- C10 H19 Dy N2 O11 -","- C10 H19 Dy N2 O11 -","- C80 H152 Dy8 N16 O88 -","8","1","RZ2501","Zhuang, Xiaomei; Long, Qingping; Wang, Jun","Poly[[[μ~3~-<i>N</i>'-(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato]dysprosium(III)] trihydrate]","Acta Crystallographica Section E","2010","66","11","m1436","","10.1107/S1600536810041784","","","0.71073","MoKα","","0.0405","0.024","","","0.0561","0.0608","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228002","12.7395","0.0009","11.4906","0.0006","18.6968","0.001","90","","90","","90","","2736.9","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methoxyphenyl)-4-methylbenzenesulfonamide","","- C14 H15 N O3 S -","- C14 H15 N O3 S -","- C112 H120 N8 O24 S8 -","8","1","SJ5047","Khan, Islam Ullah; Sheikh, Tahir Ali; Arshad, Muhammad Nadeem","<i>N</i>-(2-Methoxyphenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","11","o2976","","10.1107/S1600536810042984","","","0.71073","MoKα","","0.1709","0.0503","","","0.1016","0.1434","","","","","","0.911","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228033","14.0955","0.0014","6.1295","0.0006","36.119","0.004","90","","90","","90","","3120.6","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(3-Bromophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C160 H120 Br8 O16 -","8","1","TK2699","Harrison, William T. A.; Mayekar, A. N.; Yathirajan, H. S.; Narayana, B.","(2<i>E</i>)-1-(3-Bromophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","10","o2552","","10.1107/S1600536810035117","","","0.71073","MoKα","","0.1958","0.0822","","","0.1257","0.1632","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228098","7.9221","0.0008","12.0951","0.0012","20.2989","0.0018","90","","90","","90","","1945","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridine-2,4-dicarboxylato)- κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^- bis[triaquamagnesium(II)]","","- C14 H18 Mg2 N2 O14 -","- C14 H18 Mg2 N2 O14 -","- C56 H72 Mg8 N8 O56 -","4","0.5","XU5007","Zhang, Qing-Fu; Han, Dan-Dan; Pang, Jian-Dong; Meng, Ning-Ning","Bis(μ-pyridine-2,4-dicarboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^2^-bis[triaquamagnesium(II)]","Acta Crystallographica Section E","2010","66","9","m1067","","10.1107/S1600536810030722","","","0.71073","MoKα","","0.0606","0.0404","","","0.0877","0.0999","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228134","17.8734","0.0005","10.4297","0.0002","18.9578","0.0004","90","","90","","90","","3534","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Allyl-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl- 1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H17 N3 O S -","- C20 H17 N3 O S -","- C160 H136 N24 O8 S8 -","8","1","XU5047","Chakib, Imane; Zerzouf, Abdelfettah; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","1-Allyl-4-(1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2010","66","11","o2842","","10.1107/S1600536810040316","","","0.71073","MoKα","","0.0849","0.05","","","0.143","0.1719","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228151","6.8473","0.0009","12.1307","0.0015","19.43","0.003","90","","90","","90","","1613.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-Dichloropyridine-3,5-dicarbonitrile","","- C7 H Cl2 N3 -","- C7 H Cl2 N3 -","- C56 H8 Cl16 N24 -","8","1","YA2129","Woiczechowski-Pop, Adrian; Varga, Richard A.; Terec, Anamaria; Grosu, Ion","2,6-Dichloropyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2010","66","10","o2638","","10.1107/S160053681003758X","","","0.71073","MoKα","","0.073","0.067","","","0.13","0.133","","","","","","1.29","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228167","15.269","0.004","7.167","0.002","17.136","0.005","90","","90","","90","","1875.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3-(o-formylphenoxy) propanoic acid","3-(2-formylphenoxy)propanoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","ZL2308","Collas, Alain; Vande Velde, Christophe M. L.; Blockhuys, Frank","3-(2-Formylphenoxy)propanoic acid","Acta Crystallographica Section E","2010","66","10","o2662","","10.1107/S1600536810038079","","","0.71073","MoKα","","0.1263","0.0467","","","0.0947","0.1185","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228202","12.29","0.003","7.1302","0.0014","20.304","0.004","90","","90","","90","","1779.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxyanilinium iodide","","- C7 H10 I N O -","- C7 H10 I N O -","- C56 H80 I8 N8 O8 -","8","1","BG2356","Xu, Rui-jun","4-Methoxyanilinium iodide","Acta Crystallographica Section E","2010","66","12","o3316","","10.1107/S1600536810047549","","","0.71073","MoKα","","0.037","0.0315","","","0.0636","0.0653","","","","","","1.247","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228213","7.513","0.0015","19.127","0.004","21.366","0.004","90","","90","","90","","3070.3","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Dibenzylpiperazine","","- C18 H22 N2 -","- C18 H22 N2 -","- C144 H176 N16 -","8","1","BH2322","Zhang, Meng; Zhou, Yong-hong; Hu, Li-hong; Yang, Xiao-hui","1,4-Dibenzylpiperazine","Acta Crystallographica Section E","2010","66","12","o3336","","10.1107/S1600536810049111","","","0.71073","MoKα","","0.1009","0.0517","","","0.1187","0.1406","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228238","12.578","0.002","7.546","0.0008","30.194","0.003","90","","90","","90","","2865.8","0.6","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","<i>N</i>-(4-chloropyridin-2-yl)-<i>N</i>-tosylacetamide","<i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide","","- C14 H13 Cl N2 O3 S -","- C14 H13 Cl N2 O3 S -","- C112 H104 Cl8 N16 O24 S8 -","8","1","BT5410","Bühler, Stefanie; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan","<i>N</i>-(4-Chloropyridin-2-yl)-<i>N</i>-(4-methylphenylsulfonyl)acetamide","Acta Crystallographica Section E","2010","66","12","o3320","","10.1107/S1600536810048324","","","1.54178","CuKα","","0.0558","0.0485","","","0.1248","0.1294","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228257","11.98","0.002","10.965","0.002","30.3","0.03","90","","90","","90","","3980","4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(3-Methylpiperidin-1-yl)(3-nitrophenyl)methyl]naphthalen-2-ol","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C184 H192 N16 O24 -","8","1","BX2327","Chen, Jin Mei; Zhao, Hong","1-[(3-Methylpiperidin-1-yl)(3-nitrophenyl)methyl]naphthalen-2-ol","Acta Crystallographica Section E","2010","66","12","o3118","","10.1107/S1600536810045149","","","0.71073","MoKα","","0.1386","0.0832","","","0.153","0.1737","","","","","","1.122","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228262","13.181","0.005","8.494","0.003","22.692","0.008","90","","90","","90","","2540.6","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(5,6-Dibromo-7-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol","","- C13 H9 Br2 N3 O -","- C13 H9 Br2 N3 O -","- C104 H72 Br16 N24 O8 -","8","1","CV2784","Wang, Haixia","2-(5,6-Dibromo-7-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol","Acta Crystallographica Section E","2010","66","12","o3132","","10.1107/S1600536810045277","","","0.71073","MoKα","","0.0624","0.0428","","","0.1242","0.1383","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228289","8.258","0.001","10.074","0.001","29.201","0.003","90","","90","","90","","2429.3","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[2-(1<i>H</i>-Benzimidazol-2-ylsulfanyl)ethyl]-1,3-oxazolidin-2-one","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C96 H104 N24 O16 S8 -","8","1","DN2620","Moussaif, Ahmed; Essassi, El Mokhtar; Lazar, Said; Zouihri, Hafid; Leger, Jean Michel","3-[2-(1<i>H</i>-Benzimidazol-2-ylsulfanyl)ethyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2010","66","12","o3137","","10.1107/S1600536810045897","","","1.5418","CuKα","","0.0687","0.0479","","","0.1187","0.1381","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228302","15.7951","0.0017","7.4122","0.0008","19.007","0.002","90","","90","","90","","2225.3","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethyl(2-oxo-2-phenylethyl)sulfanium bromide","","- C10 H13 Br O S -","- C10 H13 Br O S -","- C80 H104 Br8 O8 S8 -","8","1","FB2228","Cao, Zhiling; Liu, Weiwei; Yin, Fujun","Dimethyl(2-oxo-2-phenylethyl)sulfanium bromide","Acta Crystallographica Section E","2010","66","12","o3197","","10.1107/S1600536810046404","","","0.71073","MoKα","","0.0391","0.027","","","0.0642","0.0698","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228304","19.7113","0.0006","15.9564","0.0005","20.3318","0.0006","90","","90","","90","","6394.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triphenylphosphine)iminium bromide acetonitrile monosolvate","","- C38 H33 Br N2 P2 -","- C38 H33 Br N2 P2 -","- C304 H264 Br8 N16 P16 -","8","1","FI2100","Knapp, Carsten; Uzun, Rabiya","Bis(triphenylphosphine)iminium bromide acetonitrile monosolvate","Acta Crystallographica Section E","2010","66","12","o3186","","10.1107/S1600536810046337","","","0.71073","MoKα","","0.0512","0.0344","","","0.0785","0.0849","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228320","14.6869","0.0001","20.6499","0.0002","21.0082","0.0002","90","","90","","90","","6371.43","0.1","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-Oxido-bis{[2,2-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)acetato-\ κ^3^<i>N</i>^2^,<i>O</i>,<i>N</i>^2'^]chloridooxidomolybdenum(V)} monohydrate","","- C24 H32 Cl2 Mo2 N8 O8 -","- C24 H32 Cl2 Mo2 N8 O8 -","- C192 H256 Cl16 Mo16 N64 O64 -","8","1","GK2307","Golobič, Amalija; Čeh, Boris","μ-Oxido-bis{[2,2-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)acetato-κ^3^<i>N</i>^2^,<i>O</i>,<i>N</i>^2'^]chloridooxidomolybdenum(V)} monohydrate","Acta Crystallographica Section E","2010","66","12","m1648","m1649","10.1107/S1600536810045393","","","0.71073","MoKα","","0.067","0.038","","0.039","","0.028","","","1.416","","","1.16","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2228325","13.189","0.005","16.363","0.006","18.039","0.005","90","","90","","90","","3893","2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Phenylsulfonyl-2,3-dihydro-7<i>H</i>- 1,4-benzodioxino[6,7-<i>b</i>]carbazole","","- C24 H17 N O4 S -","- C24 H17 N O4 S -","- C192 H136 N8 O32 S8 -","8","1","GK2320","Kanchanadevi, J.; Dhayalan, V.; Mohanakrishnan, A. K.; Anbalagan, G.; Chakkaravarthi, G.; Manivannan, V.","7-Phenylsulfonyl-2,3-dihydro-7<i>H</i>-1,4-benzodioxino[6,7-<i>b</i>]carbazole","Acta Crystallographica Section E","2010","66","12","o3264","o3265","10.1107/S1600536810047343","","","0.71073","MoKα","","0.062","0.0406","","","0.1101","0.124","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228373","11.309","0.002","7.6693","0.0015","24.684","0.005","90","","90","","90","","2140.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 3-benzylidenecarbazate","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","HB5754","Jiang, Jin-He","Ethyl 3-benzylidenecarbazate","Acta Crystallographica Section E","2010","66","12","o3337","","10.1107/S1600536810048865","","","0.71073","MoKα","","0.1441","0.067","","","0.1587","0.2057","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228396","15.028","0.002","11.7488","0.0017","22.765","0.003","90","","90","","90","","4019.4","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[1,9-Dicarbonyl-2,8-dioxo-5-(4-methyl)phenyl-N[9]ester]ferrocenophane","6-(4-Methylphenyl)-2,10-dioxo-3,9-dioxa-6-aza-1(1,1')-ferrocenacyclodecaphane","","- C23 H23 Fe N O4 -","- C23 H23 Fe N O4 -","- C184 H184 Fe8 N8 O32 -","8","1","HY2361","Leng, Xin; Yang, Bingqin; Cui, Lin; Liu, Bo","6-(4-Methylphenyl)-2,10-dioxo-3,9-dioxa-6-aza-1(1,1')-ferrocenacyclodecaphane","Acta Crystallographica Section E","2010","66","12","m1528","","10.1107/S1600536810043278","","","0.71073","MoKα","","0.0704","0.0426","","","0.1103","0.1281","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228398","12.548","0.005","19.558","0.008","23.07","0.01","90","","90","","90","","5662","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol- 2-yl)nicotinato]cobalt(II)","","- C26 H32 Co N6 O8 -","- C26 H32 Co N6 O8 -","- C208 H256 Co8 N48 O64 -","8","1","HY2369","Zhang, Zhong; Liu, Ji-Zhong; Gao, Peng; Huang, Zhong-Jing","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)nicotinato]cobalt(II)","Acta Crystallographica Section E","2010","66","12","m1544","m1545","10.1107/S1600536810044715","","","0.71073","MoKα","","0.1109","0.0525","","","0.1234","0.1418","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228406","12.62","0.003","19.753","0.004","23.017","0.005","90","","90","","90","","5738","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>- imidazol-2-yl-κ<i>N</i>^3^)nicotinato-κ<i>N</i>]manganese(II)","","- C26 H32 Mn N6 O8 -","- C26 H32 Mn N6 O8 -","- C208 H256 Mn8 N48 O64 -","8","1","HY2382","Gao, Peng; Liu, Ji-Zhong; Zhang, Zhong; Huang, Zhong-Jing","Diaquabis[2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)nicotinato-κ<i>N</i>]manganese(II)","Acta Crystallographica Section E","2010","66","12","m1668","","10.1107/S1600536810048506","","","0.71073","MoKα","","0.1003","0.0567","","","0.1353","0.1786","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228420","5.7599","0.0003","17.1233","0.0008","30.1983","0.0013","90","","90","","90","","2978.4","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,3-Dibromo-1,3-bis(4-chlorophenyl)propan-1-one","","- C15 H10 Br2 Cl2 O -","- C15 H10 Br2 Cl2 O -","- C120 H80 Br16 Cl16 O8 -","8","1","IS2626","Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna","2,3-Dibromo-1,3-bis(4-chlorophenyl)propan-1-one","Acta Crystallographica Section E","2010","66","12","o3131","","10.1107/S1600536810045022","","","0.71073","MoKα","","0.0638","0.0531","","","0.1247","0.1296","","","","","","1.123","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228506","7.3788","0.0009","16.757","0.002","21.53","0.002","90","","90","","90","","2662.1","0.5","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 2-(4-chlorobenzamido)benzoate","","- C15 H12 Cl N O3 -","- C15 H12 Cl N O3 -","- C120 H96 Cl8 N8 O24 -","8","1","OM2376","Khan, Islam Ullah; Şahin, Onur; Javaid, Rashid; Sharif, Shahzad; Büyükgüngör, Orhan","Methyl 2-(4-chlorobenzamido)benzoate","Acta Crystallographica Section E","2010","66","12","o3338","","10.1107/S160053681004897X","","","0.71073","MoKα","","0.2324","0.0586","","","0.0877","0.1336","","","","","","0.967","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228521","12.4341","0.0016","13.7227","0.0018","16.15","0.002","90","","90","","90","","2755.7","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Triethylammonium 3,4-dihydroxybenzoate","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C104 H168 N8 O32 -","8","1","PV2348","Zhu, Li-Cai","Triethylammonium 3,4-dihydroxybenzoate","Acta Crystallographica Section E","2010","66","12","o3092","","10.1107/S1600536810044764","","","0.71073","MoKα","","0.0484","0.0371","","","0.0977","0.1066","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228548","7.8631","0.0001","20.0583","0.0003","20.7259","0.0003","90","","90","","90","","3268.9","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(Anthracen-9-yl)-1-(2-bromophenyl)prop-2-en-1-one","","- C23 H15 Br O -","- C23 H15 Br O -","- C184 H120 Br8 O8 -","8","1","RZ2527","Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Joothamongkhon, Jaruwan; Chantrapromma, Suchada","(<i>E</i>)-3-(Anthracen-9-yl)-1-(2-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","12","o3312","o3313","10.1107/S1600536810048476","","","0.71073","MoKα","","0.0444","0.0298","","","0.0682","0.0732","","","","","","1.023","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228552","6.7353","0.0001","16.1393","0.0003","25.9549","0.0004","90","","90","","90","","2821.38","0.08","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","carbazole","(<i>E</i>)-2-(Furan-2-ylmethylidene)-8-methyl-2,3,4,9-tetrahydro-1<i>H</i>- carbazol-1-one","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","1","SI2306","Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.","(<i>E</i>)-2-(Furan-2-ylmethylidene)-8-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","Acta Crystallographica Section E","2010","66","12","o3145","","10.1107/S1600536810045599","","","1.54184","CuKα","","0.0615","0.0502","","","0.1447","0.1572","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228560","11.9535","0.0008","17.0116","0.0012","18.9219","0.0014","90","","90","","90","","3847.7","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Diethyl 2,5-diphenylfuran-3,4-dicarboxylate","","- C22 H20 O5 -","- C22 H20 O5 -","- C176 H160 O40 -","8","1","SJ5048","Hu, Sheng-Li; Le, Yi-Cheng; Huang, Ling","Diethyl 2,5-diphenylfuran-3,4-dicarboxylate","Acta Crystallographica Section E","2010","66","12","o3116","","10.1107/S1600536810045241","","","0.71073","MoKα","","0.1305","0.0583","","","0.1303","0.1604","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228578","13.386","0.006","9.247","0.004","26.443","0.01","90","","90","","90","","3273","2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(9-Ethyl-9H-carbazol-3-yl)iminomethyl]phenol","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","1","VM2053","Lin, Songzhu; Jia, Ruokun; Gao, Xiaoli; Yu, Haihui; Yuan, Yanlin","4-[(9-Ethyl-9<i>H</i>-carbazol-3-yl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","12","o3194","","10.1107/S1600536810046167","","","0.71073","MoKα","","0.1084","0.0497","","","0.1122","0.1398","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228581","15.9875","0.0006","7.6354","0.0003","16.9963","0.0006","90","","90","","90","","2074.75","0.13","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>c</i>]thiophene- 4,8-dione","","- C11 H12 O2 S -","- C11 H12 O2 S -","- C88 H96 O16 S8 -","8","1","VM2059","Yu, Lijuan; Yin, Yinghui; Zhou, Xiaole; Li, Renjie; Peng, Tianyou","1,3-Dimethyl-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>c</i>]thiophene-4,8-dione","Acta Crystallographica Section E","2010","66","12","o3231","","10.1107/S1600536810047331","","","0.71073","MoKα","","0.0519","0.0392","","","0.0995","0.1087","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228613","14.7356","0.0008","9.953","0.0012","15.7981","0.0012","90","","90","","90","","2317","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Benzoyl-1<i>H</i>-benzimidazole","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","XU5084","Ai, Lin; Shen, Xiu-Min; Ng, Seik Weng","2-Benzoyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2010","66","12","o3164","","10.1107/S1600536810045666","","","0.71073","MoKα","","0.0606","0.0392","","","0.1006","0.115","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228614","7.0107","0.0016","12.655","0.003","37.609","0.009","90","","90","","90","","3336.7","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-Morpholinopropyl)-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-b]quinolin-1-one monohydrate","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C144 H184 N24 O24 -","8","1","XU5085","Long, Yu-Hua; Zhou, Ting; Yang, Ding-Qiao; Wang, Wen-Ling; Zhang, Han-Mei","2-(3-Morpholinopropyl)-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>b</i>]quinolin-1-one monohydrate","Acta Crystallographica Section E","2010","66","12","o3180","","10.1107/S1600536810046349","","","0.71073","MoKα","","0.0926","0.0565","","","0.1227","0.1437","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228658","9.4604","0.0019","17.785","0.004","18.879","0.004","90","","90","","90","","3176.5","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","","- C15 H14 Cl F4 N O -","- C15 H14 Cl F4 N O -","- C120 H112 Cl8 F32 N8 O8 -","8","1","BT5406","Yan, Fan-Yong; Liu, Dong-Qing; Wen, Jing-Yun; Gao, Yun-Ying; Li, Ai-Mei","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","Acta Crystallographica Section E","2011","67","1","o60","","10.1107/S1600536810050464","","","0.71073","MoKα","","0.0612","0.0491","","","0.1265","0.1352","","","","","","1.071","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228659","18.454","0.004","9.335","0.0019","18.981","0.004","90","","90","","90","","3269.8","1.2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2- chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","","- C15 H14 Cl2 F3 N O -","- C15 H14 Cl2 F3 N O -","- C120 H112 Cl16 F24 N8 O8 -","8","1","BT5407","Liu, Dong-Qing; Yan, Fan-Yong; Gao, Yun-Ying; Guo, Lei; Kong, Zi","3-[(<i>E</i>)-2-Chloro-3,3,3-trifluoroprop-1-en-1-yl]-<i>N</i>-(2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide","Acta Crystallographica Section E","2011","67","1","o61","","10.1107/S1600536810050634","","","0.71073","MoKα","","0.0518","0.0441","","","0.1099","0.1151","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228667","8.56","0.0004","14.5379","0.0005","23.3751","0.0009","90","","90","","90","","2908.9","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II)","","- C12 H8 Br2 N4 Zn -","- C12 H8 Br2 N4 Zn -","- C96 H64 Br16 N32 Zn8 -","8","1","BT5431","Ghiasi, Reza","Dibromidobis(pyridine-3-carbonitrile-κ<i>N</i>^1^)zinc(II)","Acta Crystallographica Section E","2011","67","1","m101","","10.1107/S1600536810051342","","","0.71073","MoKα","","0.0593","0.0349","","","","0.07","","","","","","0.973","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228779","11.812","0.003","7.4687","0.0016","33.233","0.007","90","","90","","90","","2931.8","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","(3<i>E</i>,5<i>E</i>)-3,5-bis(4-hydroxybenzylidene)-tetrahydropyran-4-one","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one","","- C19 H16 O4 -","- C19 H16 O4 -","- C152 H128 O32 -","8","1","JH2219","Du, Zhi-Yun; Huang, Hua-Rong; Lu, Yu-Jun; Zhang, Kun; Fang, Yan-Xiong","(3<i>E</i>,5<i>E</i>)-3,5-Bis(4-hydroxybenzylidene)oxan-4-one","Acta Crystallographica Section E","2011","67","1","o116","","10.1107/S1600536810051457","","","0.71073","MoKα","","0.09","0.0453","","","0.105","0.124","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228786","18.3806","0.0005","8.1155","0.0002","30.4715","0.0005","90","","90","","90","","4545.37","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3- methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate","","- C22.5 H24.5 N5.5 O4.5 S -","- C22.5 H24.5 N5.5 O4.5 S -","- C180 H196 N44 O36 S8 -","8","1","JH2242","Ahmad, Matloob; Siddiqui, Hamid Latif; Khattak, Manzoor Iqbal; Ahmad, Saeed; Parvez, Masood","2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3-methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate","Acta Crystallographica Section E","2011","67","1","o216","o217","10.1107/S1600536810052177","","","0.71073","MoKα","","0.0975","0.0564","","","0.1072","0.1247","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228801","13.454","0.003","7.6303","0.0015","24.305","0.005","90","","90","","90","","2495.1","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]thiophene-2-carbohydrazide","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","LH5171","Jiang, Jin-He","<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2011","67","1","o32","","10.1107/S1600536810050002","","","0.71073","MoKα","","0.1307","0.0501","","","0.0989","0.1262","","","","","","0.893","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228825","17.1797","0.0006","10.0736","0.0004","17.47","0.0007","90","","90","","90","","3023.4","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","1","NG5077","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Becker, Barbara","<i>N</i>,<i>N</i>'-Diphenylthiourea acetone monosolvate","Acta Crystallographica Section E","2011","67","1","o55","","10.1107/S1600536810050300","","","0.71073","MoKα","","0.0606","0.0387","","","0.0877","0.0924","","","","","","0.939","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228834","11.0801","0.0003","10.9095","0.0003","29.2474","0.0007","90","","90","","90","","3535.38","0.16","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>tert</i>-Butyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-enecarboxylate","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C144 H176 Cl8 N8 O24 -","8","1","OM2378","Alexander, Mariano S.; North, Henry; Scott, Kenneth R.; Butcher, Ray J.","<i>tert</i>-Butyl 4-(4-chloroanilino)-6-methyl-2-oxocyclohex-3-enecarboxylate","Acta Crystallographica Section E","2011","67","1","o224","","10.1107/S1600536810051743","","","0.71073","MoKα","","0.0663","0.0547","","","0.1636","0.1717","","","","","","1.093","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228840","9.0406","0.0002","17.8177","0.0005","25.9964","0.0006","90","","90","","90","","4187.57","0.18","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one","","- C22 H16 Cl2 N2 O5 -","- C22 H16 Cl2 N2 O5 -","- C176 H128 Cl16 N16 O40 -","8","1","OM2390","Akkurt, Mehmet; Türktekin, Sevim; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi; Büyükgüngör, Orhan","3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one","Acta Crystallographica Section E","2011","67","1","o183","","10.1107/S1600536810052645","","","0.71073","MoKα","","0.0669","0.0468","","","0.1184","0.1287","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228847","12.445","0.0003","14.3866","0.0003","24.1913","0.0005","90","","90","","90","","4331.24","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile","","- C26 H19 Cl N2 O -","- C26 H19 Cl N2 O -","- C208 H152 Cl8 N16 O8 -","8","1","PV2363","Du, Bai-Xiang; Zhou, Jie; Li, Yu-Ling; Wang, Xiang-Shan","2-[3-(2-Chlorophenyl)-5-oxo-1,5-diphenylpentylidene]malononitrile","Acta Crystallographica Section E","2011","67","1","o62","","10.1107/S1600536810050622","","","0.71073","MoKα","","0.0889","0.0486","","","0.1307","0.1531","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228878","14.208","0.003","6.5159","0.0013","21.722","0.004","90","","90","","90","","2011","0.7","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua-μ~3~-4-nitrophthalato-copper(II)]","","- C8 H7 Cu N O8 -","- C8 H7 Cu N O8 -","- C64 H56 Cu8 N8 O64 -","8","1","SJ5060","Guo, Ming-Lin","Poly[diaqua-μ~3~-4-nitrophthalato-copper(II)]","Acta Crystallographica Section E","2011","67","1","m21","m22","10.1107/S1600536810049792","","","0.71073","MoKα","","0.06","0.0481","","","0.1378","0.1441","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228904","13.0931","0.0001","14.5865","0.0001","20.8724","0.0002","90","","90","","90","","3986.26","0.06","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)","","- C16 H27 Br N O5 Re -","- C16 H27 Br N O5 Re -","- C128 H216 Br8 N8 O40 Re8 -","8","1","WM2432","Brink, Alice; Visser, Hendrik G.; Roodt, Andreas","Tetraethylammonium (acetylacetonato)bromidotricarbonylrhenate(I)","Acta Crystallographica Section E","2011","67","1","m34","m35","10.1107/S1600536810050105","","","0.71073","MoKα","","","0.0191","","","","0.0466","","","","","","1.019","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228946","9.4239","0.0004","15.7574","0.0006","23.5398","0.0008","90","","90","","90","","3495.6","0.2","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","methylbenzoxazole diphenylphosphinate","2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate","","- C20 H16 N O3 P -","- C20 H16 N O3 P -","- C160 H128 N8 O24 P8 -","8","1","BH2332","Kleinhans, Dewald J.","2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate","Acta Crystallographica Section E","2011","67","2","o339","","10.1107/S1600536811000420","","","0.71073","MoKα","","0.1003","0.0467","","","0.096","0.1191","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228972","9.0791","0.0014","14.035","0.002","17.165","0.002","90","","90","","90","","2187.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato- κ^2^<i>O</i>,<i>O</i>)copper(II)","","- C6 H7 Br Cu N2 O7 -","- C6 H7 Br Cu N2 O7 -","- C48 H56 Br8 Cu8 N16 O56 -","8","1","BT5450","Silva, Joana A.; Pereira Magalhães, Ana; Ramos Silva, Manuela; Sobral, Abílio J. F. N.; Pereira, Laura C. J.","Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>)copper(II)","Acta Crystallographica Section E","2011","67","2","m160","","10.1107/S160053681100064X","","","0.71073","MoKα","","0.0998","0.0377","","","0.0858","0.137","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228995","11.8724","0.0003","7.1308","0.0001","20.0592","0.0004","90","","90","","90","","1698.21","0.06","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sr(C8 H6 O5)","Poly[μ-aqua-μ~4~-terephthalato-strontium]","","- C8 H6 O5 Sr -","- C8 H6 O5 Sr -","- C64 H48 O40 Sr8 -","8","1","BX2340","Yang, Lei; Zhao, Dan; Li, Guanghua","Poly[μ-aqua-μ~4~-terephthalato-strontium]","Acta Crystallographica Section E","2011","67","2","m282","","10.1107/S1600536810054486","","","0.71073","MoKα","","0.0421","0.027","","","0.0572","0.0621","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229015","13.5307","0.0012","9.7992","0.0009","24.114","0.002","90","","90","","90","","3197.3","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)","","- C28 H40 Cu N6 O4 S2 -","- C28 H40 Cu N6 O4 S2 -","- C112 H160 Cu4 N24 O16 S8 -","4","0.5","CV5037","Yuan, Lin","Bis(2-{[2-(isopropylazaniumyl)ethyl]iminomethyl}-6-methoxyphenolato)copper(II) bis(thiocyanate)","Acta Crystallographica Section E","2011","67","2","m201","","10.1107/S1600536811001322","","","0.71073","MoKα","","0.1091","0.078","","","0.1322","0.1431","","","","","","1.152","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229040","14.414","0.008","12.976","0.007","16.115","0.009","90","","90","","90","","3014","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate)","","- C7 H15 Cl F12 N2 P2 -","- C7 H15 Cl F12 N2 P2 -","- C56 H120 Cl8 F96 N16 P16 -","8","1","FJ2377","Zhu, Run-Qiang","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate)","Acta Crystallographica Section E","2011","67","2","o346","","10.1107/S1600536811000390","","","0.71073","MoKα","","0.061","0.056","","","0.1422","0.1459","","","","","","1.239","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229042","9.988","0.003","6.4547","0.0017","19.184","0.006","90","","90","","90","","1236.8","0.6","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide","","- C5 H5 N3 O3 -","- C5 H5 N3 O3 -","- C40 H40 N24 O24 -","8","1","FJ2382","Liu, Long; He, Chunlin; Li, Zengxi; Li, Chunshan; Zhang, Xiangping; Zhang, Suojiang","<i>N</i>-Nitro-1<i>H</i>-pyrrole-2-carboxamide","Acta Crystallographica Section E","2011","67","2","o479","","10.1107/S1600536811002455","","","0.71073","MoKα","","0.0544","0.0431","","","0.0986","0.1056","","","","","","1.002","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229047","16.407","0.0006","11.3751","0.0004","18.749","0.0007","90","","90","","90","","3499.1","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Cyclohexyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C168 H168 F8 O16 S8 -","8","1","FL2333","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Cyclohexyl-2-(4-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2011","67","2","o470","","10.1107/S1600536811002297","","","0.71073","MoKα","","0.0539","0.0401","","","0.1002","0.1117","","","","","","0.933","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229048","9.9789","0.0016","8.5633","0.0014","13.657","0.002","90","","90","","90","","1167","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1<i>H</i>-Pyrrole-2-carbohydrazide","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","FY2001","Wang, Lina; Liu, Xiangrong; Yang, Chun; Zhao, Shunsheng; Li, Kanshe","1<i>H</i>-Pyrrole-2-carbohydrazide","Acta Crystallographica Section E","2011","67","2","o493","","10.1107/S1600536811002650","","","0.71073","MoKα","","0.0582","0.0428","","","0.1312","0.1463","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229059","7.169","0.0006","14.4303","0.0011","28.667","0.003","90","","90","","90","","2965.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C128 H128 Cl8 N8 O16 -","8","1","HB5773","Llovera, Ligia; Anzenbacher, Jr, Pavel; López, Simón E.; González, Teresa","1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one","Acta Crystallographica Section E","2011","67","2","o315","","10.1107/S1600536810054449","","","0.7107","MoKα","","0.1161","0.0769","","","0.1784","0.1981","","","","","","1.138","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229081","15.7277","0.0004","11.8351","0.0003","16.5247","0.0004","90","","90","","90","","3075.89","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-{4-[(2-Methoxyphenyl)sulfamoyl]phenyl}acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","HG2782","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Adnan, Ahmad; Akkurt, Mehmet","<i>N</i>-{4-[(2-Methoxyphenyl)sulfamoyl]phenyl}acetamide","Acta Crystallographica Section E","2011","67","2","o303","o304","10.1107/S1600536811000432","","","0.71073","MoKα","","0.0632","0.0423","","","0.1071","0.1183","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229134","6.6181","0.0007","11.8477","0.0011","22.386","0.002","90","","90","","90","","1755.3","0.3","299","","299","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trisilver citrate","","- C6 H5 Ag3 O7 -","- C6 H5 Ag3 O7 -","- C48 H40 Ag24 O56 -","8","1","KP2301","Fischer, Andreas","Trisilver(I) citrate","Acta Crystallographica Section E","2011","67","2","m255","","10.1107/S160053681100239X","","","0.71073","MoKα","","0.061","0.032","","","0.045","0.051","","","","","","1.1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229191","11.3469","0.0007","19.5307","0.0012","27.3178","0.0016","90","","90","","90","","6054","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine- κ^3^<i>O</i>,<i>O</i>',<i>O</i>''}calcium bis(perchlorate) acetonitrile disolvate","","- C58 H66 Ca Cl2 N10 O14 -","- C58 H66 Ca Cl2 N10 O14 -","- C232 H264 Ca4 Cl8 N40 O56 -","4","0.5","PV2371","Kose, Muhammet; McKee, Vickie","Bis{tris[2-(2-oxidobenzylideneazaniumyl)ethyl]amine-κ^3^<i>O</i>,<i>O</i>',<i>O</i>''}calcium bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section E","2011","67","2","m149","","10.1107/S1600536810053961","","","0.71073","MoKα","","0.0479","0.039","","","0.103","0.1096","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229194","7.7163","0.0007","17.0786","0.0016","23.427","0.002","90","","90","","90","","3087.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethoxybenzylidene)naphthalen-1-amine","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","1","PV2375","Guo, Ailing; Zhang, Shurong; Liu, Xiaofang; Jiao, Jianhua","<i>N</i>-(2,3-Dimethoxybenzylidene)naphthalen-1-amine","Acta Crystallographica Section E","2011","67","2","o285","","10.1107/S1600536811000079","","","0.71073","MoKα","","0.1131","0.0479","","","0.1214","0.1866","","","","","","1.115","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229207","13.0352","0.0012","10.0882","0.0013","18.709","0.002","90","","90","","90","","2460.3","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-phenylseleninato- κ^2^<i>O</i>:<i>O</i>']","","- C9 H14 O2 Se Sn -","- C9 H14 O2 Se Sn -","- C72 H112 O16 Se8 Sn8 -","8","1","RZ2544","Guo, Mengjie; Ru, Jing; Zhang, Rufen","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-phenylseleninato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","2","m152","","10.1107/S1600536810054243","","","0.71073","MoKα","","0.0439","0.028","","","0.0626","0.0689","","","","","","1.064","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229287","7.427","0.005","17.708","0.005","18.748","0.005","90","","90","","90","","2465.7","1.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Carboxyphenyl)-1<i>H</i>-imidazol-3-ium chloride dihydrate","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C80 H104 Cl8 N16 O32 -","8","1","XU5134","Yu, Zhi-Peng; Geng, Wen-Qian; Kong, Lin; Zhou, Hong-Ping","1-(4-Carboxyphenyl)-1<i>H</i>-imidazol-3-ium chloride dihydrate","Acta Crystallographica Section E","2011","67","2","o452","","10.1107/S1600536811001838","","","0.71069","MoKα","","0.0652","0.0398","","","0.1187","0.1455","","","","","","0.955","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229291","11.26","0.002","11.888","0.002","18.978","0.004","90","","90","","90","","2540.4","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[1-(4-Chlorophenyl)ethyl]-1,3-thiazinane-2-thione","","- C12 H14 Cl N S2 -","- C12 H14 Cl N S2 -","- C96 H112 Cl8 N8 S16 -","8","1","XU5140","Gong, Yuan-Yuan; Zhang, Peng; Wang, Ming-Hui","3-[1-(4-Chlorophenyl)ethyl]-1,3-thiazinane-2-thione","Acta Crystallographica Section E","2011","67","2","o514","","10.1107/S1600536811002078","","","0.71073","MoKα","","0.0451","0.0382","","","0.0847","0.0885","","","","","","1.108","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229313","17.604","0.004","10.199","0.002","19.241","0.004","90","","90","","90","","3454.6","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>rac</i>-4-Amino-1-(2-benzoyl-1-phenylethyl)-3-methyl-1<i>H</i>- 1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H18 N4 O S -","- C18 H18 N4 O S -","- C144 H144 N32 O8 S8 -","8","1","ZS2086","Wang, Wei; Gao, Yan; Xiao, Zuo-bing; Yao, Hong-guo; Zhang, Jing-jing","<i>rac</i>-4-Amino-1-(2-benzoyl-1-phenylethyl)-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2011","67","2","o348","","10.1107/S1600536810054255","","","0.71073","MoKα","","0.0685","0.0551","","","0.1292","0.1372","","","","","","1.131","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229419","10.9479","0.0002","11.347","0.0003","17.7392","0.0004","90","","90","","90","","2203.67","0.09","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","IS2676","Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Sarveswari, S.","1,3-Dimethyl-4-phenylsulfanyl-1<i>H</i>-pyrazol-5-ol","Acta Crystallographica Section E","2011","67","3","o633","","10.1107/S1600536811004922","","","0.71073","MoKα","","0.0521","0.0386","","","0.0946","0.1038","","","","","","1.039","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229433","7.3061","0.0005","13.8392","0.0009","14.6799","0.001","90","","90","","90","","1484.29","0.17","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Chloro-2-methyl-3-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C56 H48 Cl8 N8 O16 -","8","1","JJ2075","Pearce, Matthew A.; Tanski, Joseph M.","1-Chloro-2-methyl-3-nitrobenzene","Acta Crystallographica Section E","2011","67","3","o608","","10.1107/S1600536811004466","","","0.71073","MoKα","","0.0374","0.0314","","","0.0855","0.0901","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229534","11.5329","0.0001","17.0104","0.0004","21.0021","0.0005","90","","90","","90","","4120.18","0.14","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]","","- C38 H36 Br6 Cu2 N2 O4 -","- C38 H36 Br6 Cu2 N2 O4 -","- C152 H144 Br24 Cu8 N8 O16 -","4","0.5","VN2002","Sangtrirutnugul, Preeyanuch; Haesuwannakij, Setsiri; Sooksimuang, Thanasat; Prabpai, Samran; Kongsaeree, Palangpon","Bis[2,6-bis(2-methoxyphenyl)pyridinium] di-μ-bromido-bis[dibromidocuprate(II)]","Acta Crystallographica Section E","2011","67","3","m299","m300","10.1107/S1600536811003588","","","0.71073","MoKα","","0.065","0.0416","","","0.0957","0.1042","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229547","10.476","0.002","16.552","0.004","20.238","0.004","90","","90","","90","","3509.2","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C136 H168 N8 O56 -","8","1","XU5153","Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer","Dimethyl 5,6,7-trimethoxy-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2011","67","3","o576","","10.1107/S1600536811004028","","","0.71073","MoKα","","0.1433","0.0697","","","0.1235","0.156","","","","","","1.073","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229639","17.822","0.002","9.0616","0.0011","21.473","0.003","90","","90","","90","","3467.8","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>- imidazol-2-yl]palladium(II) methanol disolvate","","- C38 H40 N6 O4 Pd -","- C38 H40 N6 O4 Pd -","- C152 H160 N24 O16 Pd4 -","4","0.5","FJ2398","Lee, Hon Man; Chang, Yu-Chuan","<i>trans</i>-Bis[1-(2-anilino-2-oxoethyl)-3-benzyl-1<i>H</i>-imidazol-2-yl]palladium(II) methanol disolvate","Acta Crystallographica Section E","2011","67","4","m467","","10.1107/S1600536811007768","","","0.71073","MoKα","","0.0731","0.0322","","","0.0706","0.0842","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229668","9.7197","0.0002","18.7729","0.0006","29.8372","0.0007","90","","90","","90","","5444.3","0.2","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","{4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato- κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)","","- C31 H23 Br N Ni O P S -","- C31 H23 Br N Ni O P S -","- C248 H184 Br8 N8 Ni8 O8 P8 S8 -","8","1","HB5813","Tamizh, M. Muthu; Karvembu, R.; Varghese, B.; Tiekink, Edward R. T.","{4-Bromo-2-[(2-sulfidophenyl)iminomethyl]phenolato-κ^3^<i>S</i>,<i>N</i>,<i>O</i>}(triphenylphosphane-κ<i>P</i>)nickel(II)","Acta Crystallographica Section E","2011","67","4","m441","","10.1107/S1600536811008907","","","0.71073","MoKα","","0.072","0.035","","","0.077","0.092","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229722","11.3091","0.0002","14.9442","0.0003","24.6045","0.0005","90","","90","","90","","4158.29","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","3,5-Diamino-1,2‒4 triazolium-bis(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium (6-carboxypyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","","- C16 H19 Cu N7 O11 -","- C16 H19 Cu N7 O11 -","- C128 H152 Cu8 N56 O88 -","8","1","IS2693","Yousuf, S.; Johnson, A. S.; Kazmi, S. A.; Offiong, O. E.; Fun, Hoong-Kun","3,5-Diamino-4<i>H</i>-1,2,4-triazol-1-ium (6-carboxypyridine-2-carboxylato)(pyridine-2,6-dicarboxylato)cuprate(II) trihydrate","Acta Crystallographica Section E","2011","67","4","m509","m510","10.1107/S1600536811011147","","","0.71073","MoKα","","0.0649","0.0386","","","0.0866","0.0976","","","","","","1.046","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229730","16.641","0.003","13.616","0.002","23.238","0.004","90","","90","","90","","5265.4","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-<i>N</i>,2-\ dioxidobenzene-1-carboximidato)pentacopper(II)","","- C50 H70 Cu5 N8 O14 -","- C50 H70 Cu5 N8 O14 -","- C200 H280 Cu20 N32 O56 -","4","0.5","JJ2076","Herring, Jacob; Zeller, Matthias; Zaleski, Curtis M.","Bis(tetraethylammonium) bis(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentacopper(II)","Acta Crystallographica Section E","2011","67","4","m419","m420","10.1107/S1600536811007975","","","0.71073","MoKα","","0.0635","0.0427","","","0.0958","0.1037","","","","","","1.118","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229749","10.297","0.0003","10.0817","0.0003","33.5158","0.0011","90","","90","","90","","3479.32","0.18","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1,3-Benzothiazol-2-yl)guanidine","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C128 H128 N64 S16 -","16","2","LH5214","Mohamed, Shaaban Kamel; El-Remaily, Mahmoud A. A.; Soliman, Ahmed M.; Gurbanov, Atash V.; Ng, Seik Weng","2-(1,3-Benzothiazol-2-yl)guanidine","Acta Crystallographica Section E","2011","67","4","o786","","10.1107/S160053681100732X","","","0.71073","MoKα","","0.0487","0.0394","","","0.1023","0.1111","","","","","","1.127","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229857","15.1435","0.0001","8.4364","0.0001","22.9454","0.0002","90","","90","","90","","2931.43","0.05","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","TK2725","Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Narayana, B.","(2<i>E</i>)-3-(3,4-Dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o813","","10.1107/S1600536811007781","","","1.54184","CuKα","","0.05","0.0438","","","0.1262","0.1315","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229899","11.853","0.002","9.6507","0.0018","22.921","0.004","90","","90","","90","","2621.9","0.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide","","- C14 H10 Br F N2 O -","- C14 H10 Br F N2 O -","- C112 H80 Br8 F8 N16 O8 -","8","1","ZQ2093","Zhang, Dong-Fang; Liu, Da-Yong; Li, Chuan-Xun; Huang, Shan-Shan; Zhang, Bao-Jing","(<i>E</i>)-<i>N</i>'-(2-Bromobenzylidene)-2-fluorobenzohydrazide","Acta Crystallographica Section E","2011","67","4","o940","","10.1107/S1600536811009937","","","0.71073","MoKα","","0.0899","0.0432","","","0.0823","0.0958","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229902","9.2162","0.0014","10.0174","0.0014","35.051","0.005","90","","90","","90","","3236","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Picric acid‒2,4,6-trichloroaniline (1/1)","","- C12 H7 Cl3 N4 O7 -","- C12 H7 Cl3 N4 O7 -","- C96 H56 Cl24 N32 O56 -","8","1","ZS2097","Wang, Wan-Qiang","Picric acid‒2,4,6-trichloroaniline (1/1)","Acta Crystallographica Section E","2011","67","4","o860","","10.1107/S160053681100571X","","","0.71073","MoKα","","0.0886","0.0581","","","0.1105","0.1203","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229907","16.8864","0.0017","6.6653","0.0007","18.238","0.002","90","","90","","90","","2052.7","0.4","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","","- C11 H14 O3 -","- C11 H14 O3 -","- C88 H112 O24 -","8","1","BH2346","Betz, Richard; Gerber, Thomas; Schalekamp, Henk","2-Hydroxy-6-isopropyl-3-methylbenzoic acid","Acta Crystallographica Section E","2011","67","5","o1063","","10.1107/S1600536811011998","","","0.71073","MoKα","","0.1226","0.0535","","","0.126","0.1542","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229919","10.7864","0.0003","11.1264","0.0003","21.9775","0.0005","90","","90","","90","","2637.6","0.12","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone","","- C12 H12 Cl N3 O5 -","- C12 H12 Cl N3 O5 -","- C96 H96 Cl8 N24 O40 -","8","1","BT5492","Luo, Xun; Huang, Yun-Chuang; Gao, Chao; Yu, Luo-Ting","(2-Chloro-3,5-dinitrophenyl)(piperidin-1-yl)methanone","Acta Crystallographica Section E","2011","67","5","o1066","","10.1107/S1600536811011469","","","0.7107","MoKα","","0.0437","0.0331","","","0.0711","0.0765","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229955","6.498","0.0001","11.874","0.0001","20.5897","0.0002","90","","90","","90","","1588.64","0.03","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium formate","","- C5 H13 N O5 -","- C5 H13 N O5 -","- C40 H104 N8 O40 -","8","1","CV5073","Ren, Guo-Bin; Qi, Ming-Hui; Chen, Jin-Yao; Meng, Kun-Yan; Zhong, Jia-Liang","1,3-Dihydroxy-2-(hydroxymethyl)propan-2-aminium formate","Acta Crystallographica Section E","2011","67","5","o1264","","10.1107/S1600536811015534","","","1.54178","CuKα","","0.0355","0.0343","","","0.0933","0.0949","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229966","10.3992","0.0005","7.6402","0.0004","35.4173","0.0016","90","","90","","90","","2814","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dicarbonyl(η^5^-cyclopentadienyl)[2-(phenylsulfanyl)ethyl]iron(II)","","- C15 H14 Fe O2 S -","- C15 H14 Fe O2 S -","- C120 H112 Fe8 O16 S8 -","8","1","DN2676","Mkhize, Dennis S.; Nyamori, Vincent O.; Bala, Muhammad D.","Dicarbonyl(η^5^-cyclopentadienyl)[2-(phenylsulfanyl)ethyl]iron(II)","Acta Crystallographica Section E","2011","67","5","m644","","10.1107/S160053681101511X","","","0.71073","MoKα","","0.0862","0.0747","","","0.1493","0.1531","","","","","","1.262","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229994","7.4581","0.0009","16.848","0.0015","21.356","0.002","90","","90","","90","","2683.5","0.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile","","- C16 H10 Cl F N2 -","- C16 H10 Cl F N2 -","- C128 H80 Cl8 F8 N16 -","8","1","HB5823","Yang, Kun; Li, Pei-Fan; Liu, Yan; Fang, Zhi-Zhong","1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile","Acta Crystallographica Section E","2011","67","5","o1041","","10.1107/S1600536811011214","","","0.71075","MoKα","","0.0509","0.0407","","","0.1059","0.1128","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230013","13.4757","0.0007","8.517","0.0006","24.6285","0.0017","90","","90","","90","","2826.7","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide","","- C14 H9 N3 O6 -","- C14 H9 N3 O6 -","- C112 H72 N24 O48 -","8","1","HB5852","Saeed, Sohail; Rashid, Naghmana; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitro-<i>N</i>-(4-nitrobenzoyl)benzamide","Acta Crystallographica Section E","2011","67","5","o1194","","10.1107/S1600536811014450","","","0.71073","MoKα","","0.1167","0.0654","","","0.1708","0.2173","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230017","14.309","0.003","8.533","0.0017","19.432","0.004","90","","90","","90","","2372.6","0.8","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(3-Methoxyphenoxy)benzoic acid","","- C14 H12 O4 -","- C14 H12 O4 -","- C112 H96 O32 -","8","1","HG5013","Zhang, Zhi-Fang","2-(3-Methoxyphenoxy)benzoic acid","Acta Crystallographica Section E","2011","67","5","o1078","","10.1107/S1600536811011019","","","0.71073","MoKα","","0.1439","0.0623","","","0.1103","0.1327","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230022","11.593","0.003","9.182","0.002","27.796","0.006","90","","90","","90","","2958.8","1.2","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-isopropyl-2-oxoacetamide","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C128 H160 N16 O24 -","8","1","HG5020","Tang, Xiao-Wei; Zhu, Tie-Liang; Chen, Hong; Tian, Dan-Li; Shi, Shao-Yu","2-(1-Ethyl-5-methoxy-1<i>H</i>-indol-3-yl)-<i>N</i>-isopropyl-2-oxoacetamide","Acta Crystallographica Section E","2011","67","5","o1158","","10.1107/S1600536811012815","","","0.71073","MoKα","","0.0501","0.0471","","","0.1301","0.1329","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230049","14.526","0.004","8.957","0.003","27.126","0.008","90","","90","","90","","3529.3","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C184 H128 N16 O8 -","8","1","JH2278","Wei, Bin","2-{4-[(Quinolin-8-yloxy)methyl]phenyl}benzonitrile","Acta Crystallographica Section E","2011","67","5","o1209","","10.1107/S1600536811012724","","","0.71073","MoKα","","0.1186","0.0824","","","0.1902","0.2217","","","","","","1.244","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2230198","10.4695","0.0016","9.0346","0.0011","28.361","0.003","90","","90","","90","","2682.6","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate","","- C14 H11 Cl F N O2 -","- C14 H11 Cl F N O2 -","- C112 H88 Cl8 F8 N8 O16 -","8","1","ZJ2005","Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K.","Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate","Acta Crystallographica Section E","2011","67","5","o1137","","10.1107/S1600536811012608","","","1.54184","CuKα","","0.1109","0.0703","","","0.1739","0.2341","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230291","22.1321","0.0015","13.8746","0.001","22.2594","0.0016","90","","90","","90","","6835.3","0.8","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate","","- C30 H32 Br4 Cd N4 O S2 -","- C30 H32 Br4.002 Cd N4 O S2 -","- C240 H256 Br32.016 Cd8 N32 O8 S16 -","8","1","DS2093","Manjunatha, M. N.; Ziaulla, Mohamed; Begum, Noor Shahina; Nagasundara, K. R.","Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate","Acta Crystallographica Section E","2011","67","6","m771","","10.1107/S1600536811018058","","","0.71073","MoKα","","0.0526","0.0342","","","0.072","0.0791","","","","","","0.791","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230304","7.3339","0.0006","16.826","0.0014","26.677","0.002","90","","90","","90","","3291.9","0.5","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O5 -","- C19 H20 O5 -","- C152 H160 O40 -","8","1","FF2009","Cai, Yuepiao; Wang, Zhankun; Li, Zhe; Zhang, Meiling; Wu, Jianzhang","(<i>E</i>)-1-(4-Methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1432","","10.1107/S1600536811017788","","","0.71073","MoKα","","0.039","0.0371","","","0.1054","0.1078","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230323","12.775","0.0006","13.587","0.0007","16.492","0.0009","90","","90","","90","","2862.6","0.3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Chloro-5-cyclopropyl-9-methyl-5<i>H</i>-4,5,6,10- tetraazadibenzo[<i>a</i>,<i>d</i>]cyclohepten-11(10<i>H</i>)-one","","- C15 H13 Cl N4 O -","- C15 H13 Cl N4 O -","- C120 H104 Cl8 N32 O8 -","8","1","GK2369","Naveen, S.; Thimmegowda, N. R.; Manjunath, H. R.; Sridhar, M. A.; Prasad, J. Shashidhara; Rangappa, K. S.","7-Chloro-5-cyclopropyl-9-methyl-5<i>H</i>-4,5,6,10-tetraazadibenzo[<i>a</i>,<i>d</i>]cyclohepten-11(10<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1445","o1446","10.1107/S1600536811018022","","","0.71073","MoKα","","0.0476","0.0402","","","0.1081","0.1136","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230329","19.5365","0.0012","16.3544","0.001","21.3272","0.0013","90","","90","","90","","6814.2","0.7","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido- 2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^- pentamethylcyclopentadienyl)lithiumtantalum(V)","","- C34 H51 Cl Li N2 O Ta -","- C34 H51 Cl Li N2 O Ta -","- C272 H408 Cl8 Li8 N16 O8 Ta8 -","8","1","HB5832","Cole, Jacqueline M.; Chan, Michael C. W.; Gibson, Vernon C.; Howard, Judith A. K.","Bis(μ-2-<i>tert</i>-butylphenylimido-1:2κ^2^<i>N</i>:<i>N</i>)chlorido-2κ<i>Cl</i>-(diethyl ether-1κ<i>O</i>)(2η^5^-pentamethylcyclopentadienyl)lithiumtantalum(V)","Acta Crystallographica Section E","2011","67","6","m688","m689","10.1107/S1600536811015650","","","0.71073","MoKα","","0.0538","0.0525","","","0.1049","0.1054","","","","","","1.231","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230337","13.393","0.0011","14.174","0.0016","14.571","0.0015","90","","90","","90","","2766","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","HB5868","Vijay Kumar, D.; Thippeswamy, G. B.; Jayashree, B. S.; Sridhar, M. A.","1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","6","o1492","","10.1107/S1600536811018381","","","0.71073","MoKα","","0.1063","0.073","","","0.1746","0.2091","","","","","","1.146","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230338","15.9282","0.0003","6.1123","0.0002","18.3315","0.0004","90","","90","","90","","1784.72","0.08","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol","","- C18 H22 Br2 N2 O2 -","- C18 H22 Br2 N2 O2 -","- C72 H88 Br8 N8 O8 -","4","0.5","HB5874","Rivera, Augusto; Rojas, Jicli José; Ríos-Motta, Jaime; Dušek, Michal; Fejfarová, Karla","4,4'-Dibromo-2,2'-{ethane-1,2-diylbis[(methylimino)methylene]}diphenol","Acta Crystallographica Section E","2011","67","6","o1391","","10.1107/S1600536811017193","","","1.5418","CuKα","","0.0232","0.0213","","","0.0726","0.0745","","","","","","1.52","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230343","9.1057","0.0003","12.7031","0.0004","21.3874","0.0005","90","","90","","90","","2473.89","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C120 H120 N8 O24 -","8","1","HB5881","Gündoğdu, Cevher; Göçmentürk, Mustafa; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer","Ethyl 4-oxo-2,3,4,9-tetrahydro-1<i>H</i>-carbazole-3-carboxylate","Acta Crystallographica Section E","2011","67","6","o1470","o1471","10.1107/S1600536811018678","","","0.71073","MoKα","","0.0599","0.0416","","","0.0935","0.1022","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230371","17.6174","0.0007","7.2025","0.0003","25.7706","0.001","90","","90","","90","","3270","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Formyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","","- C18 H14 O6 S -","- C18 H14 O6 S -","- C144 H112 O48 S8 -","8","1","IS2704","Yuvaraj, H.; Gayathri, D.; Kalkhambkar, Rajesh G.; Kulkarni, Geeta M.; Bapset, Rajendra M.","8-Formyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2011","67","6","o1513","","10.1107/S1600536811018927","","","0.71073","MoKα","","0.0607","0.0426","","","0.1193","0.1352","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230400","12.403","0.003","9.329","0.0019","12.81","0.003","90","","90","","90","","1482.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato- κ^2^<i>O</i>:<i>O</i>')lithium(I)]","","- C5 H4 Li N3 O5 -","- C5 H4 Li N3 O5 -","- C40 H32 Li8 N24 O40 -","8","1","KP2322","Starosta, Wojciech; Leciejewicz, Janusz","Poly[(μ~2~-nitrato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-pyrimidinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')lithium(I)]","Acta Crystallographica Section E","2011","67","6","m818","","10.1107/S1600536811019520","","","0.71073","MoKα","","0.0778","0.0498","","","0.136","0.1531","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230401","5.4501","0.001","15.825","0.003","21.889","0.004","90","","90","","90","","1887.9","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Bis[2-(prop-1-enyl)phenoxy]butane","","- C22 H26 O2 -","- C22 H26 O2 -","- C88 H104 O8 -","4","0.5","KP2326","Bayramov, Musa R.; Maharramov, Abel M.; Mehdiyeva, Gunay M.; Hoseinzadeh, Shahnaz B.; Askerov, Rizvan K.","1,4-Bis[2-(prop-1-enyl)phenoxy]butane","Acta Crystallographica Section E","2011","67","6","o1478","","10.1107/S1600536811018538","","","0.71073","MoKα","","0.0774","0.0424","","","0.1207","0.1506","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230407","7.341","0.0007","12.4094","0.0013","38.074","0.004","90","","90","","90","","3468.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(2-hydroxyethanaminium) biphenyl-4,4'-dicarboxylate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","LH5226","Deng, Bin; Yu, Rui-Jin","Bis(2-hydroxyethanaminium) biphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2011","67","6","o1337","","10.1107/S1600536811013523","","","0.71073","MoKα","","0.0891","0.0664","","","0.158","0.1726","","","","","","1.083","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230423","10.0728","0.0004","11.2577","0.0004","20.367","0.0006","90","","90","","90","","2309.55","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide","","- C11 H14 Br N O -","- C11 H14 Br N O -","- C88 H112 Br8 N8 O8 -","8","1","LH5254","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Kennedy, Alan R.; De Almeida Santos, Regina H.","2-Bromo-2-methyl-<i>N</i>-<i>p</i>-tolylpropanamide","Acta Crystallographica Section E","2011","67","6","o1543","","10.1107/S1600536811019337","","","0.71073","MoKα","","0.0822","0.0453","","","0.0801","0.093","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230434","9.3656","0.0002","13.7515","0.0003","18.7917","0.0004","90","","90","","90","","2420.2","0.09","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Adamantan-1-yl)-2-chloroacetamide","","- C12 H18 Cl N O -","- C12 H18 Cl N O -","- C96 H144 Cl8 N8 O8 -","8","1","NK2092","Onajole, Oluseye K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","<i>N</i>-(Adamantan-1-yl)-2-chloroacetamide","Acta Crystallographica Section E","2011","67","6","o1444","","10.1107/S1600536811018046","","","0.71073","MoKα","","0.044","0.0368","","","0.0998","0.1058","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230450","11.799","0.002","11.529","0.002","26.22","0.005","90","","90","","90","","3566.7","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole","","- C23 H21 N O -","- C23 H21 N O -","- C184 H168 N8 O8 -","8","1","PV2412","Xu, Hong; Sun, Hong-shun; Luo, Feng-mao; Ding, Jian-qing","1-Butyl-3-(1-naphthoyl)-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","6","o1349","","10.1107/S1600536811016631","","","0.71073","MoKα","","0.1358","0.06","","","0.1446","0.1717","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230477","19.5821","0.0013","20.3531","0.0014","22.4764","0.0016","90","","90","","90","","8958.1","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]- κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III)","","- C45 H39 N6 O6 S3 Sm -","- C45 H39 N6 O6 S3 Sm -","- C360 H312 N48 O48 S24 Sm8 -","8","1","SJ5128","Ge, Guo-Di; Shen, Jin-Bei; Zhao, Guo-Liang","Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]-κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III)","Acta Crystallographica Section E","2011","67","6","m706","m707","10.1107/S1600536811016205","","","0.71073","MoKα","","0.0918","0.0395","","","0.0646","0.0771","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230533","10.759","0.0001","7.3189","0.0001","28.9222","0.0003","90","","90","","90","","2277.45","0.04","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-{[2-(4-Chlorophenyl)hydrazinylidene]methyl}phenol","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C104 H88 Cl8 N16 O8 -","8","1","XU5209","Lo, Kong Mun; Ng, Seik Weng","2-{[2-(4-Chlorophenyl)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E","2011","67","6","o1452","","10.1107/S1600536811017958","","","0.71073","MoKα","","0.0354","0.0314","","","0.0858","0.089","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230540","10.838","0.003","7.2601","0.0017","15.526","0.004","90","","90","","90","","1221.7","0.5","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-(Hydroxymethyl)furan-2-carboxylic acid","","- C6 H6 O4 -","- C6 H6 O4 -","- C48 H48 O32 -","8","1","XU5218","Liu, Jun-Liang; Xu, Qing-Yan","5-(Hydroxymethyl)furan-2-carboxylic acid","Acta Crystallographica Section E","2011","67","6","o1548","","10.1107/S1600536811019489","","","0.71073","MoKα","","0.0377","0.0354","","","0.0882","0.0899","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230572","10.105","0.009","8.485","0.008","31.37","0.03","90","","90","","90","","2690","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-Nitrophenyl)-4-oxo-4-phenylbutanenitrile","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C128 H96 N16 O24 -","8","1","BH2356","Yang, Jingya; Zhou, Hongyan; Li, Zheng","2-(3-Nitrophenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2011","67","7","o1610","","10.1107/S1600536811021052","","","0.71073","MoKα","","0.09","0.0498","","","0.1048","0.1218","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230614","13.7138","0.0004","6.7088","0.0002","25.3217","0.0007","90","","90","","90","","2329.68","0.12","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C104 H80 Br8 N24 -","8","1","DN2697","Ouzidan, Younes; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen","6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2011","67","7","o1684","","10.1107/S1600536811022318","","","0.71073","MoKα","","0.0479","0.0325","","","0.0812","0.0898","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230624","8.4548","0.001","13.9166","0.0013","20.831","0.002","90","","90","","90","","2451","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(2-Bromobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium bromide","","- C11 H12 Br2 N2 -","- C11 H12 Br2 N2 -","- C88 H96 Br16 N16 -","8","1","FF2011","Dong, Jian-Yu; You, Tian-Pa","3-(2-Bromobenzyl)-1-methyl-1<i>H</i>-imidazol-3-ium bromide","Acta Crystallographica Section E","2011","67","7","o1568","","10.1107/S1600536811019842","","","0.71073","MoKα","","0.1001","0.0641","","","0.1195","0.1304","","","","","","1.187","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230640","8.1167","0.0007","10.6662","0.0012","12.7127","0.0011","90","","90","","90","","1100.59","0.18","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine","3-(5,6-dimethyl-1,2,4-triazin-3-yl)-5,6-dimethyl-1,2,4-triazine","","- C10 H12 N6 -","- C10 H12 N6 -","- C40 H48 N24 -","4","0.5","FY2014","Wolińska, Ewa; Karczmarzyk, Zbigniew; Rykowski, Andrzej; Wysocki, Waldemar","5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine","Acta Crystallographica Section E","2011","67","7","o1613","","10.1107/S1600536811020691","","","1.54178","CuKα","","0.0858","0.0641","","","0.2354","0.272","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230656","9.931","0.0018","16.342","0.003","23.516","0.005","90","","90","","90","","3816.5","1.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C176 H168 N24 O24 S8 -","8","1","HB5886","Eltayeb, Naser Eltaher; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun","4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2011","67","7","o1721","o1722","10.1107/S160053681102304X","","","0.71073","MoKα","","0.1003","0.0961","","","0.206","0.2077","","","","","","1.281","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230700","12.2099","0.0008","11.6922","0.0008","23.2513","0.0015","90","","90","","90","","3319.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-pyridine-2,3-dicarboxylato- κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate]","","- C19 H13 N3 O5 Zn -","- C19 H13 N3 O5 Zn -","- C152 H104 N24 O40 Zn8 -","8","1","HY2421","Qin, Zhen-Hua; Lou, Shu-Fang; Wang, Na; Wang, Fu-Yu","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-pyridine-2,3-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^2^:<i>O</i>^2'^,<i>O</i>^3^] monohydrate]","Acta Crystallographica Section E","2011","67","7","m864","","10.1107/S1600536811020344","","","0.71073","MoKα","","0.0637","0.0506","","","0.161","0.1748","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230708","21.937","0.0013","7.4569","0.0005","23.2379","0.0014","90","","90","","90","","3801.3","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[bis(2-chlorobenzoato- κ^2^<i>O</i>,<i>O</i>')lead(II)]","","- C38 H24 Cl4 N2 O8 Pb2 -","- C38 H24 Cl4 N2 O8 Pb2 -","- C152 H96 Cl16 N8 O32 Pb8 -","4","0.5","HY2436","Feng, Tian-Jun","μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[bis(2-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]","Acta Crystallographica Section E","2011","67","7","m935","","10.1107/S1600536811022422","","","0.71073","MoKα","","0.0389","0.0262","","","0.0659","0.0806","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230737","7.7207","0.0006","14.4411","0.0012","26.064","0.002","90","","90","","90","","2906","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 Cl O4 -","- C16 H13 Cl O4 -","- C128 H104 Cl8 O32 -","8","1","IS2727","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Chlorophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1687","","10.1107/S1600536811021246","","","0.71073","MoKα","","0.0659","0.041","","","0.101","0.116","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230741","12.0046","0.0012","7.9329","0.0009","22.925","0.003","90","","90","","90","","2183.2","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C112 H96 N16 O8 -","8","1","IS2731","Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Chanawanno, Kullapa; Wisitsak, Pitikan; Fun, Hoong-Kun","(<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","7","o1770","o1771","10.1107/S1600536811023634","","","0.71073","MoKα","","0.065","0.0476","","","0.1184","0.1321","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230768","7.8406","0.0005","16.8767","0.0012","17.542","0.0013","90","","90","","90","","2321.2","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-Ethyl 2-benzylidene-3-oxobutanoate","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","KP2335","Ismiyev, Arif I.","(<i>Z</i>)-Ethyl 2-benzylidene-3-oxobutanoate","Acta Crystallographica Section E","2011","67","7","o1863","","10.1107/S1600536811024974","","","0.71073","MoKα","","0.1065","0.0526","","","0.1008","0.1248","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230780","9.4498","0.0019","10.856","0.002","21.93","0.004","90","","90","","90","","2249.7","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)pyrrolidine-1-carboxamide","","- C11 H13 Cl N2 O -","- C11 H13 Cl N2 O -","- C88 H104 Cl8 N16 O8 -","8","1","LH5257","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)pyrrolidine-1-carboxamide","Acta Crystallographica Section E","2011","67","7","o1792","","10.1107/S1600536811024111","","","0.71073","MoKα","","0.0511","0.0458","","","0.1249","0.1304","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230785","7.8424","0.0005","14.6799","0.0009","25.7677","0.0014","90","","90","","90","","2966.5","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate","","- C16 H13 Br O4 -","- C16 H13 Br O4 -","- C128 H104 Br8 O32 -","8","1","LH5263","Fun, Hoong-Kun; Quah, Ching Kheng; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.","2-(4-Bromophenyl)-2-oxoethyl 2-methoxybenzoate","Acta Crystallographica Section E","2011","67","7","o1724","","10.1107/S1600536811023002","","","0.71073","MoKα","","0.0747","0.0368","","","0.0806","0.0946","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230808","11.4968","0.0009","6.799","0.0005","26.883","0.002","90","","90","","90","","2101.4","0.3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Potassium <i>N</i>-chloro-<i>o</i>-toluenesulfonamidate monohydrate","","- C7 H9 Cl K N O3 S -","- C7 H9 Cl K N O3 S -","- C56 H72 Cl8 K8 N8 O24 S8 -","8","1","NC2234","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.","Potassium <i>N</i>-chloro-<i>o</i>-toluenesulfonamidate monohydrate","Acta Crystallographica Section E","2011","67","7","m961","","10.1107/S1600536811023555","","","0.71073","MoKα","","0.0472","0.0441","","","0.1206","0.1231","","","","","","0.923","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230819","11.2417","0.0018","8.2532","0.001","26.57","0.004","90","","90","","90","","2465.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","1","NG5187","Harrad, Mohamed Anoir; Boualy, Brahim; Oudahmane, Abdelghani; Avignant, Daniel; Rizzoli, Corrado","(<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one","Acta Crystallographica Section E","2011","67","7","o1818","","10.1107/S1600536811024494","","","0.71073","MoKα","","0.1114","0.0498","","","0.1218","0.1419","","","","","","0.935","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230820","8.168","0.0002","16.4046","0.0004","28.8651","0.0007","90","","90","","90","","3867.71","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl 2-{[3-(2-methoxybenzyl)thiophen-2-yl]methylidene}malonate","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","NK2101","Ranjith, S.; Sakthi Murugesan, K.; Subbiah Pandi, A.; Dhayalan, V.; Mohana Krishnan, A. K.","Diethyl 2-{[3-(2-methoxybenzyl)thiophen-2-yl]methylidene}malonate","Acta Crystallographica Section E","2011","67","7","o1688","","10.1107/S1600536811022525","","","0.71073","MoKα","","0.0613","0.0424","","","0.1317","0.1449","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230823","9.265","0.0013","16.402","0.002","22.74","0.003","90","","90","","90","","3455.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide","","- C15 H18 N2 O4 S2 -","- C15 H18 N2 O4 S2 -","- C120 H144 N16 O32 S16 -","8","1","OM2431","Sheikh, Tahir Ali; Khan, Islam Ullah; Harrison, William T. A.; Ejaz","<i>N</i>-[3-(Benzenesulfonamido)propyl]benzenesulfonamide","Acta Crystallographica Section E","2011","67","7","o1737","","10.1107/S1600536811020150","","","0.71073","MoKα","","0.1514","0.0686","","","0.1534","0.1808","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230867","17.779","0.004","7.1575","0.0014","21.306","0.004","90","","90","","90","","2711.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C128 H96 F8 N8 O24 -","8","1","SJ5156","Wu, Weiyao; Lin, Huihui; Wan, Chong-Qing; Cao, Sheng-Li","5-Fluoro-1-(4-methoxybenzyl)indoline-2,3-dione","Acta Crystallographica Section E","2011","67","7","o1834","","10.1107/S1600536811023488","","","0.71073","MoKα","","0.1151","0.0486","","","0.1075","0.1357","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230940","7.3145","0.0002","14.2903","0.0003","25.1512","0.0006","90","","90","","90","","2628.96","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>- benzimidazol-2(3<i>H</i>)-one‒6-chloro-1-[(<i>E</i>)- 3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one (4/1)","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C104 H112 Cl8 N24 O16 -","8","1","XU5248","Dardouri, Rachida; Rodi, Yousef Kandri; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","5-Chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one‒6-chloro-1-[(<i>E</i>)-3-(dimethylamino)acryloyl]-3-methyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one (4/1)","Acta Crystallographica Section E","2011","67","7","o1853","","10.1107/S1600536811024706","","","0.71073","MoKα","","0.0854","0.0669","","","0.1923","0.2041","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230985","8.182","0.002","10.549","0.004","34.179","0.009","90","","90","","90","","2950.1","1.5","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Propane-1,3-diyl)bis(2<i>H</i>-indazole)","","- C17 H16 N4 -","- C17 H16 N4 -","- C136 H128 N32 -","8","1","AA2015","Ovalle, Saúl; Bernès, Sylvain; Pérez Rodríguez, Nancy; Elizondo Martínez, Perla","2,2'-(Propane-1,3-diyl)bis(2<i>H</i>-indazole)","Acta Crystallographica Section E","2011","67","8","o2144","","10.1107/S1600536811029011","","","0.71073","MoKα","","0.0894","0.0488","","","0.119","0.1619","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230994","12.491","0.005","12.155","0.005","14.466","0.005","90","","90","","90","","2196.3","1.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","gamma-fagarine","4,8-Dimethoxyfuro[2,3-b]quinoline","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","BH2360","Liu, Yong; Wei, Kou; Yang, Jianshe","4,8-Dimethoxyfuro[2,3-<i>b</i>]quinoline (γ-fagarine)","Acta Crystallographica Section E","2011","67","8","o1907","","10.1107/S1600536811025062","","","0.71073","MoKα","","0.0828","0.0444","","","0.1032","0.1285","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231005","13.3367","0.0006","12.6292","0.0005","17.123","0.0006","90","","90","","90","","2884.1","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one","","- C15 H12 Br N O2 S -","- C15 H12 Br N O2 S -","- C120 H96 Br8 N8 O16 S8 -","8","1","BT5562","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","2-(4-Bromophenyl)-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2011","67","8","o1902","","10.1107/S1600536811025281","","","0.71073","MoKα","","0.079","0.038","","","0.0767","0.0873","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231012","12.884","0.002","7.173","0.001","20.805","0.003","90","","90","","90","","1922.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorophenyl)succinimide","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C80 H64 Cl8 N8 O16 -","8","1","BT5570","Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Chlorophenyl)succinimide","Acta Crystallographica Section E","2011","67","8","o1977","","10.1107/S1600536811026845","","","0.71073","MoKα","","0.1335","0.0816","","","0.1213","0.1368","","","","","","1.326","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231014","9.8053","0.001","18.87","0.002","23.584","0.003","90","","90","","90","","4363.7","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol","","- C24 H35 N O2 -","- C24 H35 N O2 -","- C192 H280 N8 O16 -","8","1","BT5572","Asgarova, Ayten R.; Allahverdiyev, Mirze A.; Khalilov, Ali. N.; Gurbanov, Atash V.; Brito, Iván","4-[3-(Benzylamino)-2-hydroxypropyl]-2,6-di-<i>tert</i>-butylphenol","Acta Crystallographica Section E","2011","67","8","o2024","","10.1107/S1600536811027115","","","0.71073","MoKα","","0.1169","0.0907","","","0.2224","0.2425","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231056","7.199","0.007","11.792","0.011","28.77","0.03","90","","90","","90","","2442","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis{2-[4-(4-pyridyl)pyrimidin-2-ylsulfanyl]acetato}zinc","","- C22 H24 N6 O8 S2 Zn -","- C22 H24 N6 O8 S2 Zn -","- C88 H96 N24 O32 S8 Zn4 -","4","0.5","CV5136","Zhu, Hai-Bin; Lu, Xin","Tetraaquabis{2-[4-(4-pyridyl)pyrimidin-2-ylsulfanyl]acetato}zinc","Acta Crystallographica Section E","2011","67","8","m1169","","10.1107/S160053681102993X","","","0.71073","MoKα","","0.0499","0.0325","","","0.0787","0.0857","","","","","","1.017","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2231065","21.99","0.002","10.047","0.0008","26.408","0.002","90","","90","","90","","5834.4","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C224 H224 Cl16 N16 O32 S16 -","16","2","DS2123","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(3,5-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","8","o2102","","10.1107/S1600536811028819","","","0.71073","MoKα","","0.2105","0.1281","","","0.302","0.3447","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231085","10.168","0.0017","12.133","0.002","26.079","0.004","90","","90","","90","","3217.3","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide","","- C20 H16 Fe N2 O -","- C20 H16 Fe N2 O -","- C160 H128 Fe8 N16 O8 -","8","1","FJ2441","Li, Xia; Du, Ling-Zhi","<i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide","Acta Crystallographica Section E","2011","67","8","m1113","","10.1107/S1600536811026341","","","0.71073","MoKα","","0.0497","0.0344","","","0.0857","0.0968","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231089","13.062","0.002","15.71","0.003","19.798","0.003","90","","90","","90","","4062.6","1.2","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[4-(4-Methylphenylsulfonyl)piperazin-1-yl]-1-(4,5,6,7- tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","","- C20 H25 N3 O3 S2 -","- C20 H25 N3 O3 S2 -","- C160 H200 N24 O24 S16 -","8","1","FL2350","Niu, Duan; Huang, Shu-Yun; Wang, Ping-Bao; Liu, Deng-Ke","2-[4-(4-Methylphenylsulfonyl)piperazin-1-yl]-1-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-5-yl)ethanone","Acta Crystallographica Section E","2011","67","8","o2134","","10.1107/S1600536811028716","","","0.71073","MoKα","","0.0603","0.0537","","","0.1381","0.1433","","","","","","1.138","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231095","13.347","0.003","14.187","0.003","14.408","0.003","90","","90","","90","","2728.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,2-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","","- C8 H18 Cl4 Cu N2 -","- C8 H18 Cl4 Cu N2 -","- C64 H144 Cl32 Cu8 N16 -","8","1","GK2387","Rong, Tao","1,2-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","8","m1016","","10.1107/S1600536811025347","","","0.71073","MoKα","","0.0677","0.0504","","","0.1149","0.1225","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231130","7.735","0.005","11.324","0.005","23.236","0.01","90","","90","","90","","2035.3","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)acrylate","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)prop-2-enoate","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","HB5951","Hou, Rui-Bin; Li, Dong-Feng","(<i>E</i>)-Methyl 3-(1<i>H</i>-indol-2-yl)acrylate","Acta Crystallographica Section E","2011","67","8","o2197","","10.1107/S1600536811030121","","","0.71073","MoKα","","0.0808","0.0492","","","0.1182","0.1332","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231158","10.5071","0.0007","8.4023","0.0005","32.6662","0.0019","90","","90","","90","","2883.9","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C136 H136 N8 O24 -","8","1","IM2301","Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.","3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole","Acta Crystallographica Section E","2011","67","8","o1975","o1976","10.1107/S1600536811026833","","","0.71073","MoKα","","0.1364","0.0745","","","0.1319","0.1559","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231177","13.974","0.006","11.935","0.005","34.494","0.014","90","","90","","90","","5753","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>- carbazole","","- C30 H35 B2 N O4 -","- C30 H35 B2 N O4 -","- C240 H280 B16 N8 O32 -","8","1","JH2305","Wu, Weibing; Tang, Jinan","9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2011","67","8","o1919","","10.1107/S1600536811025645","","","0.71073","MoKα","","0.1141","0.0933","","","0.2256","0.2416","","","","","","1.155","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231190","11.0976","0.0011","10.4422","0.0009","23.9903","0.0017","90","","90","","90","","2780.1","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-3-pyridylmethylidene]-2-naphthohydrazide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C136 H104 N24 O16 -","8","1","KP2338","Li, Chuan; Zhang, Xiuyun; Wu, Qingkun; Yin, Handong","3-Hydroxy-<i>N</i>'-[(<i>E</i>)-3-pyridylmethylidene]-2-naphthohydrazide","Acta Crystallographica Section E","2011","67","8","o1912","","10.1107/S1600536811025591","","","0.71073","MoKα","","0.087","0.0389","","","0.0817","0.1093","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231216","18.269","0.005","27.564","0.007","18.115","0.005","90","","90","","90","","9122","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","","- C26 H26 N4 O S -","- C26 H26 N4 O S -","- C416 H416 N64 O16 S16 -","16","2","LH5288","Chen, Hong","7-Benzyl-2-[(cyclopropylmethyl)amino]-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2191","","10.1107/S1600536811029771","","","0.71073","MoKα","","0.0817","0.0584","","","0.1396","0.1574","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231257","11.9","0.002","9.1978","0.0015","14.521","0.003","90","","90","","90","","1589.4","0.5","123.1","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Diazonaphthalen-2(1<i>H</i>)-one","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C80 H48 N16 O8 -","8","1","PV2420","Kitamura, Mitsuru; Sakata, Rie; Matsumoto, Taisuke","1-Diazonaphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1951","","10.1107/S1600536811026377","","","1.54187","CuKα","","","0.0438","","","","0.1192","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231314","16.065","0.003","7.946","0.002","24.534","0.003","90","","90","","90","","3131.8","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Dimethylamino-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C136 H152 N24 O16 -","8","1","SU2286","Su, Fu; Gu, Zheng-Gui; Lin, Jun","4-Dimethylamino-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","8","o1896","","10.1107/S1600536811025220","","","0.71073","MoKα","","0.1257","0.0637","","","0.1206","0.14","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231372","12.4231","0.0008","7.8464","0.0005","15.9801","0.001","90","","90","","90","","1557.69","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl(phenyl)phosphinic acid","","- C7 H9 O2 P -","- C7 H9 O2 P -","- C56 H72 O16 P8 -","8","1","ZB2012","Burrow, Robert A.; Siqueira da Silva, Rubia M.","Methyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2011","67","8","o2005","","10.1107/S1600536811025530","","","0.71073","MoKα","","0.0905","0.0521","","","0.1241","0.1449","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231444","10.9068","0.0003","7.9851","0.0002","30.2131","0.0007","90","","90","","90","","2631.32","0.12","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","","- C17 H14 O2 -","- C17 H14 O2 -","- C136 H112 O16 -","8","1","BX2361","Silva, W. A.; Gatto, C. C.; Oliveira, G. R.","(2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2011","67","9","o2210","","10.1107/S160053681103025X","","","0.71073","MoKα","","0.1072","0.0501","","","0.11","0.134","","","","","","1.005","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2231477","16.2029","0.0005","7.8648","0.0004","22.8422","0.0008","90","","90","","90","","2910.8","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,3-dibenzoylbenzene","(3-Benzoylphenyl)(phenyl)methanone","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","1","FY2021","Raza Ahsraf, Ahmed; Akhter, Zareen; Bolte, Michael","(3-Benzoylphenyl)(phenyl)methanone","Acta Crystallographica Section E","2011","67","9","o2432","","10.1107/S1600536811033344","","","0.71073","MoKα","","0.0465","0.0374","","","0.097","0.1014","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231490","9.63","0.002","8.4322","0.0018","29.848","0.007","90","","90","","90","","2423.7","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C112 H144 N16 O8 -","8","1","HB6338","Guo, Huan-Mei","7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one","Acta Crystallographica Section E","2011","67","9","o2517","","10.1107/S1600536811034301","","","0.71073","MoKα","","0.067","0.0592","","","0.1158","0.12","","","","","","1.162","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231539","11.8908","0.0003","7.1807","0.0001","28.3004","0.0006","90","","90","","90","","2416.41","0.09","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(thiophen-3-yl)penta-1,4-dien-3-one","","- C13 H10 O S2 -","- C13 H10 O S2 -","- C104 H80 O8 S16 -","8","1","HG5079","Shalini, S.; Girija, C. R.; Jotani, Mukesh M.; Rajashekhar, B.; Rao, Nageswar; Tiekink, Edward R. T.","(1<i>E</i>,4<i>E</i>)-1,5-Bis(thiophen-3-yl)penta-1,4-dien-3-one","Acta Crystallographica Section E","2011","67","9","o2354","","10.1107/S160053681103248X","","","0.71073","MoKα","","0.0544","0.0399","","","0.1044","0.1212","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231585","13.542","0.003","6.1544","0.0015","27.62","0.007","90","","90","","90","","2301.9","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline","","- C13 H11 Br N2 -","- C13 H11 Br N2 -","- C104 H88 Br8 N16 -","8","1","LD2022","Cai, Mingjian; Ma, Penggao; Wang, Xiuge; Sun, Tao","(<i>E</i>)-<i>N</i>-[(6-Bromopyridin-2-yl)methylidene]-4-methylaniline","Acta Crystallographica Section E","2011","67","9","o2335","","10.1107/S1600536811031825","","","0.71073","MoKα","","0.0517","0.0396","","","0.0972","0.1044","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231606","9.3359","0.0019","11.105","0.002","22.426","0.005","90","","90","","90","","2325","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)morpholine-4-carboxamide","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C88 H104 Cl8 N16 O16 -","8","1","LH5309","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)morpholine-4-carboxamide","Acta Crystallographica Section E","2011","67","9","o2492","","10.1107/S1600536811034611","","","0.71073","MoKα","","0.0555","0.0444","","","0.1162","0.1242","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231611","7.4348","0.0006","14.0589","0.0011","15.6401","0.0016","90","","90","","90","","1634.8","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Spiro[cyclopropane-1,3'-indolin]-2'-one","","- C10 H9 N O -","- C10 H9 N O -","- C80 H72 N8 O8 -","8","1","LH5317","Yuan, Maosen; Wang, Qi; Zhang, Yuejun; Wang, Junru","Spiro[cyclopropane-1,3'-indolin]-2'-one","Acta Crystallographica Section E","2011","67","9","o2456","","10.1107/S1600536811034167","","","0.71073","MoKα","","0.0612","0.0354","","","0.0831","0.1064","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231635","17.0231","0.0004","12.62","0.0003","25.5527","0.0006","90","","90","","90","","5489.5","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>cis</i>-[1,2-Bis(diphenylarsanyl)ethane- κ^2^<i>As</i>,<i>As</i>']tetracarbonylchromium(0)","","- C30 H24 As2 Cr O4 -","- C30 H24 As2 Cr O4 -","- C240 H192 As16 Cr8 O32 -","8","1","NG5210","Norlidah, M. N.; Azhar, M. Y.; Bin Shawkataly, Omar; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","<i>cis</i>-[1,2-Bis(diphenylarsanyl)ethane-κ^2^<i>As</i>,<i>As</i>']tetracarbonylchromium(0)","Acta Crystallographica Section E","2011","67","9","m1267","m1268","10.1107/S1600536811032314","","","0.71073","MoKα","","0.0443","0.0279","","","0.0581","0.0645","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231662","16.6512","0.0011","11.2056","0.0007","17.9966","0.0011","90","","90","","90","","3357.9","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichlorido[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4- triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)","","- C15 H14 Cl2 Cu N4 O -","- C15 H14 Cl2 Cu N4 O -","- C120 H112 Cl16 Cu8 N32 O8 -","8","1","PV2432","Cao, Shouping; Wang, Zuoxiang; Jin, Xiaofei","Dichlorido[3-methoxymethyl-4-phenyl-5-(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)","Acta Crystallographica Section E","2011","67","9","m1273","","10.1107/S160053681103296X","","","0.71073","MoKα","","0.0493","0.0294","","","0.0627","0.0683","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231682","11.0337","0.0004","12.1424","0.0004","23.2234","0.0009","90","","90","","90","","3111.37","0.19","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Azidomethyl-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","","- C16 H14 N4 O2 S -","- C16 H14 N4 O2 S -","- C128 H112 N32 O16 S8 -","8","1","RK2287","Karthikeyan, S.; Sethusankar, K.; Rajeswaran, Ganesan Gobi; Mohanakrishnan, Arasambattu K.","2-Azidomethyl-3-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2011","67","9","o2245","o2246","10.1107/S1600536811030601","","","0.71073","MoKα","","0.0791","0.0473","","","0.1415","0.1658","","","","","","0.988","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231693","11.3634","0.0004","14.9962","0.0006","17.2328","0.0007","90","","90","","90","","2936.6","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}","","- C24 H20 Cl4 Hg2 N12 -","- C24 H20 Cl4 Hg2 N12 -","- C96 H80 Cl16 Hg8 N48 -","4","0.5","SU2294","Guo, Jian; Tang, Min; Chen, Jing; Li, Cheng-Peng","Di-μ-chlorido-bis{[4-amino-3,5-bis(2-pyridyl)-4<i>H</i>-1,2,4-triazole-κ<i>N</i>^1^]chloridomercury(II)}","Acta Crystallographica Section E","2011","67","9","m1180","","10.1107/S1600536811029886","","","0.71073","MoKα","","0.0335","0.0224","","","0.0523","0.0583","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231761","9.906","0.003","10.542","0.005","22.87","0.005","90","","90","","90","","2388.3","1.4","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]benzohydrazide","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","XU6116","Shan, Shang; Huang, Yan-Lan; Guo, Han-Qi; Li, Deng-Feng; Sun, Jian","(<i>E</i>)-<i>N</i>'-[1-(Thiophen-2-yl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2011","67","9","o2498","","10.1107/S1600536811033101","","","0.71073","MoKα","","0.067","0.0408","","","0.0919","0.1008","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231911","9.7449","0.0003","10.1063","0.0003","22.8803","0.0007","90","","90","","90","","2253.36","0.12","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide","","- C10 H11 Br Cl N O -","- C10 H11 Br Cl N O -","- C80 H88 Br8 Cl8 N8 O8 -","8","1","HG5088","Moreno-Fuquen, Rodolfo; Quintero, David E.; Zuluaga, Fabio; Kennedy, Alan R.; De Almeida Santos, Regina H.","2-Bromo-<i>N</i>-(4-chlorophenyl)-2-methylpropanamide","Acta Crystallographica Section E","2011","67","10","o2580","","10.1107/S1600536811035562","","","0.71073","MoKα","","0.0436","0.0317","","","0.0654","0.0693","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231980","9.5546","0.0019","10.91","0.002","26.477","0.005","90","","90","","90","","2760","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide","","- C13 H18 Cl N3 O -","- C13 H18 Cl N3 O -","- C104 H144 Cl8 N24 O8 -","8","1","LH5326","Li, Yu-Feng","<i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide","Acta Crystallographica Section E","2011","67","10","o2574","","10.1107/S1600536811035331","","","0.71073","MoKα","","0.1117","0.0607","","","0.1502","0.1869","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232030","11.1223","0.0002","12.018","0.0003","16.0461","0.0005","90","","90","","90","","2144.85","0.09","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)trichlorido- (urea-κ<i>O</i>)tin(IV)","","- C4 H10 Cl3 N3 O2 Sn -","- C4 H10 Cl3 N3 O2 Sn -","- C32 H80 Cl24 N24 O16 Sn8 -","8","1","QM2029","Howie, R. Alan; de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","<i>fac</i>-(2-Amidoethyl-κ^2^<i>C</i>^1^,<i>O</i>)trichlorido(urea-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2011","67","10","m1420","m1421","10.1107/S1600536811038281","","","0.71073","MoKα","","0.0258","0.0222","","","0.0483","0.0505","","","","","","1.103","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232067","9.1561","0.0009","20.6965","0.0016","28.482","0.002","90","","90","","90","","5397.3","0.8","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","","- C27 H38 Mo N4 O4 -","- C27 H38 Mo N4 O4 -","- C216 H304 Mo8 N32 O32 -","8","1","TK2784","Kargar, Hadi; Kia, Reza","{5,5'-Bis(diethylamino)-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}dioxidomolybdenum(VI)","Acta Crystallographica Section E","2011","67","10","m1348","","10.1107/S1600536811035069","","","0.71073","MoKα","","0.1191","0.0412","","","0.0701","0.0853","","","","","","0.804","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232186","8.027","0.003","13.582","0.005","19.591","0.007","90","","90","","90","","2135.9","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[(triaquacadmium)-μ-5-hydroxyisophthalato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","","- C8 H10 Cd O8 -","- C8 H10 Cd O8 -","- C64 H80 Cd8 O64 -","8","1","BT5673","Wei, Xiao-Hong; Zhao, Jun","<i>catena</i>-Poly[(triaquacadmium)-μ-5-hydroxyisophthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^]","Acta Crystallographica Section E","2011","67","11","m1560","","10.1107/S160053681104236X","","","0.71073","MoKα","","0.0245","0.0234","","","0.0618","0.063","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232189","10.7711","0.0009","7.8736","0.0007","31.61","0.003","90","","90","","90","","2680.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(<i>Z</i>)-Benzylidene]-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H13 N O S -","- C16 H13 N O S -","- C128 H104 N8 O8 S8 -","8","1","BT5678","Sabari, V.; Jagadeesan, G.; Selvakumar, Raman; Bakthadoss, Mannickam; Aravindhan, S.","3-[(<i>Z</i>)-Benzylidene]-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3061","","10.1107/S1600536811042991","","","0.71073","MoKα","","0.0512","0.0387","","","0.1047","0.1119","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232227","8.0268","0.0008","8.1242","0.0007","23.7912","0.0019","90","","90","","90","","1551.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-nitroanilinium bromide","2-Nitroanilinium bromide","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C48 H56 Br8 N16 O16 -","8","1","FF2032","Anitha, R.; Athimoolam, S.; Bahadur, S. Asath; Gunasekaran, M.","2-Nitroanilinium bromide","Acta Crystallographica Section E","2011","67","11","o3035","","10.1107/S1600536811041948","","","0.71073","MoKα","","0.0408","0.0307","","","0.0735","0.0763","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232243","8.6291","0.0003","27.5913","0.0014","11.7246","0.0005","90","","90","","90","","2791.5","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[2-(Cyclohexa-1,4-dien-1-yl)ethoxy]benzene-1,2-dicarbonitrile","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","FK2042","Keleşoğlu, Zeynep; Çelenk Kaya, Elif; Kaya, Afşin Ahmet; Kantekin, Halit; Büyükgüngör, Orhan","4-[2-(Cyclohexa-1,4-dien-1-yl)ethoxy]benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2011","67","11","o2989","","10.1107/S1600536811042164","","","0.71073","MoKα","","0.0788","0.0497","","","0.1239","0.1387","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232250","15.49","0.003","15.252","0.003","19.951","0.004","90","","90","","90","","4713.5","1.6","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3- dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate","","- C21 H28 Cl2 Cu2 N2 O7 -","- C21 H28 Cl2 Cu2 N2 O7 -","- C168 H224 Cl16 Cu16 N16 O56 -","8","1","GK2407","Li, Yong","Di-μ-chlorido-bis[(2-{(<i>E</i>)-[(2,3-dihydroxypropyl)imino]methyl}phenolato)copper(II)] methanol monosolvate","Acta Crystallographica Section E","2011","67","11","m1539","","10.1107/S1600536811041481","","","0.71073","MoKα","","0.0487","0.0411","","","0.088","0.0915","","","","","","1.07","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232289","14.4623","0.0008","10.9202","0.0006","19.5592","0.001","90","","90","","90","","3089","0.3","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","HB6444","Horkaew, Jirapa; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(3,4,5-trimethoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","11","o2985","","10.1107/S1600536811041535","","","0.71073","MoKα","","0.0481","0.0391","","","0.102","0.1093","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232297","10.484","0.003","11.26","0.003","20.033","0.006","90","","90","","90","","2364.9","1.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3-diaminopyridinium salicylate","2,3-Diaminopyridinium 2-hydroxybenzoate","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","HB6455","Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun","2,3-Diaminopyridinium 2-hydroxybenzoate","Acta Crystallographica Section E","2011","67","11","o3121","","10.1107/S1600536811044461","","","0.71073","MoKα","","0.0984","0.0499","","","0.117","0.1438","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232308","14.4725","0.0011","6.7744","0.0005","31.31","0.002","90","","90","","90","","3069.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one","","- C16 H12 Br N3 O4 -","- C16 H12 Br N3 O4 -","- C128 H96 Br8 N24 O32 -","8","1","HB6467","Xiao, Zhu-Ping; Yi, Li-Cheng; Li, Jia-Liang; Zhang, Bo; Liao, Mei-Ling","3-(4-Bromophenyl)-4-[2-(4-nitrophenyl)hydrazinyl]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","11","o3086","","10.1107/S1600536811043947","","","0.71073","MoKα","","0.0656","0.0361","","","0.0839","0.0958","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232325","7.2818","0.0018","11.977","0.002","25.362","0.005","90","","90","","90","","2211.9","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-nitro-2-(p-tolyloxy)pyridine","2-(4-Methylphenoxy)-5-nitropyridine","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C96 H80 N16 O24 -","8","1","HG5116","Nasir, Shah Bakhtiar; Fairuz, Zainal Abidin; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methylphenoxy)-5-nitropyridine","Acta Crystallographica Section E","2011","67","11","o3077","","10.1107/S1600536811044047","","","0.71073","MoKα","","0.0972","0.0474","","","0.1172","0.1466","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232351","10.428","0.0005","13.4075","0.0006","21.5565","0.0008","90","","90","","90","","3013.9","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Hydroxyphenyl)-3,4,5-trimethoxybenzamide","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C128 H136 N8 O40 -","8","1","IS2785","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","<i>N</i>-(4-Hydroxyphenyl)-3,4,5-trimethoxybenzamide","Acta Crystallographica Section E","2011","67","11","o2865","","10.1107/S1600536811040554","","","0.71073","MoKα","","0.0857","0.0542","","","","0.1335","","","","","","0.968","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232352","12.6837","0.0011","9.4047","0.0011","25.641","0.003","90","","90","","90","","3058.6","0.6","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Bromophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C144 H112 Br8 N8 O8 -","8","1","IS2786","Fun, Hoong-Kun; Quah, Ching Kheng; Narayana, B.; Nayak, Prakash S.; Sarojini, B. K.","<i>N</i>-(4-Bromophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2011","67","11","o2926","o2927","10.1107/S1600536811041110","","","0.71073","MoKα","","0.0876","0.0513","","","0.1489","0.182","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232355","6.849","0.0001","15.0815","0.0002","17.8519","0.0003","90","","90","","90","","1843.98","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone","1-(2-{4-[(2-Acetylphenoxy)methyl]benzyloxy}phenyl)ethanone","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","0.5","IS2792","Al-Mohammed, Nassir N. N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid","1,1'-{2,2'-[1,4-Phenylenebis(methylene)]bis(oxy)bis(2,1-phenylene)}diethanone","Acta Crystallographica Section E","2011","67","11","o3016","","10.1107/S1600536811042528","","","0.71073","MoKα","","0.0428","0.035","","","0.0946","0.0999","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232360","7.4463","0.0006","15.0032","0.0014","35.975","0.002","90","","90","","90","","4019.1","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Carboxy-2-(2-cyclopropylamino-4-methylpyridinium-3-ylamino)pyridinium dinitrate dihydrate","","- C15 H22 N6 O10 -","- C15 H22 N6 O10 -","- C120 H176 N48 O80 -","8","1","JH2324","Dong, Qiong; Jin, Shouwen; Tong, Kai; He, Haidong; Yu, YuanQi","3-Carboxy-2-(2-cyclopropylamino-4-methylpyridinium-3-ylamino)pyridinium dinitrate dihydrate","Acta Crystallographica Section E","2011","67","11","o2864","","10.1107/S1600536811040323","","","0.71073","MoKα","","0.1293","0.084","","","0.2638","0.2947","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232378","10.0207","0.0002","15.6475","0.0002","20.3837","0.0004","90","","90","","90","","3196.14","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2- dicarboxylatoethyl)amino]ethyl}amino)butanedioate]cobaltate(III)sodium] dihydrate]","","- C20 H40 Co2 N4 Na2 O24 -","- C20 H40 Co2 N4 Na2 O24 -","- C80 H160 Co8 N16 Na8 O96 -","4","0.5","LH5329","Trunova, Olena K.; Dudko, Anatolij V.; Makotryk, Tamara O.; Osadcha, Olena V.; Pekhnyo, Vasily I.; Shovkova, Ganna V.","Poly[[diaqua[μ~5~-(<i>R</i>,<i>S</i>)-2-({2-[(1,2-dicarboxylatoethyl)amino]ethyl}amino)butanedioato]cobaltate(III)sodium] dihydrate]","Acta Crystallographica Section E","2011","67","11","m1547","m1548","10.1107/S160053681104013X","","","0.71073","MoKα","","0.0397","0.0293","","","0.0621","0.0649","","","","","","0.967","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2232420","10.5823","0.0004","9.1053","0.0003","16.4163","0.0006","90","","90","","90","","1581.79","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)","","- C16 H18 N4 S2 -","- C16 H18 N4 S2 -","- C64 H72 N16 S8 -","4","0.5","PK2349","Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","1,1'-(Ethane-1,2-diyl)bis(3-phenylthiourea)","Acta Crystallographica Section E","2011","67","11","o2819","","10.1107/S1600536811039936","","","0.71073","MoKα","","0.0712","0.0544","","","0.1207","0.1346","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232427","19.0755","0.001","15.9409","0.0009","37.533","0.002","90","","90","","90","","11413.1","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(perchlorate) sesquihydrate","","- C52 H62 Cl2 Mn N8 O11.5 -","- C52 H62 Cl2 Mn N8 O11.5 -","- C416 H496 Cl16 Mn8 N64 O92 -","8","1","PV2456","Kuai, Hai-Wei; Cheng, Xiao-Chun","Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(perchlorate) sesquihydrate","Acta Crystallographica Section E","2011","67","11","m1543","","10.1107/S1600536811041511","","","0.71073","MoKα","","0.0903","0.0568","","","0.1705","0.1875","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232505","15.6696","0.0014","11.7501","0.0011","15.9042","0.0016","90","","90","","90","","2928.3","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-1-(phenylsulfonyl)propan-2-ol","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C128 H144 O24 S8 -","8","1","XU5336","Shi, Bao-Jun; Huang, Liang-Zhu; Li, You-Qiang; Si, Chang-Mei; Du, Zhen-Ting","2-(4-Methylphenyl)-1-(phenylsulfonyl)propan-2-ol","Acta Crystallographica Section E","2011","67","11","o2845","","10.1107/S1600536811039894","","","0.71073","MoKα","","0.0907","0.0436","","","0.1026","0.1414","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232512","5.323","0.003","12.664","0.006","15.993","0.008","90","","90","","90","","1078.1","1","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-5-nitro-1<i>H</i>-imidazole","","- C4 H5 N3 O2 -","- C4 H5 N3 O2 -","- C32 H40 N24 O16 -","8","1","XU5346","Diao, Ying; Wang, Wen-Yan; Wei, Zhi-Hua; Wang, Jian-Long","1-Methyl-5-nitro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","11","o3072","","10.1107/S1600536811041705","","","0.71073","MoKα","","0.044","0.0359","","","0.084","0.0884","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232522","10.3054","0.0013","9.2376","0.0012","21.892","0.003","90","","90","","90","","2084.1","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate","","- C11 H9 N O5 -","- C11 H9 N O5 -","- C88 H72 N8 O40 -","8","1","YK2020","Zhu, Haifeng; Guo, Miao; Chen, Han; Jin, Haixiao; Liang, Hongze","2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate","Acta Crystallographica Section E","2011","67","11","o2863","","10.1107/S1600536811040566","","","0.71073","MoKα","","0.0494","0.0348","","","0.0746","0.0821","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232524","14.3297","0.0014","15.7428","0.0016","17.1867","0.0016","90","","90","","90","","3877.1","0.7","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2- ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","","- C16 H23 Cl2 N3 O2 Ru S -","- C16 H23 Cl2 N3 O2 Ru S -","- C128 H184 Cl16 N24 O16 Ru8 S8 -","8","1","ZB2017","Cheng, Yong; Hua, Wen-Qian; Zhou, Ying-Hua","[1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2-ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II)","Acta Crystallographica Section E","2011","67","11","m1573","","10.1107/S1600536811042590","","","0.71073","MoKα","","0.0458","0.0395","","","0.1067","0.1098","","","","","","1.06","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2232528","9.6326","0.0003","8.665","0.0002","25.7944","0.0008","90","","90","","90","","2152.97","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Chloro-<i>N</i>-(4-methoxyphenyl)propanamide","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C80 H96 Cl8 N8 O16 -","8","1","ZJ2028","Betz, Richard; Gerber, Thomas; Hosten, Eric; Siddegowda, Maravanahalli S.; Yathirajan, Hemmige S.","3-Chloro-<i>N</i>-(4-methoxyphenyl)propanamide","Acta Crystallographica Section E","2011","67","11","o2868","","10.1107/S1600536811040682","","","0.71073","MoKα","","0.0398","0.0355","","","0.0919","0.0955","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232543","16.295","0.005","16.295","0.005","28.946","0.005","90","","90","","90","","7686","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~- benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate]","","- C34 H43 N O13.25 Zn3 -","- C34 H43 N O13.25 Zn3 -","- C272 H344 N8 O106 Zn24 -","8","1","ZS2153","Zhu, Xiao-Hong; Cheng, Xiao-Chun","Poly[tetra-<i>n</i>-butylammonium [(μ~5~-benzene-1,3,5-tricarboxylato)(μ~4~-benzene-1,3,5-tricarboxylato)-μ~3~-hydroxido-trizincate] 0.25-hydrate]","Acta Crystallographica Section E","2011","67","11","m1641","","10.1107/S1600536811044485","","","0.71073","MoKα","","0.0642","0.0372","","","0.0934","0.0985","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232561","10.5307","0.0002","17.9659","0.0004","22.429","0.0005","90","","90","","90","","4243.42","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[2-(4-aminophenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium] dichloride hydrate","","- C9 H13 Cl N3 O0.5 -","- C9 H13 Cl N3 O0.5 -","- C144 H208 Cl16 N48 O8 -","16","2","BQ2316","Molčanov, Krešimir; Stolić, Ivana; Kojić-Prodić, Biserka; Bajić, Miroslav","Bis[2-(4-aminophenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium] dichloride monohydrate","Acta Crystallographica Section E","2011","67","12","o3450","o3451","10.1107/S1600536811050070","","","1.54184","CuKα","","","0.045","","","","0.1164","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232562","12.131","0.0011","7.399","0.0007","25.466","0.002","90","","90","","90","","2285.8","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid","","- C11 H10 Cl N O3 -","- C11 H10 Cl N O3 -","- C88 H80 Cl8 N8 O24 -","8","1","BQ2317","Shakuntala, K.; Vrábel, Viktor; Gowda, B. Thimme; Kožíšek, Jozef","<i>N</i>-(4-Chloro-2-methylphenyl)maleamic acid","Acta Crystallographica Section E","2011","67","12","o3317","","10.1107/S1600536811047817","","","0.71073","MoKα","","0.0375","0.033","","","0.0859","0.0893","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232580","9.9727","0.0019","12.174","0.002","18.558","0.003","90","","90","","90","","2253.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-bromotertiarybutylsalicylidene-2-aminopyridine","3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde","","- C11 H13 Br O2 -","- C11 H13 Br O2 -","- C88 H104 Br8 O16 -","8","1","BT5688","Balasubramani, V.; Vinuchakkaravarthy, T.; Gopi, Sreeraj; Narasimhan, S.; Velmurugan, D.","3-Bromo-5-<i>tert</i>-butyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2011","67","12","o3375","","10.1107/S1600536811048847","","","0.71073","MoKα","","0.1268","0.056","","","0.1311","0.1623","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232622","8.0867","0.0001","15.3271","0.0003","20.3369","0.0004","90","","90","","90","","2520.67","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde","","- C15 H13 N O S -","- C15 H13 N O S -","- C120 H104 N8 O8 S8 -","8","1","CV5184","Yu, Dao-Hui; Wang, Jian-Qing; Kong, Lin; Liu, Zhao-di","10-Ethyl-10<i>H</i>-phenothiazine-3-carbaldehyde","Acta Crystallographica Section E","2011","67","12","o3344","","10.1107/S1600536811047799","","","0.71073","MoKα","","0.0477","0.0408","","","0.1019","0.1086","","","","","","1.076","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232632","9.7329","0.0005","18.6106","0.0009","24.6522","0.0012","90","","90","","90","","4465.4","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2- en-1-one)","","- C27 H26 O4 -","- C27 H26 O4 -","- C216 H208 O32 -","8","1","CV5195","Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Cha, Joo Hwan; Sato, Hiroyasu","2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2-en-1-one)","Acta Crystallographica Section E","2011","67","12","o3407","","10.1107/S1600536811048355","","","0.71075","MoKα","","","0.0653","","","","0.2305","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232692","12.9024","0.0005","10.0095","0.0004","20.8585","0.0011","90","","90","","90","","2693.8","0.2","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Diethyl-3-(4-methoxybenzoyl)thiourea","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C104 H144 N16 O16 S8 -","8","1","GK2435","Al-abbasi, Aisha A.; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","1,1-Diethyl-3-(4-methoxybenzoyl)thiourea","Acta Crystallographica Section E","2011","67","12","o3414","","10.1107/S1600536811049208","","","1.54178","CuKα","","0.0484","0.0416","","","0.1165","0.1323","","","","","","1.116","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232699","17.822","0.006","12.995","0.006","22.381","0.007","90","","90","","90","","5183","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11- tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate","","- C20 H43 Cl N4 O6 Zn -","- C20 H43 Cl N4 O6 Zn -","- C160 H344 Cl8 N32 O48 Zn8 -","8","1","HB6470","Roy, Tapashi G.; Hazari, Saroj K. S.; Barua, Kanak K.; Tiekink, Edward R. T.","(Acetato-κ<i>O</i>)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc perchlorate","Acta Crystallographica Section E","2011","67","12","m1659","m1660","10.1107/S1600536811045582","","","0.71073","MoKα","","0.0896","0.0804","","","0.1783","0.1832","","","","","","1.289","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2232720","16.1044","0.0012","8.2099","0.0005","19.0303","0.0013","90","","90","","90","","2516.1","0.3","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","1,3-diisopropyl-naphthalene","1,3-Bis(propan-2-yl)naphthalene","","- C16 H20 -","- C16 H20 -","- C128 H160 -","8","1","HB6496","Schröder, Bernd; Gomes, Ligia Rebelo; Low, John Nicolson","1,3-Bis(propan-2-yl)naphthalene","Acta Crystallographica Section E","2011","67","12","o3334","","10.1107/S1600536811047854","","","0.71073","MoKα","","0.0581","0.0455","","","0.1004","0.1075","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232731","16.8923","0.0007","8.0793","0.0006","23.6427","0.0017","90","","90","","90","","3226.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 Br O4 S -","- C16 H15 Br O4 S -","- C128 H120 Br8 O32 S8 -","8","1","HB6511","Vepuri, Suresh B.; Devarajegowda, H. C.; Al-eryani, Waleed Fadl Ali; Lavanya, K.; Anbazhagan, S.","(<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","12","o3474","","10.1107/S1600536811049294","","","0.71073","MoKα","","0.0733","0.0415","","","0.0641","0.0737","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232744","12.138","0.002","8.058","0.0016","29.32","0.003","90","","90","","90","","2867.7","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Methoxybenzylidene)-4-methylbenzohydrazide","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","HB6527","Liu, Zeng-Xin","<i>N</i>'-(4-Methoxybenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2011","67","12","o3438","","10.1107/S1600536811049932","","","0.71073","MoKα","","0.1865","0.0823","","","0.1668","0.2118","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232777","14.8307","0.0002","12.1463","0.0002","19.8806","0.0003","90","","90","","90","","3581.25","0.09","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane- 1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","","- C12 H11 Fe2 N2 O5 P S2 -","- C12 H11 Fe2 N2 O5 P S2 -","- C96 H88 Fe16 N16 O40 P8 S16 -","8","1","HY2484","Gao, Shang; An, Chun-Ai; Duan, Qian; Jiang, Da-Yong","Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-(μ-pyrazine-2,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>')(trimethylphosphane-1κ<i>P</i>)diiron(I)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2011","67","12","m1750","","10.1107/S1600536811046770","","","0.71073","MoKα","","0.057","0.0336","","","0.064","0.0702","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232800","8.8859","0.0018","14.36","0.003","25.121","0.005","90","","90","","90","","3205.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^- diphenylpyrimidine-4,5,6-triamine","","- C18 H19 N5 -","- C18 H19 N5 -","- C144 H152 N40 -","8","1","IS2800","Shi, Fuqiang; Zhu, Li-Hong; Mu, Li; Zhang, Long; Li, Ya-Feng","<i>N</i>^4^,<i>N</i>^6^-Dimethyl-<i>N</i>^4^,<i>N</i>^6^-diphenylpyrimidine-4,5,6-triamine","Acta Crystallographica Section E","2011","67","12","o3249","","10.1107/S1600536811046642","","","0.71073","MoKα","","0.1027","0.0524","","","0.1181","0.1367","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232803","8.869","0.003","16.05","0.005","20.925","0.006","90","","90","","90","","2978.6","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","","- C15 H21 N2 O4 -","- C15 H21 N2 O4 -","- C120 H168 N16 O32 -","8","1","IS5006","Jing, Lin-Lin; Ma, Hui-Ping; Fan, Xiao-Fei; He, Lei; Jia, Zheng-Ping","2-[4-(2-Hydroxyethoxy)phenyl]-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 3-oxide","Acta Crystallographica Section E","2011","67","12","o3348","","10.1107/S160053681104815X","","","0.71073","MoKα","","0.074","0.0472","","","0.1357","0.1633","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232817","10.2546","0.0004","8.7643","0.0003","37.5434","0.0013","90","","90","","90","","3374.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-{4-[(4-Oxoquinazolin-3-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}butyl acetate","","- C17 H19 N5 O3 -","- C17 H19 N5 O3 -","- C136 H152 N40 O24 -","8","1","KJ2192","Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; El Azhari, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","4-{4-[(4-Oxoquinazolin-3-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}butyl acetate","Acta Crystallographica Section E","2011","67","12","o3191","","10.1107/S1600536811045600","","","0.71073","MoKα","","0.0629","0.0467","","","0.1223","0.1326","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232822","18.091","0.004","15.245","0.003","19.007","0.004","90","","90","","90","","5242.1","1.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)- 7,8-diphenylglycoluril]dizinc] monohydrate]","","- C24 H28 N4 O15 Zn2 -","- C24 H28 N4 O15 Zn2 -","- C192 H224 N32 O120 Zn16 -","8","1","KP2362","Li, Chuan-Qiang; Qiu, Wen-Ge; He, Hong; Wang, Xiuguang","Poly[[μ-aqua-triaqua[μ~6~-1,3,4,6-tetrakis(carboxylatomethyl)-7,8-diphenylglycoluril]dizinc] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1818","m1819","10.1107/S1600536811049191","","","0.71073","MoKα","","0.0681","0.06","","","0.1453","0.1512","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232827","12.2078","0.001","11.951","0.001","25.326","0.002","90","","90","","90","","3694.9","0.5","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl(pyrazine-1,3-dithiolato- κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","","- C12 H20 Fe N2 O2 P2 S2 -","- C12 H20 Fe N2 O2 P2 S2 -","- C96 H160 Fe8 N16 O16 P16 S16 -","8","1","KP2368","Gao, Shang; Duan, Qian; An, Chun-ai; Jiang, Da-yong","Dicarbonyl(pyrazine-1,3-dithiolato-κ^2^<i>S</i>,<i>S</i>')bis(trimethylphosphane-κ<i>P</i>)iron(II)","Acta Crystallographica Section E","2011","67","12","m1790","","10.1107/S1600536811048574","","","0.71073","MoKα","","0.0348","0.0288","","","0.0696","0.0727","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232844","8.263","0.0008","9.3792","0.0009","33.806","0.003","90","","90","","90","","2620","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(Naphthalen-1-yl)benzamide","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","LH5366","Zhu, Ruitao; Ren, Yuehong; Li, Wenjuan","<i>N</i>-(Naphthalen-1-yl)benzamide","Acta Crystallographica Section E","2011","67","12","o3204","","10.1107/S1600536811045946","","","0.71073","MoKα","","0.1104","0.0559","","","0.1142","0.1288","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232862","14.0108","0.0006","11.7674","0.0007","25.7068","0.0012","90","","90","","90","","4238.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-phenylphosphinato- κ^2^<i>O</i>:<i>O</i>']","","- C24 H21 O2 P Sn -","- C24 H21 O2 P Sn -","- C192 H168 O16 P8 Sn8 -","8","1","MW2028","Diop, Tidiane; Diop, Libasse; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Stoeckli-Evans, Helen","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-phenylphosphinato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2011","67","12","m1674","m1675","10.1107/S1600536811043625","","","0.71073","MoKα","","0.1026","0.0516","","","0.0704","0.0794","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232942","12.311","0.002","8.1229","0.0015","29.956","0.006","90","","90","","90","","2995.6","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-5-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine","","- C15 H12 Cl N3 O2 S -","- C15 H12 Cl N3 O2 S -","- C120 H96 Cl8 N24 O16 S8 -","8","1","RZ2672","Ji, Hao; Xu, Xu-Dong","2-Chloro-5-({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine","Acta Crystallographica Section E","2011","67","12","o3490","","10.1107/S1600536811050410","","","0.71073","MoKα","","0.1257","0.0599","","","0.1207","0.1474","","","","","","0.969","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232969","16.5255","0.0008","14.6588","0.0007","17.0536","0.0008","90","","90","","90","","4131.1","0.3","171","2","171","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Acetonitrile-κ<i>N</i>)chloridobis[2-(pyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C24 H19 Cl Ir N3 -","- C24 H19 Cl Ir N3 -","- C192 H152 Cl8 Ir8 N24 -","8","1","TK5023","Blasberg, Florian; Bats, Jan W.; Wagner, Matthias; Lerner, Hans-Wolfram","(Acetonitrile-κ<i>N</i>)chloridobis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2011","67","12","m1837","m1838","10.1107/S1600536811049373","","","0.71073","MoKα","","0.0424","0.0259","","","0.0374","0.0399","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232982","32.132","0.008","8.361","0.002","34.836","0.009","90","","90","","90","","9359","4","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]","","- C53 H36 Cu5 N11 -","- C53 H36 Cu5 N11 -","- C424 H288 Cu40 N88 -","8","1","VN2020","Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Tan, Rongxin; Liu, Shujuan; Su, Shuangyue","Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]","Acta Crystallographica Section E","2011","67","12","m1706","m1707","10.1107/S1600536811045910","","","0.71073","MoKα","","0.1284","0.0633","","","0.103","0.1235","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233001","12.3604","0.0017","17.341","0.003","21.101","0.003","90","","90","","90","","4522.8","1.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","9-(2,5-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","","- C24 H20 F3 N O5 S -","- C24 H20 F3 N O5 S -","- C192 H160 F24 N8 O40 S8 -","8","1","XU5358","Trzybiński, Damian; Krzymiński, Karol; Błażejowski, Jerzy","9-(2,5-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate","Acta Crystallographica Section E","2011","67","12","o3205","o3206","10.1107/S1600536811045090","","","0.71073","MoKα","","0.137","0.0606","","","0.1484","0.1845","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233059","14","0.003","12.133","0.002","23.832","0.004","90","","90","","90","","4048.2","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile- κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I)","","- C20 H12 Ag N9 O3 -","- C20 H12 Ag N9 O3 -","- C160 H96 Ag8 N72 O24 -","8","1","ZQ2135","Zhang, Fan; Yang, Yong-Li","(Nitrato-κ<i>O</i>)bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^]silver(I)","Acta Crystallographica Section E","2011","67","12","m1863","","10.1107/S1600536811049221","","","0.71073","MoKα","","0.0646","0.0336","","","0.0808","0.099","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233070","11.7737","0.0005","8.1122","0.0003","26.0694","0.001","90","","90","","90","","2489.9","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","","- C15 H10 N2 O S -","- C15 H10 N2 O S -","- C120 H80 N16 O8 S8 -","8","1","ZS2165","Wang, Zhiming; Yu, Bin; Li, Shen; Zou, Caihong; Sun, Xiaoqiang","2-Methyl-12<i>H</i>-benzimidazo[2,1-<i>b</i>][1,3]benzothiazin-12-one","Acta Crystallographica Section E","2011","67","12","o3506","","10.1107/S1600536811050501","","","0.71073","MoKα","","0.0509","0.0386","","","0.0901","0.0974","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233089","16.886","0.003","7.6022","0.0015","18.07","0.004","90","","90","","90","","2319.7","0.8","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","","- C12 H22 Mn2 N2 O18 S2 -","- C12 H22 Mn2 N2 O18 S2 -","- C48 H88 Mn8 N8 O72 S8 -","4","0.5","BQ2328","Rasekh, Hossein Ali; Bahrami, Bohlul","Bis(μ-pyridinium-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[triaqua(sulfato-κ<i>O</i>)manganese(II)]","Acta Crystallographica Section E","2012","68","1","m88","","10.1107/S1600536811054596","","","0.71073","MoKα","","0.0459","0.0278","","","0.0508","0.0753","","","","","","1.264","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233099","5.0148","0.0006","12.864","0.002","46.314","0.005","90","","90","","90","","2987.7","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C112 H112 Cl8 N8 O32 S8 -","8","1","BT5739","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate","Acta Crystallographica Section E","2012","68","1","o46","","10.1107/S1600536811051932","","","0.71073","MoKα","","0.1434","0.1045","","","0.1718","0.185","","","","","","1.352","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233115","13.5","0.01","7.571","0.006","16.738","0.012","90","","90","","90","","1711","2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]- 2,4-dimethylaniline","","- C20 H24 N2 -","- C20 H24 N2 -","- C80 H96 N8 -","4","0.5","CV5204","Yuan, Jianchao; Miao, Chengping; Xu, Weibing; Yuan, Bingnian","(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,4-Dimethylphenylimino)butan-2-ylidene]-2,4-dimethylaniline","Acta Crystallographica Section E","2012","68","1","o164","","10.1107/S1600536811053244","","","0.71073","MoKα","","0.082","0.0516","","","0.1536","0.1746","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233129","11.6158","0.0011","15.9119","0.0016","19.302","0.002","90","","90","","90","","3567.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C152 H136 Cl8 N16 O24 -","8","1","EZ2274","Yang, Xiao-Li","Ethyl 2-{[5-(3-chlorophenyl)-1-phenyl-1<i>H</i>-pyrazol-3-yl]oxy}acetate","Acta Crystallographica Section E","2012","68","1","o123","","10.1107/S1600536811052937","","","0.71073","MoKα","","0.1139","0.0551","","","0.0812","0.0934","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233148","9.689","0.008","7.44","0.006","35.53","0.03","90","","90","","90","","2561","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile","","- C17 H12 N2 -","- C17 H12 N2 -","- C136 H96 N16 -","8","1","GG2065","Ge, Yu-Hua; Wu, Dong-En; Luo, Yang-Hui","3-[(<i>E</i>)-2-Phenylethenyl]-1<i>H</i>-indole-6-carbonitrile","Acta Crystallographica Section E","2012","68","1","o207","","10.1107/S1600536811054225","","","0.71073","MoKα","","0.0514","0.0383","","","0.1066","0.1269","","","","","","1.163","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233160","12.0056","0.0016","19.283","0.003","20.183","0.003","90","","90","","90","","4672.4","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(4-<i>tert</i>-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl- 1<i>H</i>-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C192 H232 N24 O16 -","8","1","HB6506","Yang, Guiqiu; Wang, Yang; Yu, Haibo","(<i>E</i>)-2-(4-<i>tert</i>-Butylphenyl)-2-cyano-1-(3-methyl-1-vinyl-1<i>H</i>-pyrazol-5-yl)vinyl 2,2-dimethylpropanoate","Acta Crystallographica Section E","2012","68","1","o64","","10.1107/S1600536811052007","","","0.71073","MoKα","","0.0719","0.0482","","","0.1303","0.1479","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233166","22.864","0.005","16.6","0.003","13.335","0.003","90","","90","","90","","5061.2","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Benzyl-4-chloroindoline-2,3-dione","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C240 H160 Cl16 N16 O32 -","16","2","HB6540","Wang, De Cai; Leng, Bo Rong; Wang, Gui Bin; Wei, Ping; Ou-yang, Ping Kai","1-Benzyl-4-chloroindoline-2,3-dione","Acta Crystallographica Section E","2012","68","1","o37","","10.1107/S1600536811051816","","","0.71073","MoKα","","0.171","0.0642","","","0.096","0.1173","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233179","7.2934","0.0015","13.065","0.003","17.902","0.004","90","","90","","90","","1705.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-1<i>H</i>-indole-3-carboxylic acid","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C72 H48 Cl8 N8 O16 -","8","1","HB6559","Han, Xue-Lian; Luo, Yang-Hui","5-Chloro-1<i>H</i>-indole-3-carboxylic acid","Acta Crystallographica Section E","2012","68","1","o145","","10.1107/S1600536811053384","","","0.71073","MoKα","","0.0468","0.0374","","","0.0986","0.1038","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233201","20.888","0.004","7.9112","0.0015","25.197","0.005","90","","90","","90","","4163.8","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","","- C16 H12 F I3 N2 Pb -","- C16 H12 F I3 N2 Pb -","- C128 H96 F8 I24 N16 Pb8 -","8","1","IM2337","Zhao, Hai-Rong","<i>catena</i>-Poly[1-[(2-fluorobenzylidene)amino]quinolinium [plumbate(II)-tri-μ-iodido]]","Acta Crystallographica Section E","2012","68","1","m19","","10.1107/S1600536811051853","","","0.71073","MoKα","","0.1488","0.047","","","0.0657","0.0818","","","","","","0.957","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233217","15.8554","0.0002","15.3988","0.0002","16.2292","0.0002","90","","90","","90","","3962.43","0.09","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]- 1<i>H</i>-benzimidazole-5-carboxylate","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C184 H176 N32 O32 -","8","1","IS5032","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Choon, Tan Soo; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul","Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1<i>H</i>-imidazol-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2012","68","1","o247","o248","10.1107/S1600536811054572","","","0.71073","MoKα","","0.0718","0.0508","","","0.1153","0.126","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233250","10.46","0.006","14.434","0.008","19.908","0.012","90","","90","","90","","3006","3","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido- di-μ~2~-iodido-tetracopper(I)","","- C20 H16 Cu4 I4 N4 S4 -","- C20 H16 Cu4 I4 N4 S4 -","- C80 H64 Cu16 I16 N16 S16 -","4","0.5","MW2029","Wang, Yu-Hong; Zhu, Xue-Hua","Bis(μ-di-2-pyridyl disulfide-κ^3^<i>N</i>,<i>S</i>:<i>N</i>')di-μ~3~-iodido-di-μ~2~-iodido-tetracopper(I)","Acta Crystallographica Section E","2012","68","1","m18","","10.1107/S160053681105152X","","","0.71075","MoKα","","0.0601","0.0482","","","0.0823","0.0874","","","","","","1.159","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233272","7.2464","0.0014","14.416","0.003","21.27","0.004","90","","90","","90","","2222","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-nitrobiphenyl","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C104 H88 N8 O24 -","8","1","PV2490","Chao, Xuqiang; Zhang, Xiuqin; Wang, Kai; Ji, Jun; Chen, Qiang","4-Methoxy-3-nitrobiphenyl","Acta Crystallographica Section E","2012","68","1","o114","","10.1107/S1600536811052846","","","0.71073","MoKα","","0.0561","0.0473","","","0.1279","0.134","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233291","8.986","0.007","7.041","0.006","33.68","0.03","90","","90","","90","","2131","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","","- C9 H8 N2 O8 -","- C9 H8 N2 O8 -","- C72 H64 N16 O64 -","8","1","RZ2687","Zhang, You-Ming; Ming, Jian-Jun; Dang, Jian-Peng; Zhang, Wan-Qiang; Wei, Tai-Bao","5-Carboxy-1,3-bis(carboxymethyl)-4-imidazolinium-4-carboxylate","Acta Crystallographica Section E","2012","68","1","o230","","10.1107/S160053681105416X","","","0.71073","MoKα","","0.0581","0.0476","","","0.1035","0.109","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233322","13.1985","0.0008","15.5714","0.0009","18.1926","0.0011","90","","90","","90","","3738.9","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-2,4,6- trimethylisophthalato- κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","","- C21 H18 Cd N2 O4 -","- C21 H18 Cd N2 O4 -","- C168 H144 Cd8 N16 O32 -","8","1","XU5394","Hou, Shao-Gang; Jin, Mei-Fang","Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(μ~3~-2,4,6-trimethylisophthalato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^:<i>O</i>^3^,<i>O</i>^3'^)cadmium]","Acta Crystallographica Section E","2012","68","1","m84","m85","10.1107/S1600536811054183","","","0.71073","MoKα","","0.0983","0.0449","","","0.0813","0.0981","","","","","","0.986","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233330","10.716","0.002","10.057","0.002","36.101","0.007","90","","90","","90","","3890.6","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Methyl-3,5-dinitrobenzamide","","- C8 H7 N3 O5 -","- C8 H7 N3 O5 -","- C128 H112 N48 O80 -","16","2","XU5409","Deng, Gui-Ming; Wang, Chao-Run; Chen, Zhen; Zhang, He-Ming","<i>N</i>-Methyl-3,5-dinitrobenzamide","Acta Crystallographica Section E","2012","68","1","o209","","10.1107/S1600536811053888","","","0.71073","MoKα","","0.1502","0.0669","","","0.1338","0.162","","","","","","0.964","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233342","12.29","0.0002","24.797","0.0006","25.608","0.0006","90","","90","","90","","7804.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2- yl)methyl]benzonitrile","","- C23 H16 N2 O4 S -","- C23 H16 N2 O4 S -","- C368 H256 N32 O64 S16 -","16","2","ZL2435","Sattar, Nazia; Siddiqui, Hamid Latif; Hussain, Tanvir; Aslam, Sana; Parvez, Masood","3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2<i>H</i>-1λ^6^,2-benzothiazin-2-yl)methyl]benzonitrile","Acta Crystallographica Section E","2012","68","1","o91","","10.1107/S1600536811052706","","","0.71073","MoKα","","0.1183","0.0789","","","0.1443","0.1639","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233367","12.1127","0.0008","11.7625","0.0008","18.73","0.001","90","","90","","90","","2668.6","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Benzoyl-2-nitrobenzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C104 H80 N16 O40 S8 -","8","1","BQ2330","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Nirmala, B.","<i>N</i>-Benzoyl-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o339","","10.1107/S1600536811055917","","","0.71073","MoKα","","0.0678","0.0434","","","0.0976","0.1102","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233370","12.227","0.001","12.854","0.001","18.317","0.002","90","","90","","90","","2878.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","BQ2333","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Methylbenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o462","","10.1107/S160053681200164X","","","0.71073","MoKα","","0.0593","0.044","","","0.1127","0.1244","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233373","7.2163","0.0002","20.9627","0.0004","22.4624","0.0004","90","","90","","90","","3397.96","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","","- C16 H21 B O6 -","- C16 H21 B O6 -","- C128 H168 B8 O48 -","8","1","BT5730","Yi, Long-tao; Liu, Zhi-qiang","1,3-Dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate","Acta Crystallographica Section E","2012","68","2","o275","","10.1107/S1600536811054559","","","0.71073","MoKα","","0.0931","0.0462","","","0.1161","0.1419","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233378","12.266","0.001","12.643","0.001","18.738","0.002","90","","90","","90","","2905.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","BT5759","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o274","","10.1107/S1600536811054882","","","0.71073","MoKα","","0.0571","0.037","","","0.0888","0.0961","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233393","9.477","0.0019","20.109","0.004","34.595","0.007","90","","90","","90","","6593","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","","- C21 H21 N O -","- C21 H21 N O -","- C336 H336 N16 O16 -","16","2","BT5787","Jamjah, Roghayieh; Nekoomanesh, Mehdi; Zahedi, Roya; Zohuri, Gholamhossein; Afshar Taromi, Faramarz; Notash, Behrouz","(<i>E</i>)-2-<i>tert</i>-Butyl-6-[(naphthalen-1-yl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","2","o522","","10.1107/S1600536812002395","","","0.71073","MoKα","","0.1118","0.0671","","","0.1347","0.1545","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233415","13.221","0.002","9.5336","0.0018","21.62","0.002","90","","90","","90","","2725.1","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","CV5225","Tang, Chun-Bao","<i>N</i>'-(4-Hydroxybenzylidene)-3-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","2","o296","","10.1107/S1600536811055565","","","0.71073","MoKα","","0.0954","0.0611","","","0.1046","0.1167","","","","","","1.114","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233431","10.2342","0.0006","10.5673","0.0006","27.3485","0.0017","90","","90","","90","","2957.7","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4- azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C128 H128 N16 O48 -","8","1","FF2050","Wang, Peng-Peng; Lin, Qiu-Yue; Zhang, Fan","4-(3,5-Dioxo-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decan-4-yl)-10-oxa-4-azatricyclo[5.2.1.0^2,6^]decane-3,5-dione","Acta Crystallographica Section E","2012","68","2","o381","","10.1107/S1600536812000542","","","0.71073","MoKα","","","0.0825","","","0.1879","0.224","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233529","15.6737","0.0005","8.2831","0.0002","22.3326","0.0007","90","","90","","90","","2899.37","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-Ethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C120 H136 N8 O16 S8 -","8","1","IS5044","Farrukh, Muhammad Akhyar; Faryal, Komal; Mahboob, Maymoona; Qureshi, Fahim Ashraf; Akkurt, Mehmet","<i>N</i>-Ethyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","2","o326","","10.1107/S1600536812000177","","","0.71073","MoKα","","0.0654","0.0435","","","0.1166","0.1363","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233543","14.6525","0.0003","10.2523","0.0003","19.2425","0.0004","90","","90","","90","","2890.64","0.12","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-Bis(2-methylphenyl)-3-nitroformazan","2-[(2-methylphenyl)amino]-3-[(2-methylphenyl)imino]-1,1-dioxoguanidine","","- C15 H15 N5 O2 -","- C15 H15 N5 O2 -","- C120 H120 N40 O16 -","8","1","KP2378","von Eschwege, Karel G.; Hosten, Eric C.; Muller, Alfred","1,5-Bis(2-methylphenyl)-3-nitroformazan","Acta Crystallographica Section E","2012","68","2","o425","","10.1107/S1600536812001171","","","0.71073","MoKα","","0.0892","0.0603","","","","0.1797","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233544","7.7978","0.0009","10.7744","0.0012","35.325","0.004","90","","90","","90","","2967.9","0.6","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]","","- C17 H12 Cu N3 S -","- C17 H12 Cu N3 S -","- C136 H96 Cu8 N24 S8 -","8","1","KP2379","Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Wang, Hui","<i>catena</i>-Poly[[(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ-thiocyanido-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","2","m165","","10.1107/S1600536812000682","","","0.71073","MoKα","","0.051","0.0347","","","0.0838","0.0914","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233546","15.922","0.005","10.107","0.005","19.034","0.005","90","","90","","90","","3063","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","","- C15 H18 I N O2 -","- C15 H18 I N O2 -","- C120 H144 I8 N8 O16 -","8","1","KP2383","Paramasivam, S.; Bhaskar, G.; Seshadri, P. R.; Perumal, P. T.","2-Iodo-3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2012","68","2","o506","","10.1107/S1600536812002255","","","0.71073","MoKα","","0.0441","0.0267","","","0.0651","0.0737","","","","","","0.929","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233571","12.4072","0.0004","9.8528","0.0004","24.7872","0.001","90","","90","","90","","3030.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C120 H128 N16 O24 S8 -","8","1","LX2224","Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Adnan, Ahmad; Türktekin, Sevim; Akkurt, Mehmet","<i>N</i>-{4-[(3-Methylphenyl)sulfamoyl]phenyl}acetamide","Acta Crystallographica Section E","2012","68","2","o437","","10.1107/S1600536812001274","","","0.71073","MoKα","","0.1304","0.0591","","","0.12","0.1459","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233572","16.7869","0.0004","15.1506","0.0006","20.6617","0.0006","90","","90","","90","","5254.9","0.3","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","loperamide monohydrate","4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-<i>N</i>,<i>N</i>-dimethyl- 2,2-diphenylbutanamide monohydrate","","- C29 H35 Cl N2 O3 -","- C29 H35 Cl N2 O3 -","- C232 H280 Cl8 N16 O24 -","8","1","LX2225","Jasinski, Jerry P.; Guild, Curtis J.; Dayananda, A. S.; Yathirajan, H. S.; Ramesha, A. R.","Redetermination of loperamide monohydrate","Acta Crystallographica Section E","2012","68","2","o539","o540","10.1107/S1600536812003091","","","0.71073","MoKα","","0.0548","0.0439","","","0.1008","0.1069","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233594","5.414","0.0011","14.88","0.003","21.304","0.004","90","","90","","90","","1716.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methoxy-3-(trifluoromethyl)aniline","","- C8 H8 F3 N O -","- C8 H8 F3 N O -","- C64 H64 F24 N8 O8 -","8","1","PV2499","He, Jian-Ling","4-Methoxy-3-(trifluoromethyl)aniline","Acta Crystallographica Section E","2012","68","2","o377","","10.1107/S160053681200030X","","","0.71073","MoKα","","0.0727","0.059","","","0.1517","0.1624","","","","","","1.126","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233597","7.471","0.005","14.916","0.005","15.338","0.005","90","","90","","90","","1709.2","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Methylpyridine‒urea (1/1)","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C56 H88 N24 O8 -","8","1","PV2503","Ashurov, Jamshid; Ibragimov, Bakhtiyar; Talipov, Samat","2-Methylpyridine‒urea (1/1)","Acta Crystallographica Section E","2012","68","2","o504","","10.1107/S1600536812002164","","","1.54184","CuKα","","0.0901","0.0557","","","0.1447","0.1665","","","","","","0.973","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233599","7.9079","0.0004","14.1253","0.0006","15.9555","0.0007","90","","90","","90","","1782.25","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Ethoxyphenyl)formamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","PV2505","Rofouei, Mohammad Kazem; Attar Gharamaleki, Jafar; Younesian, Fereshteh; Bruno, Giuseppe; Rudbari, Hadi Amiri","<i>N</i>-(2-Ethoxyphenyl)formamide","Acta Crystallographica Section E","2012","68","2","o505","","10.1107/S160053681200205X","","","0.71073","MoKα","","0.0791","0.0433","","","0.1024","0.1203","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233604","13.992","0.004","7.219","0.002","30.232","0.009","90","","90","","90","","3053.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C120 H128 Br8 N8 O32 -","8","1","QM2045","Mao, Cheng-Gong; Wang, Shuang-Shuang; Su, Deng-Cheng; Qian, Shao-Song","5-Bromo-2-methoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol monohydrate","Acta Crystallographica Section E","2012","68","2","o249","","10.1107/S1600536811054742","","","0.71073","MoKα","","0.085","0.0451","","","0.0948","0.1132","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233621","7.9288","0.001","15.881","0.002","30.069","0.004","90","","90","","90","","3786.2","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","","- C19 H13 Fe N4 O8 -","- C19 H13 Fe N4 O8 -","- C152 H104 Fe8 N32 O64 -","8","1","RZ2696","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Mague, Joel T.","2-Aminopyridinium bis(pyridine-2,6-dicarboxylato)ferrate(III)","Acta Crystallographica Section E","2012","68","2","m174","","10.1107/S1600536812001493","","","0.71073","MoKα","","0.0405","0.0333","","","0.0815","0.086","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233627","11.6861","0.0003","11.4616","0.0003","31.3782","0.0009","90","","90","","90","","4202.8","0.2","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","","- C19 H18 Br4 N2 O2 -","- C19 H18 Br4 N2 O2 -","- C152 H144 Br32 N16 O16 -","8","1","SU2354","Kargar, Hadi; Kia, Reza; Haghshenas, Mahbubeh; Tahir, Muhammad Nawaz","2,4-Dibromo-6-[(<i>E</i>)-({3-[(<i>E</i>)-(3,5-dibromo-2-oxidobenzylidene)azaniumyl]-2,2-dimethylpropyl}iminiumyl)methyl]phenolate","Acta Crystallographica Section E","2012","68","2","o323","","10.1107/S1600536811055899","","","0.71073","MoKα","","0.1238","0.0473","","","0.1012","0.1375","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233667","7.0724","0.0003","18.3069","0.0007","19.1309","0.0007","90","","90","","90","","2476.95","0.17","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","","- C12 H8 N8 Pd -","- C12 H8 N8 Pd -","- C96 H64 N64 Pd8 -","8","1","WM2583","Ha, Kwang","Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)","Acta Crystallographica Section E","2012","68","2","m145","","10.1107/S1600536812001201","","","0.71073","MoKα","","0.0559","0.0326","","","0.0659","0.0839","","","","","","1.088","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233687","8.7791","0.0006","14.1747","0.0011","20.1577","0.0014","90","","90","","90","","2508.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[4-(Propylsulfamoyl)phenyl]acetamide","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C88 H128 N16 O24 S8 -","8","1","XU5426","Ahmad, Saba; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Khan, Islam Ullah; Akkurt, Mehmet","<i>N</i>-[4-(Propylsulfamoyl)phenyl]acetamide","Acta Crystallographica Section E","2012","68","2","o290","o291","10.1107/S1600536811055528","","","0.71073","MoKα","","0.1359","0.0572","","","0.1355","0.1728","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233710","10.053","0.003","22.357","0.007","23.099","0.008","90","","90","","90","","5192","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-4-carboxylate-κ<i>N</i>)cobalt(III) chloroform monosolvate","","- C17 H24 Cl4 Co N5 O6 -","- C17 H24 Cl4 Co N5 O6 -","- C136 H192 Cl32 Co8 N40 O48 -","8","1","ZL2444","Wang, Ning; Sun, Xuzhuo; Wan, Dongjin; Chen, Jing; Li, Bo","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(ethyl pyridine-4-carboxylate-κ<i>N</i>)cobalt(III) chloroform monosolvate","Acta Crystallographica Section E","2012","68","2","m204","m205","10.1107/S1600536812002449","","","0.71073","MoKα","","0.0706","0.0514","","","0.1461","0.1583","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233759","10.07","0.005","14.12","0.004","27.229","0.005","90","","90","","90","","3872","2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C168 H184 N8 O32 S8 -","8","1","BT5826","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","<i>N</i>-[2-(3,4-Dimethoxyphenyl)ethyl]-<i>N</i>-methylnaphthalene-1-sulfonamide","Acta Crystallographica Section E","2012","68","3","o890","","10.1107/S1600536812008203","","","0.71073","MoKα","","0.085","0.045","","","0.1004","0.1197","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233819","21.9905","0.0003","8.1864","0.0001","26.676","0.0003","90","","90","","90","","4802.29","0.1","119.9","","119.9","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10,16-Dichloro-6,20-dioxa-3,23- diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa- 1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","","- C26 H26 Cl2 N2 O5 -","- C26 H26 Cl2 N2 O5 -","- C208 H208 Cl16 N16 O40 -","8","1","GK2457","Pojarová, Michaela; Dušek, Michal; Sedláková, Zdeňka; Makrlík, Emanuel","10,16-Dichloro-6,20-dioxa-3,23-diazatetracyclo[23.3.1.0^7,12^.0^14,19^]nonacosa-1(29),7,9,11,14(19),15,17,25,27-nonaene-4,22-dione methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o805","o806","10.1107/S1600536812007052","","","1.5418","CuKα","","0.0449","0.0326","","","0.0755","0.0815","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233822","13.108","0.003","15.65","0.003","33.967","0.007","90","","90","","90","","6968","3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) dioxide dihydrate","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate","","- C38 H36 O6 P2 -","- C38 H36 O6 P2 -","- C304 H288 O48 P16 -","8","1","HB6568","Dai, Dongmei; Tang, Lin; Gong, Yanqing","(6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate","Acta Crystallographica Section E","2012","68","3","o804","","10.1107/S1600536812005314","","","1.54178","CuKα","","0.0618","0.0438","","","0.1169","0.1302","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233847","18.2485","0.0005","8.8043","0.0002","18.6913","0.0005","90","","90","","90","","3003.04","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3- ylidene)thiosemicarbazide","","- C15 H10 F N5 O3 S -","- C15 H10 F N5 O3 S -","- C120 H80 F8 N40 O24 S8 -","8","1","HB6630","Pervez, Humayun; Manzoor, Nazia; Yaqub, Muhammad; Tahir, M. Nawaz","(<i>Z</i>)-4-(3-Fluorophenyl)-1-(5-nitro-2-oxoindolin-3-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2012","68","3","o670","","10.1107/S1600536812005053","","","0.71073","MoKα","","0.0466","0.0373","","","0.0921","0.1018","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233855","11.785","0.002","12.716","0.003","13.288","0.003","90","","90","","90","","1991.3","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diisopropylammonium thiocyanate","","- C7 H16 N2 S -","- C7 H16 N2 S -","- C56 H128 N16 S8 -","8","1","HB6639","Xu, Jie","Diisopropylammonium thiocyanate","Acta Crystallographica Section E","2012","68","3","o894","","10.1107/S1600536812007349","","","0.71073","MoKα","","0.0576","0.045","","","0.1007","0.1068","","","","","","1.117","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233866","18.637","0.0013","11.6257","0.0005","7.474","0.0003","90","","90","","90","","1619.38","0.15","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Iodo-4-methoxy-2-nitrobenzene","","- C7 H6 I N O3 -","- C7 H6 I N O3 -","- C56 H48 I8 N8 O24 -","8","1","HG5176","Wardell, James L.; Tiekink, Edward R. T.","1-Iodo-4-methoxy-2-nitrobenzene","Acta Crystallographica Section E","2012","68","3","o761","","10.1107/S1600536812006484","","","0.71073","MoKα","","0.0166","0.0139","","","0.0374","0.0386","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233924","12.7282","0.0004","14.0676","0.0004","17.0771","0.0005","90","","90","","90","","3057.74","0.16","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,1,3,3-Tetraethylisoindolin-2-ium chloride","","- C16 H26 Cl N -","- C16 H26 Cl N -","- C128 H208 Cl8 N8 -","8","1","LH5407","Smith, Graham; Wermuth, Urs D.","1,1,3,3-Tetraethylisoindolin-2-ium chloride","Acta Crystallographica Section E","2012","68","3","o659","","10.1107/S1600536812004588","","","0.71073","MoKα","","0.0568","0.0342","","","0.0815","0.0861","","","","","","0.912","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233947","12.2046","0.0008","12.6121","0.0009","18.433","0.001","90","","90","","90","","2837.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","NC2268","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet","<i>N</i>-(3-Chlorobenzoyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o786","","10.1107/S160053681200640X","","","0.71073","MoKα","","0.1214","0.0742","","","0.1296","0.1473","","","","","","1.196","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233958","16.2068","0.0012","7.8839","0.0006","27.262","0.002","90","","90","","90","","3483.3","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{2-[(3-Bromobenzylidene)-amino]-5-chlorophenyl}(phenyl)methanone","","- C20 H13 Br Cl N O -","- C20 H13 Br Cl N O -","- C160 H104 Br8 Cl8 N8 O8 -","8","1","PV2506","Aslam, M.; Anis, I.; Afza, N.; Safder, M.; Yousuf, S.","{2-[(3-Bromobenzylidene)amino]-5-chlorophenyl}(phenyl)methanone","Acta Crystallographica Section E","2012","68","3","o645","","10.1107/S1600536812004667","","","0.71073","MoKα","","0.09","0.0445","","","0.0951","0.115","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233997","10.7019","0.0014","7.1483","0.0009","32.404","0.004","90","","90","","90","","2478.9","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Diiodo-6-[(propylimino)methyl]phenol","","- C10 H11 I2 N O -","- C10 H11 I2 N O -","- C80 H88 I16 N8 O8 -","8","1","SJ5194","Liu, Peng-Gang; Wang, Xiao-Ning; Yang, Yong-An; Zhu, Hai-Liang","2,4-Diiodo-6-[(propylimino)methyl]phenol","Acta Crystallographica Section E","2012","68","3","o789","","10.1107/S1600536812005727","","","0.71073","MoKα","","0.0445","0.035","","","0.0969","0.1044","","","","","","1.234","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234022","12.2057","0.0005","11.8169","0.0005","31.8157","0.0015","90","","90","","90","","4588.9","0.3","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]- 2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","","- C19 H18 I4 N2 O2 -","- C19 H18 I4 N2 O2 -","- C152 H144 I32 N16 O16 -","8","1","VM2150","Kargar, Hadi; Kia, Reza; Shakarami, Tayebeh; Tahir, Muhammad Nawaz","2-((<i>E</i>)-{3-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylideneamino]-2,2-dimethylpropyl}iminomethyl)-4,6-diiodophenol","Acta Crystallographica Section E","2012","68","3","o564","","10.1107/S1600536812003704","","","0.71073","MoKα","","0.1166","0.0436","","","0.0628","0.0794","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234024","12.8288","0.0014","16.8812","0.0017","31.089","0.003","90","","90","","90","","6732.8","1.2","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato- κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'} bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","","- C34 H20 Fe2 N2 O6 S4 -","- C34 H20 Fe2 N2 O6 S4 -","- C272 H160 Fe16 N16 O48 S32 -","8","1","VM2158","Gao, Shang; Jiang, Da-yong; Liang, Qing-cheng; Duan, Qian","Bis{μ-[4-(1,3-benzothiazol-2-yl)phenyl]methanethiolato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)](<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2012","68","3","m330","","10.1107/S1600536812007581","","","0.71073","MoKα","","0.0828","0.0431","","","0.095","0.1072","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234034","14.1266","0.0013","18.8197","0.0017","25.059","0.002","90","","90","","90","","6662.1","1","125","2","125","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2- en-2-yl}anilinido)zinc","","- C38 H42 N4 Zn -","- C38 H42 N4 Zn -","- C304 H336 N32 Zn8 -","8","1","WM2594","Vaughan, Benjamin A.; Wetherby, Anthony E.; Waterman, Rory","Bis(4-methyl-<i>N</i>-{(2<i>Z</i>,4<i>E</i>)-4-[(4-methylphenyl)imino]pent-2-en-2-yl}anilinido)zinc","Acta Crystallographica Section E","2012","68","3","m343","","10.1107/S1600536812007878","","","0.71073","MoKα","","0.0435","0.0362","","","0.1044","0.1111","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234035","9.7841","0.0004","9.2116","0.0004","21.2663","0.0008","90","","90","","90","","1916.67","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(methylsulfanyl)methyl]benzamide","","- C9 H11 N O S -","- C9 H11 N O S -","- C72 H88 N8 O8 S8 -","8","1","WN2467","Khan, Muhammad Riaz; Khan, Azim; Tahir, M. Nawaz; Adeel, Muhammad; Ahmad, Saeed","<i>N</i>-[(Methylsulfanyl)methyl]benzamide","Acta Crystallographica Section E","2012","68","3","o653","","10.1107/S1600536812004515","","","0.71073","MoKα","","0.0596","0.0413","","","0.1066","0.1162","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2234043","12.762","0.002","7.9495","0.001","22.218","0.003","90","","90","","90","","2254","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C88 H88 N24 O32 -","8","1","XU5454","Mosslemin, Mohammad Hossein","2-[3,5-Dioxo-4-(pyridin-3-yl)piperazin-1-yl]acetic acid","Acta Crystallographica Section E","2012","68","3","o583","","10.1107/S1600536812003455","","","0.71073","MoKα","","0.1431","0.0831","","","","0.1394","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234054","9.573","0.0002","8.7748","0.0002","32.062","0.0007","90","","90","","90","","2693.25","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","XU5470","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile","Acta Crystallographica Section E","2012","68","3","o737","","10.1107/S1600536812006290","","","1.5418","CuKα","","0.0436","0.0368","","","0.0946","0.1012","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234058","13.969","0.001","9.6591","0.0006","21.026","0.002","90","","90","","90","","2837","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C112 H96 N16 O40 S8 -","8","1","YK2044","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Methylbenzoyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2012","68","3","o888","","10.1107/S1600536812007854","","","0.71073","MoKα","","0.1074","0.062","","","0.1349","0.1524","","","","","","1.155","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234132","7.6338","0.0002","15.5335","0.0004","28.796","0.0007","90","","90","","90","","3414.62","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7-Chloro-4-[(<i>E</i>)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","","- C19 H18 Cl N3 O3 -","- C19 H18 Cl N3 O3 -","- C152 H144 Cl8 N24 O24 -","8","1","BT5858","de Ferreira, Marcelle; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.; Wardell, James L.","7-Chloro-4-[(<i>E</i>)-2-(3,4,5-trimethoxybenzylidene)hydrazin-1-yl]quinoline","Acta Crystallographica Section E","2012","68","4","o1214","o1215","10.1107/S1600536812012755","","","0.71073","MoKα","","0.0429","0.0355","","","0.0962","0.1008","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234154","7.4268","0.0012","11.3884","0.0018","39.447","0.006","90","","90","","90","","3336.4","0.9","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","1","DS2176","Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2012","68","4","o974","","10.1107/S1600536812008847","","","0.71073","MoKα","","0.1009","0.0562","","","0.1299","0.1541","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234169","12.4226","0.0002","13.4414","0.0002","19.2137","0.0003","90","","90","","90","","3208.25","0.09","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","","- C15 H17 F6 Fe N2 P -","- C15 H17 F6 Fe N2 P -","- C120 H136 F48 Fe8 N16 P8 -","8","1","FJ2522","Nyamori, Vincent O.; Zulu, Siphesihle M.; Omondi, Bernard","1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate","Acta Crystallographica Section E","2012","68","4","m353","","10.1107/S1600536812008719","","","0.71073","MoKα","","0.0263","0.024","","","0.0621","0.0644","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234176","14.845","0.0006","8.098","0.0004","27.391","0.0011","90","","90","","90","","3292.8","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide","","- C18 H27 N3 O -","- C18 H27 N3 O -","- C144 H216 N24 O8 -","8","1","FJ2532","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","<i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","4","o1205","","10.1107/S1600536812011774","","","1.5418","CuKα","","","0.0395","","","","0.1112","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234184","19.3334","0.0019","12.1156","0.0012","20.644","0.002","90","","90","","90","","4835.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl- 5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","","- C23 H27 Cl N6 O3 -","- C23 H27 Cl N6 O3 -","- C184 H216 Cl8 N48 O24 -","8","1","GG2077","Sun, Chuan-Wen; Chen, Yan-Xia; Liu, Tian-Yan","2-Amino-6-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-1-methyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbonitrile ethanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1146","","10.1107/S1600536812011750","","","0.71073","MoKα","","0.0706","0.0478","","","0.124","0.1353","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234189","6.3356","0.0002","16.3222","0.0005","22.0471","0.0007","90","","90","","90","","2279.91","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C112 H72 N8 O16 S8 -","8","1","GK2459","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","2-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1,3-benzothiazole","Acta Crystallographica Section E","2012","68","4","o961","","10.1107/S1600536812008914","","","0.71073","MoKα","","0.0612","0.0391","","","0.0933","0.1053","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234217","10.5179","0.0003","12.4857","0.0003","22.7237","0.0006","90","","90","","90","","2984.15","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","","- C12 H14 N4 O4 S -","- C12 H14 N4 O4 S -","- C96 H112 N32 O32 S8 -","8","1","HB6660","Ghorab, Mostafa M.; Al-Said, Mansour S.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","(<i>E</i>)-4-Amino-<i>N</i>-(1,2-dihydropyridin-2-ylidene)benzenesulfonamide nitromethane monosolvate","Acta Crystallographica Section E","2012","68","4","o1030","","10.1107/S1600536812009865","","","1.54178","CuKα","","0.0512","0.0445","","","0.1387","0.1442","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234219","4.9387","0.0019","19.7","0.007","21.616","0.008","90","","90","","90","","2103.1","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","","- C10 H13 N O5 -","- C10 H13 N O5 -","- C80 H104 N8 O40 -","8","1","HB6663","Jia, Chunman; Chen, Shangwen; Yuan, Wenbing","4-[(2-Carboxyethyl)amino]benzoic acid monohydrate","Acta Crystallographica Section E","2012","68","4","o1098","","10.1107/S1600536812009518","","","0.71073","MoKα","","0.0669","0.0564","","","0.1569","0.1667","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234222","12.6102","0.0012","7.3497","0.001","26.569","0.004","90","","90","","90","","2462.4","0.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-2-[(2<i>H</i>-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro- 1<i>H</i>-inden-1-one","","- C17 H12 O3 -","- C17 H12 O3 -","- C136 H96 O24 -","8","1","HB6667","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Nemari, Khulud F.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-2-[(2<i>H</i>-1,3-Benzodioxol-5-yl)methylidene]-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","4","o1015","","10.1107/S1600536812009464","","","0.71073","MoKα","","0.1053","0.0553","","","0.109","0.1355","","","","","","0.982","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234233","12.0827","0.0006","7.7848","0.0003","27.6527","0.0016","90","","90","","90","","2601.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","HB6681","Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.","(4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","4","o1154","","10.1107/S1600536812011579","","","0.71073","MoKα","","0.0684","0.0438","","","0.0934","0.1088","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234284","11.5555","0.0012","10.1981","0.0011","22.843","0.002","90","","90","","90","","2691.9","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C120 H112 O24 S8 -","8","1","IS5087","Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.; Ghabbour, Hazem A.; Fun, Hoong-Kun; Chia, Tze Shyang","1-(4-Methylphenyl)-2-(phenylsulfonyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1033","","10.1107/S160053681200966X","","","1.54178","CuKα","","0.0787","0.0451","","","0.1112","0.1235","","","","","","0.891","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234287","6.8322","0.0002","16.8974","0.0005","25.7968","0.0006","90","","90","","90","","2978.15","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Acetyl-1,5-diphenyl-1<i>H</i>-pyrazole-4-carbonitrile","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C144 H104 N24 O8 -","8","1","IS5091","Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun","3-Acetyl-1,5-diphenyl-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","4","o1095","o1096","10.1107/S1600536812010938","","","1.54178","CuKα","","0.0453","0.0387","","","0.1109","0.1161","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234297","10.3732","0.0017","7.996","0.0013","37.665","0.006","90","","90","","90","","3124.1","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-((1H-imidazol-1-yl)methyl)-1-(4-(trifluoromethyl)phenyl)-1H-indole","2-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>- indole","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C152 H112 F24 N24 -","8","1","JJ2125","Wang, Rui; Shi, Hong-fan; Du, Lin; Zhao, Jing-feng; Liu, Jian-ping","2-[(1<i>H</i>-Imidazol-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2012","68","4","o1081","","10.1107/S1600536812010471","","","0.71073","MoKα","","0.1174","0.0791","","","0.1863","0.2142","","","","","","0.994","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234300","14.5445","0.0006","8.3832","0.0003","16.2341","0.0006","90","","90","","90","","1979.41","0.13","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Nitrophenyl)morpholine","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","KJ2195","Wang, Li-Jiao; Li, Wei-Wei; Yang, Sheng-Yong; Yang, Li","4-(4-Nitrophenyl)morpholine","Acta Crystallographica Section E","2012","68","4","o1235","","10.1107/S1600536812012172","","","0.71073","MoKα","","0.074","0.0478","","","0.106","0.1213","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234328","8.3321","0.0004","19.4037","0.0011","27.5887","0.0014","90","","90","","90","","4460.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10- dihydrophenanthren-3-yl]acetamide","","- C27 H21 N3 O3 -","- C27 H21 N3 O3 -","- C216 H168 N24 O24 -","8","1","LH5437","Asiri, Abdullah M.; Faidallah, Hassan M.; Al-Thabaiti, Shaeel A.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>-Acetyl-<i>N</i>-[2,4-dicyano-1-(4-methoxyphenyl)-9,10-dihydrophenanthren-3-yl]acetamide","Acta Crystallographica Section E","2012","68","4","o1177","o1178","10.1107/S160053681201210X","","","0.71073","MoKα","","0.0933","0.0608","","","0.1419","0.1664","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234330","9.3808","0.0019","10.925","0.002","23.54","0.005","90","","90","","90","","2412.5","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Cyclohexylpyrrolidine-1-carbothioamide","","- C11 H20 N2 S -","- C11 H20 N2 S -","- C88 H160 N16 S8 -","8","1","LH5439","Li, Yu-Feng","<i>N</i>-Cyclohexylpyrrolidine-1-carbothioamide","Acta Crystallographica Section E","2012","68","4","o1220","","10.1107/S1600536812012627","","","0.71073","MoKα","","0.0826","0.0531","","","0.1653","0.1903","","","","","","1.183","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234350","17.9615","0.0005","11.2633","0.0003","19.5904","0.0006","90","","90","","90","","3963.3","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)- 3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione","","- C24 H19 N O6 S -","- C24 H19 N O6 S -","- C192 H152 N8 O48 S8 -","8","1","PK2393","Siddiqui, Hamid Latif; Ahmad, Matloob; Gul, Salman; Siddiqui, Waseeq Ahmad; Parvez, Masood","3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2<i>H</i>-1λ^6^,2-benzothiazine-1,1,4-trione","Acta Crystallographica Section E","2012","68","4","o978","o979","10.1107/S1600536812009002","","","0.71073","MoKα","","0.1046","0.0684","","","0.114","0.1329","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234353","11.8823","0.0014","7.8835","0.0009","24.835","0.003","90","","90","","90","","2326.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","3,6-diiodo-9H-carbazole","3,6-Diiodo-9<i>H</i>-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C96 H56 I16 N8 -","8","1","PK2397","Xie, Yu-Zhong; Jin, Jing-Yi; Jin, Guang-De","3,6-Diiodo-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","4","o1242","","10.1107/S1600536812012901","","","0.71073","MoKα","","0.04","0.0256","","","0.0482","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234377","7.696","0.003","22.658","0.008","16.03","0.006","90","","90","","90","","2795.2","1.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-(4-Bromobutyl)-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","RK2343","Wang, Qing-Peng; Chang, Juan-Juan; Zhang, Hui-Zhen; Lv, Jing-Song; Zhou, Cheng-He","9-(4-Bromobutyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","4","o1112","","10.1107/S1600536812010987","","","0.71073","MoKα","","0.1193","0.0496","","","0.1177","0.1452","","","","","","0.974","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234391","10.7985","0.0016","8.3971","0.0012","17.485","0.003","90","","90","","90","","1585.5","0.4","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Azido-1-(4-fluorophenyl)ethanone","","- C8 H6 F N3 O -","- C8 H6 F N3 O -","- C64 H48 F8 N24 O8 -","8","1","RZ2730","Yousuf, Sammer; Arshad, Muhammad; Butt, Hafiza Madiha; Saeed, Sumayya; Basha, Fatima Z.","2-Azido-1-(4-fluorophenyl)ethanone","Acta Crystallographica Section E","2012","68","4","o1268","","10.1107/S1600536812013426","","","0.71073","MoKα","","0.0407","0.0329","","","0.0852","0.0902","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234401","8.4221","0.0006","14.3704","0.0009","23.7031","0.0016","90","","90","","90","","2868.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cyclooctanaminium hydrogen succinate monohydrate","","- C12 H25 N O5 -","- C12 H25 N O5 -","- C96 H200 N8 O40 -","8","1","SJ5211","Khorasani, Sanaz; Fernandes, Manuel A.","Cyclooctanaminium hydrogen succinate monohydrate","Acta Crystallographica Section E","2012","68","4","o1204","","10.1107/S1600536812011208","","","0.71073","MoKα","","0.0828","0.0504","","","0.1306","0.145","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234446","15.3105","0.0008","7.2983","0.0004","29.5679","0.0015","90","","90","","90","","3303.9","0.3","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine- 3,7-dicarboxylato] monohydrate]","","- C15 H17 Co N O8 S -","- C15 H17 Co N O8 S -","- C120 H136 Co8 N8 O64 S8 -","8","1","WM2597","Hu, Yun-Xia; Zhou, Yan; Wang, Fang-Ming; Zhang, Wen-Wei","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2012","68","4","m402","m403","10.1107/S1600536812009580","","","0.71073","MoKα","","0.0531","0.0428","","","0.1009","0.1035","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234480","19.2421","0.0004","11.6938","0.0002","24.9769","0.0005","90","","90","","90","","5620.13","0.19","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl- 1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","","- C66 H62 B2 O1.5 P4 -","- C66 H62 B2 O1.5 P4 -","- C264 H248 B8 O6 P16 -","4","0.5","YK2048","Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe","2,4-Bis(diphenylphosphanyl)-1,1,2,3,3,4-hexaphenyl-1,3-diphospha-2,4-diboracyclobutane tetrahydrofuran sesquisolvate","Acta Crystallographica Section E","2012","68","4","o1125","","10.1107/S1600536812011361","","","0.71073","MoKα","","0.0732","0.0412","","","0.0895","0.0958","","","","","","0.867","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234532","10.298","0.0008","10.0586","0.0009","19.2595","0.0017","90","","90","","90","","1995","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethylammonium 4-hydroxybenzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","BT5869","Sornamurthy, B. M.; Peramaiyan, G.; Chakkaravarthi, G.; Kumar, R. Mohan; Manivannan, V.","Dimethylammonium 4-hydroxybenzoate","Acta Crystallographica Section E","2012","68","5","o1445","","10.1107/S1600536812016145","","","0.71073","MoKα","","0.0699","0.047","","","0.1251","0.1431","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234543","13.3976","0.0008","6.2101","0.0006","13.6079","0.0009","90","","90","","90","","1132.18","0.15","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(4-methoxypyridin-3-yl)diazene","","- C12 H12 N4 O2 -","- C12 H12 N4 O2 -","- C48 H48 N16 O8 -","4","0.5","BT5885","Thies, Steffen; Näther, Christian; Herges, Rainer","Bis(4-methoxypyridin-3-yl)diazene","Acta Crystallographica Section E","2012","68","5","o1568","","10.1107/S1600536812018326","","","0.71073","MoKα","","0.051","0.0385","","","0.098","0.1049","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234551","14.569","0.002","7.8623","0.0012","17.042","0.003","90","","90","","90","","1952.1","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5,11,14-tetraazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca- 1(13),2(6),3,7,9,11,14,16-octaene","5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline","","- C13 H8 N4 -","- C13 H8 N4 -","- C104 H64 N32 -","8","1","BX2404","Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo","5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2012","68","5","o1448","","10.1107/S1600536812016595","","","0.71073","MoKα","","0.0903","0.0415","","","0.0986","0.1225","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234564","11.2518","0.0014","18.38","0.002","25.86","0.003","90","","90","","90","","5348.1","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","","- C35 H24 N4 O2 -","- C35 H24 N4 O2 -","- C280 H192 N32 O16 -","8","1","CV5273","Shen, Wei-Biao; Zhang, Zhi-Wen; Wang, Li-Wen; Wu, Jie-Ying","4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde","Acta Crystallographica Section E","2012","68","5","o1358","","10.1107/S1600536812014833","","","0.71073","MoKα","","0.0671","0.0422","","","0.1053","0.1232","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234590","15.2667","0.0011","6.717","0.0004","30.8598","0.0016","90","","90","","90","","3164.6","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","","- C14 H12 Ag B F4 N2 O4 -","- C14 H12 Ag B F4 N2 O4 -","- C112 H96 Ag8 B8 F32 N16 O32 -","8","1","FF2064","Vallejos, Javier; Brito, Iván; Cárdenas, Alejandro; Bolte, Michael","Poly[[μ-ethane-1,2-diyl bis(pyridine-3-carboxylate)](μ-tetrafluoridoborato)silver(I)]","Acta Crystallographica Section E","2012","68","5","m705","","10.1107/S1600536812018399","","","0.71073","MoKα","","0.1155","0.0578","","","0.121","0.1439","","","","","","0.926","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234602","5.8479","0.0002","13.3438","0.0006","15.0883","0.0008","90","","90","","90","","1177.39","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-Methyl-3,4,5,6-tetrahydropyrimidin-2-one","1-Methyl-1,3-diazinan-2-one","","- C5 H10 N2 O -","- C5 H10 N2 O -","- C40 H80 N16 O8 -","8","1","FK2059","Tiritiris, Ioannis; Kantlehner, Willi","1-Methyl-1,3-diazinan-2-one","Acta Crystallographica Section E","2012","68","5","o1478","","10.1107/S1600536812016522","","","0.71073","MoKα","","0.0486","0.0367","","","0.0858","0.0923","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234603","15.762","0.003","8.1144","0.0016","16.015","0.003","90","","90","","90","","2048.3","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Cyclopentylidenepyridine-4-carbohydrazide","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","1","FY2050","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","<i>N</i>'-Cyclopentylidenepyridine-4-carbohydrazide","Acta Crystallographica Section E","2012","68","5","o1299","","10.1107/S1600536812013815","","","0.71073","MoKα","","","0.0324","","","","0.0813","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234615","8.4295","0.0018","9.924","0.002","15.351","0.004","90","","90","","90","","1284.2","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)","","- C16 H14 N4 -","- C16 H14 N4 -","- C64 H56 N16 -","4","0.5","HB6688","Chen, Xu; Wu, Xiao-Yong; Zhao, Guo-Liang","2,2'-(Ethane-1,2-diyl)bis(1<i>H</i>-benzimidazole)","Acta Crystallographica Section E","2012","68","5","o1321","","10.1107/S1600536812013839","","","0.71073","MoKα","","","0.0445","","","0.1055","0.1215","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234619","14.9566","0.0018","11.1123","0.0016","19.351","0.002","90","","90","","90","","3216.2","0.7","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","","- C16 H17 F N2 O4 -","- C16 H17 F N2 O4 -","- C128 H136 F8 N16 O32 -","8","1","HB6695","Zong, Qian-Shou","<i>N</i>'-(3-Fluorobenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2012","68","5","o1338","","10.1107/S1600536812012196","","","0.71073","MoKα","","0.0608","0.0431","","","0.1286","0.1613","","","","","","1.123","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234622","9.6192","0.0019","11.127","0.002","26.574","0.005","90","","90","","90","","2844.3","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-<i>p</i>-tolylpiperidine-1-carboxamide","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C112 H160 N16 O8 -","8","1","HB6706","Li, Yu-Feng","4-Methyl-<i>N</i>-<i>p</i>-tolylpiperidine-1-carboxamide","Acta Crystallographica Section E","2012","68","5","o1472","","10.1107/S1600536812016248","","","0.71073","MoKα","","0.146","0.072","","","0.1765","0.2203","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234648","9.4305","0.0005","13.9334","0.0008","25.6417","0.0014","90","","90","","90","","3369.3","0.3","100","1","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C144 H128 Cl16 O32 -","8","1","HB6742","Fun, Hoong-Kun; Chia, Tze Shyang; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","5","o1465","","10.1107/S1600536812016339","","","0.71073","MoKα","","0.0345","0.0299","","","0.0831","0.0863","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234649","7.3199","0.0004","11.6311","0.0006","45.875","0.002","90","","90","","90","","3905.7","0.3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylbenzoic acid‒<i>N</i>'-[(<i>E</i>)-4-methylbenzylidene]pyridine-4-carbohydrazide‒ water (1/1/1)","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C176 H184 N24 O32 -","8","1","HB6743","Fun, Hoong-Kun; Ooi, Chin Wei; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.","4-Methylbenzoic acid‒<i>N</i>'-[(<i>E</i>)-4-methylbenzylidene]pyridine-4-carbohydrazide‒water (1/1/1)","Acta Crystallographica Section E","2012","68","5","o1492","","10.1107/S1600536812016868","","","0.71073","MoKα","","0.0489","0.0403","","","0.1013","0.1077","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234654","21.2454","0.0015","13.2363","0.0007","12.1954","0.0007","90","","90","","90","","3429.5","0.4","296","","296","","","","","","","","","3","P b c a","-P 2ac 2ab","61","7-Phenyl-7,8-dihydrodibenzo[<i>f</i>,<i>h</i>][1,4]dioxecine-5,10-dione","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","","- C22 H16 O4 -","- C22 H16 O4 -","- C176 H128 O32 -","8","1","HB6748","Fun, Hoong-Kun; Quah, Ching Kheng; Wu, Dongdong","1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2012","68","5","o1551","","10.1107/S1600536812018065","","","0.71073","MoKα","","0.0907","0.0441","","","0.0916","0.1132","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234659","7.7975","0.0011","13.638","0.002","24.854","0.004","90","","90","","90","","2643","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)","","- C13 H10 Cl2 Cu N2 O -","- C13 H10 Cl2 Cu N2 O -","- C104 H80 Cl16 Cu8 N16 O8 -","8","1","HG5195","Wang, Haixia; Lang, Yuehe; Wang, Shaohong","Chlorido[4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)","Acta Crystallographica Section E","2012","68","5","m540","","10.1107/S1600536812013359","","","0.71073","MoKα","","0.0684","0.0381","","","0.0825","0.0975","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234710","9.5361","0.0019","15.941","0.003","24.853","0.005","90","","90","","90","","3778","1.3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7- (trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","","- C20 H11 Cl2 F4 N3 -","- C20 H11 Cl2 F4 N3 -","- C160 H88 Cl16 F32 N24 -","8","1","KP2407","Liu, Ju; Cai, Zhi-Qiang; Wang, Yang; Jiang, Ming-Jun; Xu, Li-Feng","3-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2012","68","5","o1515","","10.1107/S1600536812017345","","","0.71073","MoKα","","0.0717","0.0552","","","0.1399","0.1525","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234712","12.11","0.0009","15.5996","0.0012","16.0253","0.0012","90","","90","","90","","3027.4","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","[2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine","","- C16 H24 N2 -","- C16 H24 N2 -","- C128 H192 N16 -","8","1","LD2053","Wang, De-Cai; Pan, Hua-Yang; Song, Jun-Song; Wei, Ping; Ou-yang, Ping-Kai","[2-(1<i>H</i>-Indol-4-yl)ethyl]dipropylamine","Acta Crystallographica Section E","2012","68","5","o1502","","10.1107/S1600536812015474","","","0.71073","MoKα","","0.1464","0.0598","","","0.1007","0.1222","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234827","7.46","0.001","12.35","0.001","31.176","0.002","90","","90","","90","","2872.3","0.5","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[1-({2-[1-(2-Hydroxy-5- {[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]- 4-{[methyl(phenyl)amino]methyl}phenol","","- C34 H38 N4 O2 -","- C34 H38 N4 O2 -","- C136 H152 N16 O8 -","4","0.5","VM2172","Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane","2-[1-({2-[1-(2-Hydroxy-5-{[methyl(phenyl)amino]methyl}phenyl)ethylideneamino]ethyl}imino)ethyl]-4-{[methyl(phenyl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","5","o1562","","10.1107/S1600536812017904","","","0.71073","MoKα","","0.1051","0.063","","","0.1814","0.2161","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234844","8.5729","0.0013","17.555","0.003","20.427","0.003","90","","90","","90","","3074.2","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","XU5499","Li, Li-Nan; Zhang, Wei-Guo; Huang, Shan-Shan; Li, Chuan-Xun; Wang, Shou-Yu","(<i>Z</i>)-4-[(Ethylamino)(furan-2-yl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","5","o1277","","10.1107/S1600536812013712","","","0.71073","MoKα","","0.0812","0.0488","","","0.1307","0.1528","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234876","11.5698","0.0005","13.0393","0.0006","22.0393","0.001","90","","90","","90","","3324.9","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C136 H128 N32 O48 -","8","1","ZL2472","Ha, Kwang","4,4'-Dinitro-2,2'-[propane-1,3-diylbis(iminiumylmethanylylidene)]diphenolate","Acta Crystallographica Section E","2012","68","5","o1399","","10.1107/S1600536812015504","","","0.71073","MoKα","","0.1135","0.0515","","","0.1074","0.1378","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234895","12.1993","0.0014","8.2012","0.0009","33.453","0.004","90","","90","","90","","3346.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C136 H200 N24 O16 -","8","1","AA2057","Wang, Zhe-Qin; Ma, Yi","1-[(3-Nitrophenyl)(piperidin-1-yl)methyl]piperidine","Acta Crystallographica Section E","2012","68","6","o1941","","10.1107/S1600536812023525","","","0.71073","MoKα","","0.0853","0.0726","","","0.2166","0.2305","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234900","11.981","0.005","13.226","0.005","25.946","0.01","90","","90","","90","","4111","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(triethylammonium) tetrachloridocobaltate(II)","","- C12 H32 Cl4 Co N2 -","- C12 H32 Cl4 Co N2 -","- C96 H256 Cl32 Co8 N16 -","8","1","BG2461","Azadbakht, Reza; Hadadzadeh, Hassan; Amiri Rudbari, Hadi","Bis(triethylammonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2012","68","6","m859","","10.1107/S1600536812022441","","","0.71073","MoKα","","0.1367","0.0518","","","0.0904","0.1189","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2234902","10.293","0.002","14.484","0.003","15.708","0.003","90","","90","","90","","2341.8","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Hydroxypyridinium <i>p</i>-toluenesulfonate","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C96 H104 N8 O32 S8 -","8","1","BH2431","Jin, Yu","2-Hydroxypyridinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2012","68","6","o1669","","10.1107/S1600536812019873","","","0.71073","MoKα","","0.0557","0.0455","","","0.1054","0.111","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234912","8.138","0.0002","8.6259","0.0002","16.7854","0.0006","90","","90","","90","","1178.29","0.06","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminoethanaminium iodide","","- C2 H9 I N2 -","- C2 H9 I N2 -","- C16 H72 I8 N16 -","8","1","BR2201","Kennedy, Alan R.; Okoth, Maurice O.","2-Aminoethanaminium iodide","Acta Crystallographica Section E","2012","68","6","o1731","","10.1107/S160053681202065X","","","0.71073","MoKα","","0.0218","0.0161","","","0.0342","0.0353","","","","","","1.077","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234984","10.9165","0.0005","7.815","0.0003","28.039","0.0014","90","","90","","90","","2392.08","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1<i>E</i>,2<i>E</i>)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C88 H104 N24 S8 -","8","1","FF2068","Mendoza-Meroño, Rafael; García-Granda, Santiago","(1<i>E</i>,2<i>E</i>)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone","Acta Crystallographica Section E","2012","68","6","o1840","","10.1107/S1600536812022386","","","1.5418","CuKα","","0.0592","0.0389","","","0.0975","0.11","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235029","10.8301","0.0002","7.463","0.0001","21.7213","0.0003","90","","90","","90","","1755.62","0.05","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(5-Bromo-1-benzofuran-2-yl)ethanone","","- C10 H7 Br O2 -","- C10 H7 Br O2 -","- C80 H56 Br8 O16 -","8","1","HB6772","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.","1-(5-Bromo-1-benzofuran-2-yl)ethanone","Acta Crystallographica Section E","2012","68","6","o1682","","10.1107/S160053681201985X","","","0.71073","MoKα","","0.0359","0.0236","","","0.0534","0.0577","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235032","13.2629","0.0005","7.9118","0.0003","24.9235","0.0008","90","","90","","90","","2615.31","0.16","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","","- C15 H13 F N2 O -","- C15 H13 F N2 O -","- C120 H104 F8 N16 O8 -","8","1","HB6775","Hu, Hua-Nan; Liu, Shi-Yong","(<i>E</i>)-<i>N</i>'-(3-Fluorobenzylidene)-4-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","6","o1643","","10.1107/S1600536812019484","","","0.71073","MoKα","","0.0509","0.041","","","0.1134","0.1231","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235042","14.3951","0.0003","8.7449","0.0002","21.1047","0.0004","90","","90","","90","","2656.74","0.1","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","HB6791","Rassem, Hesham Hussein; Salhin, Abdussalam; Bin Salleh, Baharuddin; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","(<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","6","o1832","","10.1107/S1600536812021952","","","0.71073","MoKα","","0.0596","0.0436","","","0.1044","0.1144","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235047","15.514","0.003","15.021","0.003","16.155","0.003","90","","90","","90","","3764.7","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzyltriethylammonium tetrachloridoferrate(III)","","- C13 H22 Cl4 Fe N -","- C13 H22 Cl4 Fe N -","- C104 H176 Cl32 Fe8 N8 -","8","1","HB6797","Jin, Lei","Benzyltriethylammonium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","6","m805","","10.1107/S1600536812023008","","","0.71073","MoKα","","0.1091","0.0682","","","0.1511","0.1704","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235066","15.6869","0.0004","11.0215","0.0002","23.0217","0.0016","90","","90","","90","","3980.3","0.3","150","0.2","150","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl- 2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","","- C23 H25 Br O4 -","- C23 H25 Br O4 -","- C184 H200 Br8 O32 -","8","1","HG5218","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Fanwick, Phillip E.; Potgeiter, Herman","7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1710","","10.1107/S1600536812021034","","","1.54178","CuKα","","0.0551","0.0415","","","0.0984","0.1073","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235112","19.657","0.004","7.586","0.0015","22.436","0.005","90","","90","","90","","3345.6","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C144 H136 Cl8 O32 -","8","1","JJ2129","Zou, Baohua; Fang, Zheng; Zhong, Hui; Guo, Kai; Wei, Ping","Methyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate","Acta Crystallographica Section E","2012","68","6","o1676","","10.1107/S1600536812019812","","","0.71073","MoKα","","0.1794","0.0672","","","0.1407","0.1942","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235157","8.59","0.003","12.885","0.005","17.237","0.007","90","","90","","90","","1907.8","1.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Aminocyclohexan-1-aminium thiocyanate","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C56 H120 N24 S8 -","8","1","LR2062","Salem, Halima F.; Hasbullah, Siti Aishah; Yamin, Bohari M.","2-Aminocyclohexan-1-aminium thiocyanate","Acta Crystallographica Section E","2012","68","6","o1732","","10.1107/S1600536812020879","","","0.71073","MoKα","","0.0535","0.0451","","","0.1072","0.1116","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235181","13.5388","0.0003","7.266","0.0001","24.1083","0.0004","90","","90","","90","","2371.6","0.07","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","","- C11 H13 N O2 S2 -","- C11 H13 N O2 S2 -","- C88 H104 N8 O16 S16 -","8","1","NK2160","Mirošová, Pavla; Nečas, Marek; Vícha, Robert","2-Methyl-2-(3-nitrophenyl)-1,3-dithiane","Acta Crystallographica Section E","2012","68","6","o1827","","10.1107/S1600536812022283","","","0.71073","MoKα","","0.0321","0.0266","","","0.0689","0.0738","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235278","12.7034","0.0004","11.3939","0.0004","15.8258","0.0005","90","","90","","90","","2290.65","0.13","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","poly[[aqualithium(I)]-μ-3,3,8,8-tetramethyl-1,4,6,9-tetraoxa-5λ^4^- borataspiro[4.4]nonane-2,7-dione]","","- C8 H14 B Li O7 -","- C8 H14 B Li O7 -","- C64 H112 B8 Li8 O56 -","8","1","VN2036","Allen, Joshua L.; Paillard, Elie; Boyle, Paul D.; Henderson, Wesley A.","Lithium bis(2-methyllactato)borate monohydrate","Acta Crystallographica Section E","2012","68","6","m749","","10.1107/S1600536812017540","","","0.71073","MoKα","","0.0521","0.0357","","","0.0903","0.098","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235333","13.8912","0.0008","12.4572","0.0004","17.8617","0.0011","90","","90","","90","","3090.9","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3- dihydroquinolin-4(1<i>H</i>)-one","","- C19 H15 Cl N2 O -","- C19 H15 Cl N2 O -","- C152 H120 Cl8 N16 O8 -","8","1","ZS2200","Bouraiou, Abdelmalek; Bouacida, Sofiane; Bertrand, Carboni; Roisnel, Thierry; Belfaitah, Ali","<i>rac</i>-2-(2-Chloro-6-methylquinolin-3-yl)-2,3-dihydroquinolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","6","o1701","o1702","10.1107/S1600536812020831","","","0.71073","MoKα","","0.1516","0.0619","","","0.1293","0.1688","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235334","16.0949","0.0004","7.7012","0.0002","22.6874","0.0004","90","","90","","90","","2812.1","0.11","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","9-(4-bromobutyl)-9<i>H</i>-carbazole","9-(4-Bromobutyl)-9<i>H</i>-carbazole","","- C16 H16 Br N -","- C16 H16 Br N -","- C128 H128 Br8 N8 -","8","1","ZS2201","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","9-(4-Bromobutyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2012","68","6","o1853","","10.1107/S1600536812022398","","","0.71073","MoKα","","0.0732","0.049","","","0.1283","0.1461","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235335","15.3583","0.0005","11.3833","0.0004","22.207","0.0007","90","","90","","90","","3882.4","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9- tetrahydro-1<i>H</i>-xanthen-1-one","","- C23 H26 O4 -","- C23 H26 O4 -","- C184 H208 O32 -","8","1","ZS2203","Kurbanova, Malahat M.; Gurbanov, Atash V.; Mahmudov, Kamran T.; Maharramov, Abel M.; Ng, Seik Weng","9-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2012","68","6","o1606","","10.1107/S1600536812018934","","","0.71073","MoKα","","0.0823","0.0621","","","0.1731","0.1954","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235344","17.1756","0.0006","11.1724","0.0004","22.6546","0.0008","90","","90","","90","","4347.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","24-Acetyl-8,11,14-trioxa-24,27- diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa- 2,4,6,15(20),16,18-hexaen-28-one","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C200 H224 N16 O40 -","8","1","AA2068","Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Kolyadina, Nadezhda M.; Khrustalev, Victor N.","24-Acetyl-8,11,14-trioxa-24,27-diazapentacyclo[19.5.1.1^22,26^.0^2,7^.0^15,20^]octacosa-2,4,6,15(20),16,18-hexaen-28-one","Acta Crystallographica Section E","2012","68","7","o2165","o2166","10.1107/S1600536812027274","","","0.71073","MoKα","","0.0647","0.0415","","","0.0978","0.1059","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235351","22.323","0.006","10.937","0.003","34.13","0.009","90","","90","","90","","8333","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)- κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato- κ<i>O</i>^1^)manganese(II)","","- C42 H30 Mn N10 O15 -","- C42 H30 Mn N10 O15 -","- C336 H240 Mn8 N80 O120 -","8","1","BH2434","Li, Congfen; Kou, Fan; Li, Xinghan; Wu, Hao; Wu, Huilu","[1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)-κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato-κ<i>O</i>^1^)manganese(II)","Acta Crystallographica Section E","2012","68","7","m923","","10.1107/S1600536812026037","","","0.71073","MoKα","","0.1177","0.0583","","","0.1131","0.1358","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235356","7.743","0.002","7.199","0.002","31.913","0.01","90","","90","","90","","1778.9","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","para-chloroanilinium thiocyanate","4-Chloroanilinium thiocyanate","","- C7 H7 Cl N2 S -","- C7 H7 Cl N2 S -","- C56 H56 Cl8 N16 S8 -","8","1","BQ2362","Yusoff, Siti Fairus M.; Halima, F. Salem; Yamin, Bohari M.","4-Chloroanilinium thiocyanate","Acta Crystallographica Section E","2012","68","7","o1988","","10.1107/S160053681202377X","","","0.71073","MoKα","","0.0446","0.0393","","","0.1049","0.1084","","","","","","1.18","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235402","8.1254","0.0002","11.0602","0.0002","32.4813","0.001","90","","90","","90","","2919.05","0.13","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5- diyl]dimethanol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C136 H152 N8 O24 -","8","1","EZ2294","Guner, Selahaddin; Şeftalicioglu, Kubra","[(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5-diyl]dimethanol","Acta Crystallographica Section E","2012","68","7","o2061","","10.1107/S1600536812025032","","","0.71073","MoKα","","0.0885","0.0558","","","0.0985","0.108","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235422","14.6418","0.0003","7.8407","0.0001","20.0645","0.0004","90","","90","","90","","2303.44","0.07","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromopyridine-2-carbaldehyde phenylhydrazone","","- C12 H10 Br N3 -","- C12 H10 Br N3 -","- C96 H80 Br8 N24 -","8","1","GG2083","Moreno-Fuquen, Rodolfo; Chaur, Manuel N.; Romero, Elkin L.; Zuluaga, Fabio; Ellena, Javier","6-Bromopyridine-2-carbaldehyde phenylhydrazone","Acta Crystallographica Section E","2012","68","7","o2131","","10.1107/S1600536812026517","","","0.71073","MoKα","","0.0486","0.0386","","","0.1023","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235459","13.796","0.002","8.412","0.002","24.004","0.003","90","","90","","90","","2785.7","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","HB6829","Shen, Tong; Li, Guoli; Zheng, Bin","<i>N</i>'-(3,4-Dihydroxybenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","7","o2034","","10.1107/S1600536812025688","","","0.71073","MoKα","","0.1545","0.0676","","","0.1257","0.1586","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235460","15.4597","0.0016","12.7864","0.0012","20.312","0.002","90","","90","","90","","4015.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C144 H208 N16 O64 -","16","2","HB6830","Zong, Qian-Shou; Wu, Jian-Yi","7-Hydroxy-1,2,3,4-tetrahydroquinolin-2-one dihydrate","Acta Crystallographica Section E","2012","68","7","o2036","","10.1107/S1600536812025263","","","0.7107","MoKα","","0.1018","0.0837","","","0.1672","0.1751","","","","","","1.3","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235475","12.275","0.003","7.4343","0.0011","19.328","0.003","90","","90","","90","","1763.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(2-Fluoropyridin-5-yl)phenol","","- C11 H8 F N O -","- C11 H8 F N O -","- C88 H64 F8 N8 O8 -","8","1","HB6846","Elahi, Fazal; Adeel, Muhammad; Tahir, M. Nawaz","4-(2-Fluoropyridin-5-yl)phenol","Acta Crystallographica Section E","2012","68","7","o2124","","10.1107/S1600536812026499","","","0.71073","MoKα","","0.1282","0.0512","","","0.0962","0.123","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235483","10.7908","0.0007","10.4672","0.0005","25.8714","0.0017","90","","90","","90","","2922.2","0.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Formyl-6-methoxyphenyl cinnamate","","- C17 H14 O4 -","- C17 H14 O4 -","- C136 H112 O32 -","8","1","HB6858","Manikandan, N.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","2-Formyl-6-methoxyphenyl cinnamate","Acta Crystallographica Section E","2012","68","7","o2167","","10.1107/S160053681202747X","","","0.71073","MoKα","","0.0592","0.0368","","","0.0922","0.106","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235485","11.473","0.019","7.507","0.013","30.5","0.05","90","","90","","90","","2627","8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","1","HB6861","Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","(2<i>E</i>)-<i>N</i>'-[(<i>E</i>)-Benzylidene]-3-phenylprop-2-enohydrazide from synchrotron radiation","Acta Crystallographica Section E","2012","68","7","o2255","o2256","10.1107/S1600536812028504","","","0.6943","synchrotron","","0.0679","0.0486","","","0.1262","0.1402","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235488","11.2417","0.0005","7.8381","0.0008","25.3933","0.0018","90","","90","","90","","2237.5","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(benzyloxy)-1H-benzotriazole","1-Benzyloxy-1<i>H</i>-benzotriazole","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","HB6865","Jebas, Samuel Robinson; Selvarathy Grace, P.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter","1-Benzyloxy-1<i>H</i>-benzotriazole","Acta Crystallographica Section E","2012","68","7","o2239","","10.1107/S1600536812028395","","","1.54178","CuKα","","0.0607","0.0542","","","0.1567","0.1629","","","","","","1.115","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235498","17.6689","0.0012","15.076","0.0007","17.9479","0.001","90","","90","","90","","4780.9","0.5","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine- 1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato- 1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato- 1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate","","- C28 H40 N14 Ni3 O6 S6 -","- C28 H40 N14 Ni3 O6 S6 -","- C112 H160 N56 Ni12 O24 S24 -","4","0.5","HP2040","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Bis(methanol-1κ<i>O</i>)tetra-μ-pyridazine-1:2κ^4^<i>N</i>:<i>N</i>';2:3κ^4^<i>N</i>:<i>N</i>'-di-μ-thiocyanato-1:2κ^2^<i>N</i>:<i>N</i>;2:3κ^2^<i>N</i>:<i>N</i>-tetrathiocyanato-1κ^2^<i>N</i>,3κ^2^<i>N</i>-trinickel(II) methanol tetrasolvate","Acta Crystallographica Section E","2012","68","7","m940","m941","10.1107/S1600536812026864","","","0.71073","MoKα","","0.058","0.0408","","","0.0978","0.1062","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235501","8.2957","0.001","22.104","0.003","22.11","0.003","90","","90","","90","","4054.3","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)- κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]","","- C19 H12 Br Cl2 La N2 O3 -","- C19 H12 Br Cl2 La N2 O3 -","- C152 H96 Br8 Cl16 La8 N16 O24 -","8","1","HY2550","Zhu, Wen-Qing; Wang, Jin-Ping; Yuan, Yu-Kun; Li, Zhuo","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lanthanum(III)]-μ-(5-bromo-2-hydroxybenzoato)-κ^2^<i>O</i>^1^:<i>O</i>^1'^-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","7","m896","","10.1107/S1600536812025500","","","0.71073","MoKα","","0.0526","0.0344","","","0.0945","0.1247","","","","","","1.003","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235502","7.6411","0.0015","9.3603","0.0019","19.589","0.004","90","","90","","90","","1401.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(ethanediol-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","","- C4 H6 O6 Zn -","- C4 H6 O6 Zn -","- C32 H48 O48 Zn8 -","8","1","HY2552","Tan, Zheng-De; Tan, Feng-Jiao; Tan, Bo; Zhang, Cheng-Ming","<i>catena</i>-Poly[[(ethanediol-κ^2^<i>O</i>,<i>O</i>')zinc]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]","Acta Crystallographica Section E","2012","68","7","m868","","10.1107/S1600536812024361","","","0.71073","MoKα","","0.0582","0.0427","","","0.1215","0.1327","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235525","14.2959","0.0012","7.8817","0.0008","14.428","0.0013","90","","90","","90","","1625.7","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyanopyridinium hydrogen sulfate","","- C6 H6 N2 O4 S -","- C6 H6 N2 O4 S -","- C48 H48 N16 O32 S8 -","8","1","JJ2139","Wang, Ying-Chun","4-Cyanopyridinium hydrogen sulfate","Acta Crystallographica Section E","2012","68","7","o2176","","10.1107/S1600536812027304","","","0.71073","MoKα","","0.036","0.0344","","","0.0904","0.0915","","","","","","1.19","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235641","11.8864","0.0004","13.6276","0.0005","31.0273","0.001","90","","90","","90","","5025.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Chloro-3,6-dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>- pyrano[2,3-<i>c</i>]pyrazol-4-one","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C224 H176 Cl16 N32 O32 -","16","2","SU2466","Asiri, Abdullah M.; Faidallah, Hassan M.; Alamry, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-Chloro-3,6-dimethyl-1-phenyl-1<i>H</i>,4<i>H</i>-pyrano[2,3-<i>c</i>]pyrazol-4-one","Acta Crystallographica Section E","2012","68","7","o2257","","10.1107/S1600536812028528","","","0.71073","MoKα","","0.0606","0.0444","","","0.1064","0.1173","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235642","7.9698","0.0003","17.5466","0.0008","20.135","0.0008","90","","90","","90","","2815.7","0.2","120.1","0.1","120.1","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-(Adamantan-2-ylidene)benzohydrazide","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C136 H160 N16 O8 -","8","1","SU2467","Almutairi, Maha S.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Said-Abdelbaky, Mohammed; García-Granda, Santiago","<i>N</i>'-(Adamantan-2-ylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","7","o2247","o2248","10.1107/S1600536812028644","","","1.54184","CuKα","","0.0792","0.0505","","","0.1207","0.1388","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235644","12.3035","0.0007","11.656","0.0007","20.7112","0.001","90","","90","","90","","2970.2","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N'</i>)nickel(II) sulfate","","- C10 H16 N2 Ni O8 S -","- C10 H16 N2 Ni O8 S -","- C80 H128 N16 Ni8 O64 S8 -","8","1","TK5105","Boonlue, Sujirat; Theppitak, Chatphorn; Chainok, Kittipong","Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate","Acta Crystallographica Section E","2012","68","7","m908","","10.1107/S160053681202538X","","","0.71073","MoKα","","0.0499","0.0389","","","0.0857","0.0917","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235649","9.0486","0.0003","9.4105","0.0003","33.4876","0.001","90","","90","","90","","2851.53","0.16","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H12 Cl N O S -","- C16 H12 Cl N O S -","- C128 H96 Cl8 N8 O8 S8 -","8","1","TK5111","Lakshmanan, D.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M.","(<i>Z</i>)-3-(4-Chlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2130","","10.1107/S1600536812026608","","","0.71073","MoKα","","0.0648","0.0469","","","0.1089","0.1179","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235654","18.288","0.002","8.713","0.003","19.018","0.002","90","","90","","90","","3030.4","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","","- C15 H12 Br Cl N2 O4 -","- C15 H12 Br Cl N2 O4 -","- C120 H96 Br8 Cl8 N16 O32 -","8","1","VM2167","Zhu, Hui; Jiang, Hui-Hui; Zhu, Hai-Liang","6-Bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-2-methoxy-3-nitrophenol","Acta Crystallographica Section E","2012","68","7","o2023","","10.1107/S1600536812023859","","","0.71073","MoKα","","0.1104","0.0503","","","0.1322","0.1486","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235705","10.312","0.002","14.997","0.003","15.666","0.003","90","","90","","90","","2422.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a- octahydropyrrolo[1,2-<i>a</i>]pyrimidin-6-one","","- C10 H14 Cl2 N2 O2 -","- C10 H14 Cl2 N2 O2 -","- C80 H112 Cl16 N16 O16 -","8","1","YK2055","Gao, Shuang; Zhao, Li-xia; Ye, Fei; Fu, Ying; Xing, Zhi-yong","1-Dichloroacetyl-8a-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-<i>a</i>]pyrimidin-6-one","Acta Crystallographica Section E","2012","68","7","o1982","","10.1107/S1600536812024063","","","0.71073","MoKα","","0.0572","0.0522","","","0.1505","0.1558","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235709","15.139","0.005","11.428","0.005","16.76","0.005","90","","90","","90","","2899.6","1.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","L3","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","","- C36 H32 N6 O2 -","- C36 H32 N6 O2 -","- C144 H128 N24 O8 -","4","0.5","YK2063","Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan","1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane","Acta Crystallographica Section E","2012","68","7","o2272","o2273","10.1107/S1600536812029017","","","0.71073","MoKα","","0.0572","0.038","","","0.0951","0.0995","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235718","11.061","0.0005","7.584","0.0004","22.642","0.0011","90","","90","","90","","1899.36","0.16","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Methyl-4-[(1<i>E</i>)-2-nitroprop-1-en-1-yl]benzene","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","1","ZQ2167","Li, Zhao-Bo; Shen, Li-Li; Zheng, Jian-An","1-Methyl-4-[(1<i>E</i>)-2-nitroprop-1-en-1-yl]benzene","Acta Crystallographica Section E","2012","68","7","o2065","","10.1107/S1600536812025913","","","0.71073","MoKα","","0.0722","0.0445","","","0.1141","0.1344","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235729","15.06","0.002","6.6997","0.0011","16.649","0.003","90","","90","","90","","1679.8","0.5","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Methoxy-1,3-benzothiazol-2-amine","","- C8 H8 N2 O S -","- C8 H8 N2 O S -","- C64 H64 N16 O8 S8 -","8","1","ZS2217","Saeed, Aamer; Rafique, Hummera; Flörke, Ulrich","6-Methoxy-1,3-benzothiazol-2-amine","Acta Crystallographica Section E","2012","68","7","o2240","","10.1107/S1600536812028152","","","0.71073","MoKα","","0.0387","0.0333","","","0.0901","0.0939","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235748","16.4102","0.0006","16.4371","0.0006","20.0648","0.0007","90","","90","","90","","5412.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-<i>b</i>]quinoxaline- 11,3'-pyrrolizin]-2'-yl}(<i>p</i>-tolyl)methanone","","- C35 H29 N3 O -","- C35 H29 N3 O -","- C280 H232 N24 O8 -","8","1","BT5959","Srinivasan, T.; Suhitha, S.; Purushothaman, S.; Raghunathan, R.; Velmurugan, D.","{1'-Phenyl-1',2',5',6',7',7a'-hexahydrospiro[indeno[1,2-<i>b</i>]quinoxaline-11,3'-pyrrolizin]-2'-yl}(<i>p</i>-tolyl)methanone","Acta Crystallographica Section E","2012","68","8","o2469","","10.1107/S1600536812031480","","","0.71073","MoKα","","0.101","0.0488","","","0.115","0.1438","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235829","11.5768","0.0006","7.3222","0.0005","29.2849","0.0015","90","","90","","90","","2482.4","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","1","HB6857","Tahir, M. Nawaz; Sirajuddin, Muhammad; Ali, Saqib; Munawar, Khurram Shahzad","2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","8","o2589","","10.1107/S1600536812027262","","","0.71073","MoKα","","0.0577","0.0411","","","0.0996","0.1118","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2235849","6.7094","0.0002","9.4134","0.0003","49.162","0.0016","90","","90","","90","","3104.99","0.17","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C144 H120 N24 O16 -","8","1","HB6897","Alliouche, Hayette; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","3-(1<i>H</i>-1,3-Benzimidazol-2-yl)-2,7-dimethoxyquinoline","Acta Crystallographica Section E","2012","68","8","o2492","","10.1107/S1600536812032357","","","0.71073","MoKα","","0.0606","0.0457","","","0.1044","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235874","13.3348","0.0002","14.2045","0.0002","15.9132","0.0003","90","","90","","90","","3014.19","0.08","100","1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4- dimethylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","","- C15 H9 Cl2 F3 N2 O2 -","- C15 H9 Cl2 F3 N2 O2 -","- C120 H72 Cl16 F24 N16 O16 -","8","1","IS5160","Fun, Hoong-Kun; Loh, Wan-Sin; Sarojini, B. K.; Mohan, B. J.; Narayana, B.","1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4-dimethylpyrano[2,3-<i>c</i>]pyrazol-6(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2350","","10.1107/S1600536812029789","","","0.71073","MoKα","","0.0452","0.0364","","","0.0891","0.0957","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235875","11.0365","0.0003","13.4763","0.0003","20.0092","0.0006","90","","90","","90","","2975.99","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C112 H144 N16 O24 S8 -","8","1","IS5161","Al-Said, Mansour S.; Ghorab, Mostafa M.; Ghabbour, Hazem A.; Quah, Ching Kheng; Fun, Hoong-Kun","4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide","Acta Crystallographica Section E","2012","68","8","o2370","","10.1107/S1600536812029996","","","1.54178","CuKα","","0.0499","0.0438","","","0.1206","0.125","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235884","8.1253","0.0002","8.6138","0.0002","18.9368","0.0004","90","","90","","90","","1325.38","0.05","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,6-Diazaoctane-1,8-diaminium diiodide","","- C6 H20 I2 N4 -","- C6 H20 I2 N4 -","- C24 H80 I8 N16 -","4","0.5","JJ2132","Cukrowski, Ignacy; Adeyinka, Adedapo S.; Liles, David C.","3,6-Diazaoctane-1,8-diaminium diiodide","Acta Crystallographica Section E","2012","68","8","o2387","","10.1107/S1600536812030127","","","0.7107","MoKα","","0.0337","0.0226","","","0.0521","0.0533","","","","","","0.966","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235901","15.4948","0.0003","16.1272","0.0003","22.443","0.0004","90","","90","","90","","5608.23","0.18","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxymethyl-10-methoxy-17,22- dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta- 1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","","- C33 H32 O7 -","- C33 H32 O7 -","- C264 H256 O56 -","8","1","LD2069","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","4-Hydroxymethyl-10-methoxy-17,22-dioxapentacyclo[21.2.2.2^13,16^.1^3,7^.0^11,30^]triaconta-1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate","Acta Crystallographica Section E","2012","68","8","o2598","o2599","10.1107/S1600536812033521","","","1.54187","CuKα","","0.0381","0.0365","","","0.0967","0.098","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235968","18.008","0.0003","12.4307","0.0002","25.3332","0.0004","90","","90","","90","","5670.89","0.16","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","","- C38 H24 O6 -","- C38 H24 O6 -","- C304 H192 O48 -","8","1","RZ2784","Sakamoto, Rei; Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki","1,8-Dibenzoylnaphthalene-2,7-diyl dibenzoate","Acta Crystallographica Section E","2012","68","8","o2454","","10.1107/S1600536812030991","","","1.54187","CuKα","","0.0356","0.0324","","","0.082","0.0842","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235974","8.5603","0.0012","11.0699","0.0015","37.346","0.005","90","","90","","90","","3539","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine- κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]- μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","","- C13 H16 Mn N6 S3 -","- C13 H16 Mn N6 S3 -","- C104 H128 Mn8 N48 S24 -","8","1","RZ2792","Wang, Jun; Zhu, Wubiao; Li, Jichang","<i>catena</i>-Poly[[(2-{[2-(dimethylammonio)ethyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2012","68","8","m1131","","10.1107/S1600536812032874","","","0.71073","MoKα","","0.0771","0.043","","","0.0853","0.098","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236067","7.4598","0.0003","19.3131","0.0008","24.4002","0.0009","90","","90","","90","","3515.4","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(2-(Benzo[<i>d</i>]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","","- C21 H14 Cl N O2 S -","- C21 H14 Cl N O2 S -","- C168 H112 Cl8 N8 O16 S8 -","8","1","BG2479","Venugopala, K. N.; Nayak, Susanta K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(2-(Benzo[<i>d</i>]thiazol-2yl-methoxy)-5-chlorophenyl)(phenyl)methanone","Acta Crystallographica Section E","2012","68","11","o3125","","10.1107/S1600536812041888","","","0.71073","MoKα","","0.076","0.0588","","","0.194","0.1997","","","","","","1.295","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236085","11.5421","0.0002","17.3191","0.0003","26.6667","0.0005","90","","90","","90","","5330.64","0.16","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methylphenyl quinoline-2-carboxylate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C272 H208 N16 O32 -","16","2","BQ2377","Fazal, E.; Jasinski, Jerry P.; Krauss, Shannon T.; Sudha, B. S.; Yathirajan, H. S.","4-Methylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2012","68","11","o3231","o3232","10.1107/S1600536812044030","","","1.54184","CuKα","","0.0561","0.0442","","","0.1141","0.1239","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236091","15.7324","0.0006","10.7988","0.0005","20.4877","0.0011","90","","90","","90","","3480.7","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-[2-(3,4-Dimethoxybenzoyl)benzoyl]thiophene","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C160 H128 O32 S8 -","8","1","BT5963","Ganesh, G.; Sivasakthikumaran, R.; Govindan, E.; Krishnan, A. K. Mohana; SubbiahPandi, A.","(3,4-Dimethoxyphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","Acta Crystallographica Section E","2012","68","10","o2844","","10.1107/S1600536812037336","","","0.71073","MoKα","","0.0689","0.0397","","","0.0927","0.1074","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236098","11.3835","0.0009","16.984","0.0013","18.4766","0.0014","90","","90","","90","","3572.2","0.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3- dicarbonitrile","","- C20 H18 Cl N3 -","- C20 H18 Cl N3 -","- C160 H144 Cl8 N24 -","8","1","BT5985","Rajni Swamy, V.; Srinivasan, N.; Ranjith Kumar, R.; Krishnakumar, R.V.","2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile","Acta Crystallographica Section E","2012","68","9","o2692","","10.1107/S1600536812034861","","","0.71073","MoKα","","0.0554","0.0445","","","0.1264","0.1365","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236103","10.9155","0.0002","9.4056","0.0002","25.0422","0.0005","90","","90","","90","","2571","0.09","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[(<i>E</i>)-(4-Ethoxyphenyl)iminomethyl]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C120 H120 N8 O16 -","8","1","BT5991","Khalaji, Aliakbar Dehno; Fejfarová, Karla; Dušek, Michal","4-[(<i>E</i>)-(4-Ethoxyphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","9","o2646","","10.1107/S1600536812034253","","","1.5418","CuKα","","0.0339","0.0306","","","0.0998","0.1033","","","","","","1.71","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236110","13.0069","0.0011","10.0775","0.0009","22.408","0.002","90","","90","","90","","2937.2","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C112 H104 Cl16 N8 O16 S8 -","8","1","BT6820","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","2,5-Dichloro-<i>N</i>-(2,3-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","9","o2748","","10.1107/S1600536812035787","","","0.71073","MoKα","","0.058","0.0357","","","0.0806","0.0901","","","","","","0.98","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236113","16.8415","0.0009","14.1497","0.0007","18.6919","0.0008","90","","90","","90","","4454.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","","- C25 H23 Cl2 P Ru -","- C25 H23 Cl2 P Ru -","- C200 H184 Cl16 P8 Ru8 -","8","1","BT6823","Muller, Alfred; Davis, Wade L.","(η^6^-Benzene)(benzyldiphenylphosphane)dichloridoruthenium(II)","Acta Crystallographica Section E","2012","68","10","m1232","m1233","10.1107/S1600536812037154","","","0.71073","MoKα","","0.0586","0.0316","","","0.0601","0.0685","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236124","17.2328","0.0012","8.1885","0.0006","23.7049","0.0017","90","","90","","90","","3345","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C16 H15 I O4 S -","- C16 H15 I O4 S -","- C128 H120 I8 O32 S8 -","8","1","BT6834","Viswanathan, Vijayan; Srinivasan, Thothadri; Thirunarayanan, Ayyavu; Rajakumar, Perumal; Velmurugan, Devadasan","(<i>E</i>)-1-(5-Iodothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2012","68","10","o2921","","10.1107/S1600536812038226","","","0.71073","MoKα","","0.0369","0.0252","","","0.0576","0.0622","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236149","16.3842","0.0004","13.1678","0.0003","21.2743","0.0004","90","","90","","90","","4589.8","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI)","","- C19 H18 N6 O8 U -","- C19 H18 N6 O8 U -","- C152 H144 N48 O64 U8 -","8","1","CV5297","Mishkevich, Vitalii I.; Grigoriev, Mikhail S.; Fedosseev, Alexandre M.; Moisy, Philippe","Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI)","Acta Crystallographica Section E","2012","68","10","m1243","","10.1107/S1600536812035465","","","0.71073","MoKα","","0.0907","0.0354","","","0.061","0.0749","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236184","9.8514","0.001","8.9757","0.0007","21.917","0.003","90","","90","","90","","1938","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","FF2083","Lin, Hong-Yi; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","3-Oxo-2,3-dihydro-1<i>H</i>-inden-4-yl acetate","Acta Crystallographica Section E","2012","68","11","o3075","o3076","10.1107/S1600536812041293","","","0.71073","MoKα","","0.1386","0.0873","","","0.2122","0.2314","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236205","16.8172","0.0007","15.7033","0.0007","19.908","0.001","90","","90","","90","","5257.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O3 -","- C32 H37 N O3 -","- C256 H296 N8 O24 -","8","1","FY2066","Sughanya, V.; Sureshbabu, N.","10-Benzyl-9-(4-ethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2012","68","9","o2755","","10.1107/S1600536812036094","","","0.71073","MoKα","","0.0732","0.0442","","","0.1085","0.1275","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236248","12.1721","0.0005","7.7697","0.0003","27.22","0.0008","90","","90","","90","","2574.29","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-Benzylidenebenzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol- 3(2<i>H</i>)-one","","- C16 H10 N2 O S -","- C16 H10 N2 O S -","- C128 H80 N16 O8 S8 -","8","1","HB6910","Fun, Hoong-Kun; Quah, Ching Kheng; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.","(<i>Z</i>)-2-Benzylidenebenzo[<i>d</i>]thiazolo[3,2-<i>a</i>]imidazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","9","o2705","","10.1107/S1600536812035003","","","1.54178","CuKα","","0.0529","0.0456","","","0.1205","0.1269","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236261","18.663","0.0016","17.1713","0.0015","22.5648","0.0019","90","","90","","90","","7231.3","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2-Diphenyl-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","","- C20 H14 Cl3 N O -","- C20 H14 Cl3 N O -","- C320 H224 Cl48 N16 O16 -","16","2","HB6924","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2,2-Diphenyl-<i>N</i>-(2,4,5-trichlorophenyl)acetamide","Acta Crystallographica Section E","2012","68","9","o2659","o2660","10.1107/S160053681203440X","","","0.71073","MoKα","","0.0808","0.0467","","","0.0992","0.1136","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236283","11.517","0.0014","13.9586","0.0015","26.413","0.003","90","","90","","90","","4246.2","0.8","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca- 5,11-diene-5,6,11,12-tetracarboxylate","","- C22 H24 O10 -","- C22 H24 O10 -","- C176 H192 O80 -","8","1","HB6952","Lough, Alan J.; Jack, Kelsey; Tam, William","Tetramethyl 1,4-dimethyl-13,14-dioxapentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate","Acta Crystallographica Section E","2012","68","10","o2961","","10.1107/S1600536812039219","","","0.71073","MoKα","","0.0799","0.0415","","","0.0854","0.0957","","","","","","0.895","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236323","12.1599","0.0007","9.6153","0.0004","16.2345","0.0008","90","","90","","90","","1898.16","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(1<i>H</i>-Indol-3-yl)acetohydrazide","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C80 H88 N24 O8 -","8","1","HG5253","Sidra, Lala Rukh; Khan, Islam Ullah; Yar, Muhammad; Simpson, Jim","2-(1<i>H</i>-Indol-3-yl)acetohydrazide","Acta Crystallographica Section E","2012","68","11","o3140","o3141","10.1107/S1600536812041694","","","0.71073","MoKα","","0.0999","0.0457","","","0.1013","0.1219","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236345","12.702","0.008","7.178","0.004","25.368","0.015","90","","90","","90","","2313","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","","- C14 H8 O4 Zn -","- C14 H8 O4 Zn -","- C112 H64 O32 Zn8 -","8","1","HY2581","Tian, Yu-Guang","Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]","Acta Crystallographica Section E","2012","68","10","m1276","","10.1107/S1600536812038901","","","0.71073","MoKα","","0.066","0.0364","","","0.0719","0.0856","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236378","13.0973","0.0006","8.6104","0.0004","24.5948","0.0012","90","","90","","90","","2773.6","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C136 H120 F8 N16 O8 -","8","1","IS5177","Fun, Hoong-Kun; Ooi, Chin Wei; Sapnakumari, M.; Narayana, B.; Sarojini, B. K.","1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","9","o2634","","10.1107/S1600536812033971","","","0.71073","MoKα","","0.0478","0.0392","","","0.1048","0.1125","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236423","9.9493","0.0005","14.7107","0.0008","26.6871","0.0017","90","","90","","90","","3906","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl] benzenesulfonamide","","- C20 H17 F2 N O4 S2 -","- C20 H17 F2 N O4 S2 -","- C160 H136 F16 N8 O32 S16 -","8","1","LD2072","Mughal, Shumaila Younas; Khan, Islam Ullah; Harrison, William T. A.; Khan, Muneeb Hayat; Tahir, Muhammad Nawaz","<i>N</i>-(2,3-Dimethylphenyl)-4-fluoro-<i>N</i>-[(4-fluorophenyl)sulfonyl]benzenesulfonamide","Acta Crystallographica Section E","2012","68","10","o2973","","10.1107/S1600536812039402","","","0.71073","MoKα","","0.0813","0.0484","","","0.1152","0.1334","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236496","19.0732","0.0018","11.6191","0.0011","19.693","0.003","90","","90","","90","","4364.2","0.9","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-\ bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-\ diylbis(nitrilomethanylylidene)]diphenolato}-\ 1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>'; 2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)","","- C42 H42 Cl4 Cu3 N4 O8 -","- C42 H42 Cl4 Cu3 N4 O8 -","- C168 H168 Cl16 Cu12 N16 O32 -","4","0.5","MW2092","Kubono, Koji; Tani, Keita; Yokoi, Kunihiko","Di-μ~2~-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-bis{μ~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricopper(II)","Acta Crystallographica Section E","2012","68","11","m1430","m1431","10.1107/S1600536812044315","","","0.71069","MoKα","","","0.035","","","","0.1048","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236507","15.62","0.003","14.598","0.003","18.616","0.004","90","","90","","90","","4244.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^5^]","","- C23 H20 Cu N4 O6 -","- C23 H20 Cu N4 O6 -","- C184 H160 Cu8 N32 O48 -","8","1","NG5281","Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan","<i>catena</i>-Poly[[(1,3-dimethylimidazolin-2-one-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section E","2012","68","9","m1140","","10.1107/S160053681203111X","","","0.71073","MoKα","","0.0859","0.0467","","","0.0962","0.1087","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236524","17.9308","0.0005","7.1881","0.0002","19.8333","0.0006","90","","90","","90","","2556.28","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","","- C11 H17 N O4 S -","- C11 H17 N O4 S -","- C88 H136 N8 O32 S8 -","8","1","NK2181","Mushtaq, Nafeesa; Khan, Islam Ullah; Yar, Muhammad; Afzal, Sadia; Simpson, Jim","<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2012","68","11","o3142","","10.1107/S1600536812041682","","","0.71073","MoKα","","0.0677","0.0502","","","0.1443","0.1611","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236547","11.5164","0.0008","10.1427","0.0005","19.9054","0.0011","90","","90","","90","","2325.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide","","- C8 H5 Cl3 N2 O3 -","- C8 H5 Cl3 N2 O3 -","- C64 H40 Cl24 N16 O24 -","8","1","PV2576","Prabhu, A. N.; Upadhyaya, V.; Girisha, K. S.; Naveena, C. S.; Guru Row, T. N.","2,2,2-Trichloro-<i>N</i>-(3-nitrophenyl)acetamide","Acta Crystallographica Section E","2012","68","10","o2832","","10.1107/S1600536812036732","","","0.71073","MoKα","","0.0754","0.0491","","","0.1321","0.1443","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236586","7.9389","0.0002","13.146","0.0004","22.7952","0.0007","90","","90","","90","","2379.02","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","7<i>H</i>-[1,2]Benzothiazolo[3,2-<i>b</i>]quinazoline 5,5-dioxide","","- C14 H10 N2 O2 S -","- C14 H10 N2 O2 S -","- C112 H80 N16 O16 S8 -","8","1","RK2382","Narayanan, Ponmudisettu; Karthikeyan, Subramani; Srinivasan, Panayancheri Coleppa; Sethusankar, Krishnan","7<i>H</i>-[1,2]Benzothiazolo[3,2-<i>b</i>]quinazoline 5,5-dioxide","Acta Crystallographica Section E","2012","68","11","o3082","","10.1107/S1600536812040871","","","0.71073","MoKα","","0.0408","0.0336","","","0.1111","0.1216","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236654","6.945","0.001","5.542","0.001","17.238","0.003","90","","90","","90","","663.48","0.19","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Dibromobutane-2,3-dione","","- C4 H4 Br2 O2 -","- C4 H4 Br2 O2 -","- C16 H16 Br8 O8 -","4","0.5","SU2517","Zai, De-Xin","1,4-Dibromobutane-2,3-dione","Acta Crystallographica Section E","2012","68","11","o3245","","10.1107/S1600536812044200","","","0.71073","MoKα","","0.1332","0.0648","","","0.0869","0.1076","","","","","","0.927","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236677","16.5055","0.0004","8.8068","0.0002","16.669","0.0004","90","","90","","90","","2423.02","0.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione monohydrate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","TK5162","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","3-Ethyl-3-hydroxy-8-methoxyquinoline-2,4(1<i>H</i>,3<i>H</i>)-dione monohydrate","Acta Crystallographica Section E","2012","68","11","o3199","o3200","10.1107/S1600536812043280","","","0.71073","MoKα","","0.0685","0.0442","","","0.1147","0.1274","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236689","11.482","0.007","17.648","0.01","20.771","0.012","90","","90","","90","","4209","4","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Acetyldicarbonyl(η^5^- cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","","- C22 H21 Mo O3 P -","- C22 H21 Mo O3 P -","- C176 H168 Mo8 O24 P8 -","8","1","WM2666","Whited, Matthew T.; Boerma, Joseph W.; McClellan, Michael J.; Padilla, Christian E.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)","Acta Crystallographica Section E","2012","68","9","m1158","m1159","10.1107/S1600536812034307","","","0.71075","MoKα","","","0.0318","","","","0.0723","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236700","18.6794","0.0004","7.5317","0.0002","21.9757","0.0005","90","","90","","90","","3091.71","0.13","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate","","- C12 H18 Cu N4 O5 S -","- C12 H16 Cu N4 O5 S -","- C96 H128 Cu8 N32 O40 S8 -","8","1","WM2682","Djebli, Yacine; Boufas, Sihem; Bencharif, Leila; Roisnel, Thierry; Bencharif, Mustafa","Bis(benzene-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) monohydrate","Acta Crystallographica Section E","2012","68","11","m1411","m1412","10.1107/S1600536812041967","","","0.71073","MoKα","","0.047","0.0343","","","0.09","0.0966","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236713","8.323","0.005","10.002","0.005","30.068","0.005","90","","90","","90","","2503","2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-[4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenyl]-1<i>H</i>-benzimidazole","","- C15 H11 N5 -","- C15 H11 N5 -","- C120 H88 N40 -","8","1","XU5598","Cheng, Long-Huai; Zheng, Zheng; Han, Zhi-Li; Wu, Zhi-Chao; Zhou, Hong-Ping","2-[4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2012","68","10","o2890","","10.1107/S1600536812037816","","","0.71069","MoKα","","0.0743","0.049","","","0.1462","0.1711","","","","","","1.147","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236716","12.3996","0.0002","21.0115","0.0004","26.7059","0.0005","90","","90","","90","","6957.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]- μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]","","- C15 H13 Cu N7 O2 -","- C15 H13 Cu N7 O2 -","- C240 H208 Cu16 N112 O32 -","16","2","XU5601","Kunnath, Roji J.; Prathapachandra Kurup, M.R.; Ng, Seik Weng","<i>catena</i>-Poly[[[{1-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]semicarbazidato-κ^2^<i>N</i>^1^,<i>O</i>}copper(II)]-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^] monohydrate]","Acta Crystallographica Section E","2012","68","9","m1176","","10.1107/S1600536812035283","","","0.71073","MoKα","","0.0933","0.0497","","","0.1263","0.1664","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236720","7.3661","0.0004","9.5504","0.0005","12.8501","0.0007","90","","90","","90","","903.99","0.08","135","0.1","135","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Pyrrolidine-2,5-dione","","- C4 H5 N O2 -","- C4 H5 N O2 -","- C32 H40 N8 O16 -","8","1","XU5605","Yu, Min; Huang, Xing; Gao, Feng","Pyrrolidine-2,5-dione","Acta Crystallographica Section E","2012","68","9","o2738","","10.1107/S1600536812035672","","","0.7107","MoKα","","0.0506","0.0392","","","0.0891","0.0969","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236764","8.254","0.0004","11.5489","0.0004","26.1962","0.0011","90","","90","","90","","2497.14","0.18","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","","- C13 H12 F N3 O2 -","- C13 H12 F N3 O2 -","- C104 H96 F8 N24 O16 -","8","1","ZL2494","Nair, Yamuna; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-(3-Fluoropyridin-2-yl)methylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","9","o2709","","10.1107/S1600536812035179","","","0.71073","MoKα","","0.0408","0.0319","","","0.0855","0.0962","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236770","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","7-Methoxyindan-1-one","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","ZL2507","Chang, Yuan Jay; Chen, Kew-Yu","7-Methoxyindan-1-one","Acta Crystallographica Section E","2012","68","11","o3063","","10.1107/S1600536812040743","","","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236771","11.7408","0.0002","13.3554","0.0002","37.5523","0.0008","90","","90","","90","","5888.32","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C240 H360 N24 O48 -","24","3","ZL2508","Molokoane, Pule P.; Schutte, M.; Steyl, G.","2-Ethyl-3-hydroxy-1-isopropyl-4-pyridone","Acta Crystallographica Section E","2012","68","11","o3235","o3236","10.1107/S1600536812044091","","","0.71073","MoKα","","0.0548","0.0414","","","","0.1111","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236784","6.8604","0.0002","9.4534","0.0003","16.4789","0.0006","90","","90","","90","","1068.72","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","0.5","ZS2214","Wang, Qian; Zhao, Xiao-Li","4-[4-(1<i>H</i>-Imidazol-4-yl)phenyl]-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","9","o2618","","10.1107/S1600536812032485","","","0.71073","MoKα","","0.0425","0.0317","","","0.0877","0.0958","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236827","7.6404","0.0003","15.1703","0.0007","15.9168","0.0007","90","","90","","90","","1844.87","0.14","120","0.14","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","BT6866","Rivera, Augusto; Jiménez-Cruz, Leonardo; Maldonado, Mauricio; Kučeráková, Monika; Dušek, Michal","2,2'-[1,2-Phenylenebis(azanediyl)]diacetonitrile","Acta Crystallographica Section E","2012","68","12","o3429","","10.1107/S1600536812047538","","","1.5418","CuKα","","0.0477","0.0393","","","0.0991","0.1043","","","","","","1.55","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236845","11.4447","0.0011","7.1447","0.0007","12.803","0.0012","90","","90","","90","","1046.89","0.17","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,5-diaminopyridine","Pyridine-2,5-diamine","","- C5 H7 N3 -","- C5 H7 N3 -","- C40 H56 N24 -","8","1","CV5359","Draguta, Sergiu; Khrustalev, Victor N.; Fonari, Marina S.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Pyridine-2,5-diamine","Acta Crystallographica Section E","2012","68","12","o3353","","10.1107/S1600536812046260","","","0.71073","MoKα","","0.0582","0.0415","","","0.0994","0.1094","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236851","8.447","0.005","18.454","0.014","21.735","0.015","90","","90","","90","","3388","4","291","2","291","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2a<i>R</i>*,5<i>S</i>*,6a<i>S</i>*,8a<i>S</i>*,<i>E</i>)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1<i>H</i>- pentaleno[1,6-<i>bc</i>]oxepine-4-carboxylate","","- C17 H24 O5 -","- C17 H24 O5 -","- C136 H192 O40 -","8","1","DS2220","Mehta, Goverdhan; Kumar, C. S. Ananda; Sen, Saikat","(2a<i>R</i>*,5<i>S</i>*,6a<i>S</i>*,8a<i>S</i>*,<i>E</i>)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1<i>H</i>-pentaleno[1,6-<i>bc</i>]oxepine-4-carboxylate","Acta Crystallographica Section E","2012","68","12","o3392","o3393","10.1107/S1600536812046776","","","0.71073","MoKα","","0.1432","0.0532","","","0.1218","0.1485","","","","","","0.885","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236961","6.894","0.0006","13.2079","0.0011","20.0964","0.0016","90","","90","","90","","1829.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","LH5559","Koh, Dongsoo","8-Methoxy-2<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2012","68","12","o3419","","10.1107/S1600536812047319","","","0.71073","MoKα","","0.0994","0.051","","","0.1208","0.1578","","","","","","0.922","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236989","14.1479","0.0017","8.6567","0.0011","22.57","0.003","90","","90","","90","","2764.2","0.6","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C120 H112 N16 O32 -","8","1","PV2594","Taha, Muhammad; Baharudin, M. Syukri.; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","<i>N</i>'-[(<i>E</i>)-2,3-Dihydroxybenzylidene]-2-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","12","o3256","","10.1107/S1600536812042390","","","0.71073","MoKα","","0.0761","0.0424","","","0.0973","0.1147","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236998","9.6545","0.0011","20.363","0.002","31.804","0.003","90","","90","","90","","6252.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]- 11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa- 1(20),13,15,17(21),18-pentaene-9-carboxylate","","- C37 H34 N2 O7 -","- C37 H34 N2 O7 -","- C296 H272 N16 O56 -","8","1","PV2604","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","Methyl 12-hydroxy-10-[1-(4-methoxyphenyl)-2-oxo-3-phenoxyazetidin-4-yl]-11-oxa-3-azahexacyclo[11.7.1.0^2,9^.0^2,12^.0^3,7^.0^17,21^]henicosa-1(20),13,15,17(21),18-pentaene-9-carboxylate","Acta Crystallographica Section E","2012","68","12","o3329","o3330","10.1107/S1600536812045795","","","0.71073","MoKα","","0.0971","0.0468","","","0.1038","0.1265","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237052","8.998","0.003","8.4","0.003","24.643","0.007","90","","90","","90","","1862.6","1.1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4-Dichloro-2,3-bis(chloromethyl)butane","","- C6 H10 Cl4 -","- C6 H10 Cl4 -","- C48 H80 Cl32 -","8","1","TK5174","Cordes, David B.; Aitken, Kati M.; Aitken, R. Alan","1,4-Dichloro-2,3-bis(chloromethyl)butane","Acta Crystallographica Section E","2012","68","12","o3495","","10.1107/S1600536812048398","","","0.71073","MoKα","","0.0319","0.03","","","0.0736","0.0748","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237085","9.908","0.002","10.398","0.002","11.176","0.002","90","","90","","90","","1151.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cyanomethanaminium perchlorate","","- C2 H5 Cl N2 O4 -","- C2 H5 Cl N2 O4 -","- C16 H40 Cl8 N16 O32 -","8","1","XU5654","Quan, Jing","Cyanomethanaminium perchlorate","Acta Crystallographica Section E","2012","68","12","o3480","","10.1107/S1600536812047782","","","0.71073","MoKα","","0.0392","0.0344","","","0.0936","0.096","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237129","16.9888","0.0006","5.4501","0.0002","19.735","0.0008","90","","90","","90","","1827.28","0.12","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-Phenyloxane-2,4-dione","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","BX2433","Slater, Kara A.; Andersh, Brad; Flint, Edward B.; Ferrence, Gregory M.","6-Phenyloxane-2,4-dione","Acta Crystallographica Section E","2013","69","1","o69","","10.1107/S1600536812049781","","","0.71073","MoKα","","0.0721","0.0465","","","","0.1136","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237130","7.9657","0.0005","11.347","0.0007","23.513","0.002","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Glycine‒phthalic acid (1/1)","2-Azaniumylethanoate‒phthalic acid (1/1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","CV5360","Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.","Glycine‒phthalic acid (1/1)","Acta Crystallographica Section E","2013","69","1","o57","","10.1107/S160053681204977X","","","0.71073","MoKα","","0.0446","0.0342","","","0.086","0.0903","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237135","11.479","0.0004","14.0461","0.0005","14.3702","0.0007","90","","90","","90","","2316.98","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrophenyl 2-chlorobenzoate","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C104 H64 Cl8 N8 O32 -","8","1","FF2092","Iqbal, Asma; Akhter, Toheed; Masood Siddiqi, Humaira; Akhter, Zareen; Bolte, Michael","4-Nitrophenyl 2-chlorobenzoate","Acta Crystallographica Section E","2013","69","1","o96","","10.1107/S1600536812050362","","","0.71073","MoKα","","0.048","0.0441","","","0.1026","0.1049","","","","","","1.135","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237149","18.371","0.003","10.4844","0.0015","18.467","0.003","90","","90","","90","","3556.9","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-3-Benzyloxy-1-(4-methoxybenzyl)piperidine-2-thione","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C160 H184 N8 O16 S8 -","8","1","GO2079","Pienaar, Daniel P.; Khorasani, Sanaz; de Koning, Charles B.; Michael, Joseph P.","(±)-3-Benzyloxy-1-(4-methoxybenzyl)piperidine-2-thione","Acta Crystallographica Section E","2013","69","1","o21","","10.1107/S1600536812048854","","","0.71073","MoKα","","0.0674","0.0374","","","0.0871","0.0981","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237286","22.166","0.0004","12.7349","0.0002","23.3951","0.0004","90","","90","","90","","6604.01","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-(4-methylpiperazin-4-ium-1-yl)-10<i>H</i>- thieno[2,3-<i>b</i>][1,5]benzodiazepinium bis(2,4,6-trinitrophenolate)","","- C29 H26 N10 O14 S -","- C29 H26 N10 O14 S -","- C232 H208 N80 O112 S8 -","8","1","BV2217","Kavitha, C. N.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Dayananda, A. S.","Olanzapinium dipicrate","Acta Crystallographica Section E","2013","69","2","o232","o233","10.1107/S1600536813000640","","","1.54184","CuKα","","0.0464","0.0383","","","0.1004","0.1066","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237296","12.107","0.004","16.945","0.005","27.37","0.009","90","","90","","90","","5615","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>R</i>*,4a<i>R</i>*,7a<i>S</i>*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylic acid","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C272 H240 N16 O64 -","16","2","CV5382","Horak, Yuriy I.; Lytvyn, Roman Z.; Zubkov, Fedor I.; Nikitina, Eugeniya V.; Homza, Yuriy V.; Lis, Tadeusz; Kinzhybalo, Vasyl; Obushak, Mykola D.","(4<i>R</i>*,4a<i>R</i>*,7a<i>S</i>*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylic acid","Acta Crystallographica Section E","2013","69","2","o273","o274","10.1107/S160053681300144X","","","0.71073","MoKα","","0.0658","0.044","","","0.1192","0.1272","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237301","11.6168","0.0004","12.7385","0.0005","21.2429","0.0008","90","","90","","90","","3143.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>SR</i>,3<i>RS</i>,3a<i>SR</i>,6a<i>RS</i>)-Methyl 5-methyl-4,6-dioxo-3-[2-(trifluoromethyl)phenyl]octahydropyrrolo[3,4- <i>c</i>]pyrrole-1-carboxylate","","- C16 H15 F3 N2 O4 -","- C16 H15 F3 N2 O4 -","- C128 H120 F24 N16 O32 -","8","1","FF2094","Kudryavtsev, Konstantin V.; Ivantcova, Polina M.; Churakov, Andrei V.","(1<i>SR</i>,3<i>RS</i>,3a<i>SR</i>,6a<i>RS</i>)-Methyl 5-methyl-4,6-dioxo-3-[2-(trifluoromethyl)phenyl]octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","Acta Crystallographica Section E","2013","69","2","o161","o162","10.1107/S1600536812051471","","","0.71073","MoKα","","0.0522","0.0412","","","0.1074","0.1153","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237324","13.4466","0.0002","10.6921","0.0002","27.2057","0.0005","90","","90","","90","","3911.43","0.12","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-hydroxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)- 2,3-dihydro-1<i>H</i>-indol-2-one","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","HB7013","Penthala, Narsimha Reddy; Crooks, Peter A.","<i>rac</i>-<i>N</i>-Benzylisatincreatinine (unknown solvate)","Acta Crystallographica Section E","2013","69","2","o290","o291","10.1107/S1600536813000378","","","1.54178","CuKα","","0.04","0.0378","","","0.1023","0.1039","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237373","12.8391","0.0015","11.0697","0.0013","35.897","0.004","90","","90","","90","","5101.9","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(4-Chloroacetanilido-κ^2^<i>N</i>,<i>O</i>)bis[2-(pyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C30 H23 Cl Ir N3 O -","- C30 H23 Cl Ir N3 O -","- C240 H184 Cl8 Ir8 N24 O8 -","8","1","PK2461","Sun, Lijun; Zhang, Songlin; Song, Qijun","(4-Chloroacetanilido-κ^2^<i>N</i>,<i>O</i>)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2013","69","2","m98","","10.1107/S1600536813000433","","","0.7107","MoKα","","0.0691","0.0575","","","0.095","0.099","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237387","15.4611","0.0019","14.2436","0.0018","20.886","0.003","90","","90","","90","","4599.6","1","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato- κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)calcium methanol tetrasolvate","","- C46 H54 Ca F4 O12 -","- C46 H54 Ca F4 O12 -","- C184 H216 Ca4 F16 O48 -","4","0.5","RU2047","Kim, Namseok; Noh, Heeso; Yoon, Sungho; Park, Chan Ryang","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)calcium methanol tetrasolvate","Acta Crystallographica Section E","2013","69","2","m122","m123","10.1107/S1600536813000044","","","0.71073","MoKα","","0.164","0.0636","","","0.1245","0.1645","","","","","","0.978","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237393","12.583","0.0007","9.8335","0.0005","23.6377","0.0013","90","","90","","90","","2924.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","RZ5038","Baharudin, M. Syukri; Taha, Muhammad; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2013","69","2","o276","","10.1107/S160053681300175X","","","0.71073","MoKα","","0.0622","0.0444","","","0.1105","0.1235","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237411","13.5472","0.0002","14.4747","0.0004","35.7902","0.0006","90","","90","","90","","7018.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>b</i>]thiophene-3-carbonitrile","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C336 H288 N32 O16 S16 -","16","2","TK5186","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Sobahi, Tariq R.; Mustafa, Ghulam","2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section E","2013","69","2","o193","","10.1107/S160053681300007X","","","1.54184","CuKα","","0.0723","0.054","","","0.1441","0.1614","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237427","13.625","0.013","7.495","0.007","17.029","0.017","90","","90","","90","","1739","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Bromo-<i>N</i>-{(<i>E</i>)-3-[(4-bromo-2- methylphenyl)imino]butan-2-ylidene}-2-methylaniline","","- C18 H18 Br2 N2 -","- C18 H18 Br2 N2 -","- C72 H72 Br8 N8 -","4","0.5","XU5666","Yao, Jin-Li; Zhang, Xu; Li, Hong-Yan; Ye, Jian-Qing","(<i>E</i>)-4-Bromo-<i>N</i>-{(<i>E</i>)-3-[(4-bromo-2-methylphenyl)imino]butan-2-ylidene}-2-methylaniline","Acta Crystallographica Section E","2013","69","2","o199","","10.1107/S1600536812052087","","","0.71073","MoKα","","0.1264","0.0523","","","0.0884","0.1134","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237468","14.7121","0.0015","17.5133","0.0019","28.912","0.003","90","","90","","90","","7449.4","1.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,17-Diformyl-25,26,27,28-tetrapropoxycalix[4]arene","","- C42 H48 O6 -","- C42 H48 O6 -","- C336 H384 O48 -","8","1","FJ2615","Li, Zhengyi; Ma, Hongzhao; Lai, Yuan; Chen, Liang; Sun, Xiaoqiang","5,17-Diformyl-25,26,27,28-tetrapropoxycalix[4]arene","Acta Crystallographica Section E","2013","69","3","o424","","10.1107/S1600536813004625","","","0.71073","MoKα","","0.1179","0.0655","","","0.1903","0.22","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237502","10.292","0.0005","12.5518","0.0006","22.5857","0.0009","90","","90","","90","","2917.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-1<i>H</i>-1,2,3-benzotriazol-3-ium tetrachloridoferrate(III)","","- C8 H10 Cl4 Fe N3 -","- C8 H10 Cl4 Fe N3 -","- C64 H80 Cl32 Fe8 N24 -","8","1","HY2615","Sun, Zan; Hu, Dong-Cheng; Liu, Jia-Cheng","1,3-Dimethyl-1<i>H</i>-1,2,3-benzotriazol-3-ium tetrachloridoferrate(III)","Acta Crystallographica Section E","2013","69","3","m148","","10.1107/S1600536813003711","","","0.71073","MoKα","","0.0923","0.0566","","","0.1516","0.1825","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237555","11.3779","0.0008","8.0954","0.0006","27.3371","0.0018","90","","90","","90","","2518","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Methoxy-5-(pyrimidin-2-yl)phenyl]pyrimidine","","- C15 H12 N4 O -","- C15 H12 N4 O -","- C120 H96 N32 O8 -","8","1","SJ5297","Hu, Jiena; Wu, Yang; Zhang, Dengqing; Li, Xianying; Jin, Wusong","2-[3-Methoxy-5-(pyrimidin-2-yl)phenyl]pyrimidine","Acta Crystallographica Section E","2013","69","3","o333","","10.1107/S1600536813002663","","","0.71073","MoKα","","0.051","0.0441","","","0.1154","0.1226","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237558","13.9211","0.0008","8.6383","0.0004","21.5316","0.0007","90","","90","","90","","2589.3","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methoxy-2-trifluoromethyl-1<i>H</i>-indole-3-carboxylate","","- C13 H12 F3 N O3 -","- C13 H12 F3 N O3 -","- C104 H96 F24 N8 O24 -","8","1","SU2553","Crochet, Aurelien; Alimi, Isak; Bochet, Christian G.; Fromm, Katharina M.","Ethyl 5-methoxy-2-trifluoromethyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2013","69","3","o339","","10.1107/S1600536813002614","","","1.54186","CuKα","","0.0411","0.0373","","","0.0948","0.0966","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237571","8.3246","0.0003","14.9567","0.0006","16.4461","0.0007","90","","90","","90","","2047.68","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Allyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C80 H72 N24 O24 -","8","1","TK5200","Ouzidan, Younès; Kandri Rodi, Youssef; Kandri Rodi, Adiba; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","3","o431","","10.1107/S1600536813004790","","","0.71073","MoKα","","0.0725","0.0565","","","0.1533","0.1681","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237586","10.586","0.003","9.248","0.003","10.826","0.003","90","","90","","90","","1059.9","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>rac</i>-3,3,3-Trifluorolactic acid","<i>rac</i>-3,3,3-Trifluoro-2-hydroxypropanoic acid","","- C3 H3 F3 O3 -","- C3 H3 F3 O3 -","- C24 H24 F24 O24 -","8","1","ZL2532","Gerber, Thomas; Betz, Richard","<i>rac</i>-3,3,3-Trifluorolactic acid","Acta Crystallographica Section E","2013","69","3","o336","","10.1107/S1600536813003097","","","0.71073","MoKα","","0.0368","0.0306","","","0.0768","0.0813","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237683","11.9379","0.0003","10.3704","0.0003","16.7018","0.0005","90","","90","","90","","2067.7","0.1","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3-azaniumylpyridin-1-ium) hexachloridostannate(IV) dichloride","","- C10 H16 Cl8 N4 Sn -","- C10 H16 Cl8 N4 Sn -","- C40 H64 Cl32 N16 Sn4 -","4","0.5","PK2471","van Megen, Martin; Prömper, Stephan; Reiss, Guido J.","Bis(3-azaniumylpyridin-1-ium) hexachloridostannate(IV) dichloride","Acta Crystallographica Section E","2013","69","4","m217","","10.1107/S1600536813006806","","","0.71073","MoKα","","0.031","0.0204","","","0.0414","0.0439","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237715","12.1746","0.0011","13.9614","0.0013","20.2985","0.0019","90","","90","","90","","3450.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine","","- C18 H23 N5 -","- C18 H23 N5 -","- C144 H184 N40 -","8","1","SU2577","Fatima, Zeenat; Srinivasan, Thothadri; Koorathota, Suman; Thennarasu, Sathiah; Velmurugan, Devadasan","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine","Acta Crystallographica Section E","2013","69","4","o612","o613","10.1107/S1600536813007861","","","0.71073","MoKα","","0.0716","0.0487","","","0.1313","0.1475","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237738","16.8163","0.0003","9.8407","0.0002","17.2913","0.0004","90","","90","","90","","2861.44","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,9-Dimethyl-2,3-dihydrospiro[carbazole-1,2'-[1,3]dithiolan]-4(9<i>H</i>)-one","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C128 H136 N8 O8 S16 -","8","1","XU5690","Gülle, Sibel; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer","3,9-Dimethyl-2,3-dihydrospiro[carbazole-1,2'-[1,3]dithiolan]-4(9<i>H</i>)-one","Acta Crystallographica Section E","2013","69","4","o598","o599","10.1107/S1600536813007873","","","0.71073","MoKα","","0.0894","0.0752","","","0.1849","0.1948","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237745","15.7463","0.0002","21.8914","0.0003","28.6122","0.0004","90","","90","","90","","9862.9","0.2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride","","- C219 H204 Cl F9 O17 P16 Ru4 S3 -","- C219 H204 Cl F9 O17 P16 Ru4 S3 -","- C438 H408 Cl2 F18 O34 P32 Ru8 S6 -","2","0.25","ZS2249","Figueira, João; Rodrigues, João; Valkonen, Arto","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride","Acta Crystallographica Section E","2013","69","4","m226","","10.1107/S160053681300737X","","","0.71073","MoKα","","0.0774","0.0614","","","0.1406","0.1483","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237758","15.515","0.0006","12.9137","0.0006","17.8323","0.0006","90","","90","","90","","3572.8","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophenol‒1,3,5-triazine-2,4,6-triamine (2/1)","","- C15 H16 N8 O6 -","- C15 H16 N8 O6 -","- C120 H128 N64 O48 -","8","1","BH2476","Sangeetha, V.; Kanagathara, N.; Chakkaravarthi, G.; Marchewka, M.K.; Anbalagan, G.","3-Nitrophenol‒1,3,5-triazine-2,4,6-triamine (2/1)","Acta Crystallographica Section E","2013","69","6","o827","","10.1107/S1600536813011148","","","0.71073","MoKα","","0.0582","0.0417","","","0.1074","0.1189","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237771","10.4814","0.001","8.0528","0.0008","32.571","0.003","90","","90","","90","","2749.1","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline","","- C16 H18 N2 -","- C16 H18 N2 -","- C128 H144 N16 -","8","1","BT6904","Balachandar, R. K.; Kalainathan, S.; Eappen, Shibu M.; Podder, Jiban","<i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline","Acta Crystallographica Section E","2013","69","6","o905","","10.1107/S160053681301249X","","","0.71073","MoKα","","0.0981","0.061","","","0.1578","0.1865","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237772","10.6804","0.0004","7.5196","0.0003","29.1355","0.001","90","","90","","90","","2339.94","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C96 H80 Br8 N24 O8 -","8","1","BT6905","Nayak, Prakash S.; Narayana, B.; Jasinski, Jerry P.; Yathirajan, H. S.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2013","69","6","o891","","10.1107/S1600536813012531","","","1.54184","CuKα","","0.0397","0.0347","","","0.0905","0.0946","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237784","13.485","0.0004","15.7677","0.0004","16.7252","0.0004","90","","90","","90","","3556.24","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C19 H14 N2 O6 Zn -","- C19 H14 N2 O6 Zn -","- C152 H112 N16 O48 Zn8 -","8","1","CQ2004","Yotnoi, Bunlawee; Rujiwatra, Apinpus","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2013","69","6","m345","","10.1107/S1600536813014347","","","0.71073","MoKα","","0.0418","0.0283","","","0.0693","0.0747","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237804","15.6996","0.0017","8.8767","0.0009","29.591","0.003","90","","90","","90","","4123.8","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[2-(Trityloxy)phenyl]ethanone","","- C27 H22 O2 -","- C27 H22 O2 -","- C216 H176 O16 -","8","1","DS2228","Zhao, Pengying","1-[2-(Trityloxy)phenyl]ethanone","Acta Crystallographica Section E","2013","69","6","o918","","10.1107/S1600536813012956","","","0.71073","MoKα","","0.0772","0.0451","","","0.1101","0.1283","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237845","8.4669","0.0002","15.0636","0.0003","21.4516","0.0004","90","","90","","90","","2735.98","0.1","173","2","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4,5-Trimethoxy-4'-methylbiphenyl","","- C16 H18 O3 -","- C16 H18 O3 -","- C128 H144 O24 -","8","1","GO2088","Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami","3,4,5-Trimethoxy-4'-methylbiphenyl","Acta Crystallographica Section E","2013","69","5","o810","o811","10.1107/S1600536813010969","","","0.71069","MoKα","","0.0632","0.0431","","","0.1059","0.1172","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237867","8.159","0.0008","17.047","0.003","20.3974","0.0014","90","","90","","90","","2837","0.6","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(ethylenediamine) cobalt II chloride","Tris(ethylenediamine)cobalt(II) dichloride'","","- C6 H24 Cl2 Co N6 -","- C6 H24 Cl2 Co N6 -","- C48 H192 Cl16 Co8 N48 -","8","1","HB7079","Cooke, Kristin; Olenev, Andrei V.; Kovnir, Kirill","Tris(ethylenediamine)cobalt(II) dichloride","Acta Crystallographica Section E","2013","69","6","m332","","10.1107/S1600536813013135","","","1.54178","CuKα","","0.0288","0.0243","","","0.0574","0.0594","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237916","8.2175","0.0003","16.3257","0.0008","22.6793","0.001","90","","90","","90","","3042.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride","","- C4 H12 Cl Hg N7 S4 -","- C4 H12 Cl Hg N7 S4 -","- C32 H96 Cl8 Hg8 N56 S32 -","8","1","JJ2165","Shihabuddeen Syed, A.; Rajarajan, K.; NizamMohideen, M.","(Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride","Acta Crystallographica Section E","2013","69","6","i33","","10.1107/S1600536813011847","","","0.71073","MoKα","","0.0663","0.0355","","","0.0705","0.0816","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238006","27.251","0.004","7.4457","0.0006","11.99","0.009","90","","90","","90","","2432.8","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C112 H80 N16 O24 -","8","1","RZ5053","Centore, Roberto; Piccialli, Vincenzo; Tuzi, Angela","2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole","Acta Crystallographica Section E","2013","69","5","o667","o668","10.1107/S1600536813008970","","","0.71073","Mokα","","0.1687","0.0554","","","0.1378","0.1675","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238010","8.0542","0.0008","16.4104","0.0019","21.635","0.002","90","","90","","90","","2859.6","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C128 H120 N24 O16 -","8","1","RZ5057","Bassoude, Ibtissam; Berteina-Raboin, Sabine; Essassi, El Mokhtar; Guillaumet, Gérald; El Ammari, Lahcen","Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate","Acta Crystallographica Section E","2013","69","5","o740","","10.1107/S1600536813009902","","","0.71073","MoKα","","0.0801","0.052","","","0.1475","0.1697","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238011","6.686","0.0002","23.3658","0.0007","24.3281","0.0008","90","","90","","90","","3800.6","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(2-methoxyaniline-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C16 H18 Cd N4 O2 S2 -","- C16 H18 Cd N4 O2 S2 -","- C128 H144 Cd8 N32 O16 S16 -","8","1","RZ5058","Chemli, Rakia; Kamoun, Slaheddine; Roisnel, Thierry","<i>catena</i>-Poly[[bis(2-methoxyaniline-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2013","69","5","m292","m293","10.1107/S1600536813010738","","","0.71073","MoKα","","0.0379","0.0253","","","0.0504","0.055","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238068","11.2236","0.0002","13.4714","0.0004","16.5303","0.0004","90","","90","","90","","2499.34","0.11","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(pyridin-2-ylmethyl)ammonium nitrate","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C96 H112 N32 O24 -","8","1","VN2068","Abrahams, Abubak'r; van Brecht, Bernardus; Betz, Richard","Bis(pyridin-2-ylmethyl)ammonium nitrate","Acta Crystallographica Section E","2013","69","5","o661","","10.1107/S1600536813008593","","","0.71073","MoKα","","0.0502","0.0414","","","0.1145","0.1224","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238094","21.7784","0.0005","7.8573","0.0003","25.1034","0.0005","90","","90","","90","","4295.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","","- C17 H14 Cl4 N5 O P3 -","- C17 H14 Cl4 N5 O P3 -","- C136 H112 Cl32 N40 O8 P24 -","8","1","XU5701","Işıklan, Muhammet; Sonkaya, Ömer; Hökelek, Tuncer","4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","Acta Crystallographica Section E","2013","69","6","o861","o862","10.1107/S1600536813012348","","","0.71073","MoKα","","0.0935","0.0476","","","0.1051","0.1291","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238141","11.2203","0.0007","13.5658","0.0007","24.1946","0.0013","90","","90","","90","","3682.7","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)naphthalen-1-amine","","- C25 H19 N -","- C25 H19 N -","- C200 H152 N8 -","8","1","CV5411","Lee, Jae Kyun; Nam, Kee Dal; Cha, Joo Hwan; Cho, Yong Seo; Lee, Joon Kyun","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)naphthalen-1-amine","Acta Crystallographica Section E","2013","69","7","o1025","","10.1107/S1600536813014888","","","0.71075","MoKα","","0.1245","0.0611","","","0.1479","0.1968","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238155","9.4097","0.0005","9.2191","0.0005","18.7473","0.0009","90","","90","","90","","1626.31","0.15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine","","- C18 H24 N4 -","- C18 H24 N4 -","- C72 H96 N16 -","4","0.5","FJ2633","Goh, Christopher; Morris, Lilliana S.; Girouard, Michael P.; Chidanguro, Tamuka; Jasinski, Jerry P.","(2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine","Acta Crystallographica Section E","2013","69","7","o1101","","10.1107/S160053681301605X","","","1.5418","CuKα","","0.0477","0.0444","","","0.127","0.1311","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238176","12.29","0.008","13.548","0.009","17.24","0.011","90","","90","","90","","2871","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","HB7091","Sreenivasa, S.; Darshan, D.; Lohith, T. N.; Mamatha, G. R.; Palakshamurthy, B. S.; Suchetan, P. A.","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide","Acta Crystallographica Section E","2013","69","7","o1090","","10.1107/S1600536813015912","","","0.71073","MoKα","","0.0469","0.0391","","","0.0897","0.0948","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238180","12.8221","0.0006","10.7281","0.0004","16.3785","0.0006","90","","90","","90","","2252.97","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Acetyl-2,4-dimethylquinolin-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","HB7097","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Acetyl-2,4-dimethylquinolin-1-ium chloride","Acta Crystallographica Section E","2013","69","7","o1142","","10.1107/S160053681301684X","","","0.71073","MoKα","","0.043","0.0351","","","0.0911","0.0987","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238205","7.1508","0.001","12.307","0.0018","21.431","0.003","90","","90","","90","","1886","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate","","- C7 H8 B F4 N3 -","- C7 H8 B F4 N3 -","- C56 H64 B8 F32 N24 -","8","1","KQ2005","Wei, Siping; Wang, Li; Wang, Qin","2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate","Acta Crystallographica Section E","2013","69","7","o1051","","10.1107/S1600536813015535","","","0.71073","MoKα","","0.0844","0.0772","","","0.2331","0.2449","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238221","8.5174","0.0005","12.3094","0.0007","15.2597","0.0009","90","","90","","90","","1599.89","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","m-Xylylene dichloride","1,3-Bis(chloromethyl)benzene","","- C8 H8 Cl2 -","- C8 H8 Cl2 -","- C64 H64 Cl16 -","8","1","MW2106","Sanders, Marisa B.; Leon, David; Ndichie, Eddy I.; Chan, Benny C.","1,3-Bis(chloromethyl)benzene","Acta Crystallographica Section E","2013","69","7","o1150","","10.1107/S1600536813016383","","","0.71073","MoKα","","0.0265","0.0232","","","0.0623","0.0644","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238230","9.344","0.0019","11.352","0.002","25.719","0.005","90","","90","","90","","2728.1","0.9","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4(3<i>H</i>)-one","","- C12 H11 Cl3 N2 O2 -","- C12 H11 Cl3 N2 O2 -","- C96 H88 Cl24 N16 O16 -","8","1","PV2636","Utayeva, Fotima Rabbimovna; Okmanov, Rasul Yangiberdievich; Mukarramov, Nuridin Isomidinovich; Shakhidoyatov, Khusnutdin Muhitovich; Tashkhodjaev, Bakhodir","3-Methyl-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1094","","10.1107/S1600536813016073","","","1.54184","CuKα","","0.0504","0.0402","","","0.1112","0.1162","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238265","9.1349","0.0009","7.9451","0.0005","15.6121","0.0013","90","","90","","90","","1133.09","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","","- C6 H14 Cl2 N6 Ni -","- C6 H14 Cl2 N6 Ni -","- C24 H56 Cl8 N24 Ni4 -","4","0.5","SU2612","Kannan, Piskala Subburaman; Ganeshraja, Ayyakannu Sundaram; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalatheva","<i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2013","69","7","m410","","10.1107/S1600536813016747","","","0.71073","MoKα","","0.051","0.0445","","","0.1238","0.1286","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238277","10.7285","0.0003","18.547","0.0004","38.0785","0.0009","90","","90","","90","","7576.9","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II)","","- C40 H36 O2 P2 Ru S4 -","- C40 H36 O2 P2 Ru S4 -","- C320 H288 O16 P16 Ru8 S32 -","8","1","VN2074","Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","<i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2013","69","7","m408","m409","10.1107/S1600536813016735","","","0.71073","MoKα","","0.0637","0.039","","","0.0843","0.0967","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238296","13.0939","0.0007","8.9752","0.0005","14.2986","0.0011","90","","90","","90","","1680.38","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]","","- C4 H3 Cd N3 S2 -","- C4 H3 Cd N3 S2 -","- C32 H24 Cd8 N24 S16 -","8","1","ZL2553","Reinert, Thorben; Jess, Inke; Näther, Christian","Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]","Acta Crystallographica Section E","2013","69","7","m398","","10.1107/S1600536813015870","","","0.71073","MoKα","","0.0343","0.0334","","","0.089","0.0897","","","","","","1.166","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238297","18.8842","0.0011","9.5339","0.0004","19.114","0.0009","90","","90","","90","","3441.3","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Phenyl-3,5-dihydro-<i>o</i>-benzenonaphtho[1,2-<i>c</i>]thiophene","8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene","","- C24 H18 S -","- C24 H18 S -","- C192 H144 S8 -","8","1","ZL2554","Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene","Acta Crystallographica Section E","2013","69","7","o1165","","10.1107/S1600536813017285","","","0.71073","MoKα","","0.0649","0.0421","","","0.1148","0.138","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238358","10.1474","0.0015","8.6979","0.0013","18.073","0.003","90","","90","","90","","1595.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Cyanoanilinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C56 H56 I8 N16 -","8","1","HB7106","Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","2-Cyanoanilinium iodide","Acta Crystallographica Section E","2013","69","8","o1288","","10.1107/S1600536813019314","","","0.71073","MoKα","","0.0168","0.0162","","","0.0402","0.0408","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238369","15.551","0.007","17.022","0.007","20.865","0.009","90","","90","","90","","5523","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium","","- C30 H38 Ba N2 -","- C30 H38 Ba N2 -","- C240 H304 Ba8 N16 -","8","1","HP2057","Kazhdan, Daniel; Rozenel, Sergio S.","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium","Acta Crystallographica Section E","2013","69","8","m429","","10.1107/S1600536813017170","","","0.71073","MoKα","","0.0386","0.0275","","","0.065","0.0708","","","","","","1.067","","","","has coordinates,has Fobs","192353","2020-10-21","18:00:00",""
"2238416","14.078","0.005","20.416","0.005","20.789","0.005","90","","90","","90","","5975","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Ethyl-4'-(1<i>H</i>-indol-3-ylcarbonyl)-1'-methyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbonitrile dimethyl sulfoxide monosolvate","","- C33 H31 N5 O4 S -","- C33 H31 N5 O4 S -","- C264 H248 N40 O32 S8 -","8","1","RK2408","Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.","1-Ethyl-4'-(1<i>H</i>-indol-3-ylcarbonyl)-1'-methyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbonitrile dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2013","69","8","o1328","o1329","10.1107/S1600536813020485","","","0.71073","MoKα","","0.0733","0.0415","","","0.0971","0.1195","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238417","11.312","0.005","28.284","0.008","9.294","0.004","90","","90","","90","","2974","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-(Benzyliminiumyl)methyl]-6,8-dichloro-2<i>H</i>-chromen-4-olate","","- C17 H13 Cl2 N O2 -","- C17 H13 Cl2 N O2 -","- C136 H104 Cl16 N8 O16 -","8","1","RN2117","Ishikawa, Yoshinobu; Motohashi, Yuya","3-[(<i>E</i>)-(Benzyliminiumyl)methyl]-6,8-dichloro-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section E","2013","69","8","o1225","","10.1107/S1600536813018072","","","0.71069","MoKα","","","0.034","","","","0.0946","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238439","9.5785","0.0006","8.5687","0.0005","20.2229","0.0013","90","","90","","90","","1659.8","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Cyano-1-methylpyridinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C56 H56 I8 N16 -","8","1","TK5240","Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","2-Cyano-1-methylpyridinium iodide","Acta Crystallographica Section E","2013","69","8","o1281","","10.1107/S1600536813019302","","","0.71073","MoKα","","0.0504","0.0356","","","0.0803","0.0908","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238521","8.2663","0.0011","11.1661","0.0013","39.478","0.006","90","","90","","90","","3643.9","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>,<i>Z</i>)-1-(4-Chlorophenyl)-5-phenyl-5-(phenylsulfanyl)penta-2,4-dien-1-one","","- C23 H17 Cl O S -","- C23 H17 Cl O S -","- C184 H136 Cl8 O8 S8 -","8","1","LD2112","Vologzhanina, Anna V.; Gusev, Dmitry M.; Golovanov, Alexander A.; Pisareva, Valentina S.","(<i>E</i>,<i>Z</i>)-1-(4-Chlorophenyl)-5-phenyl-5-(phenylsulfanyl)penta-2,4-dien-1-one","Acta Crystallographica Section E","2013","69","9","o1479","","10.1107/S160053681302312X","","","0.71073","MoKα","","0.1117","0.0491","","","0.0779","0.0995","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238542","10.889","0.002","10.11","0.002","17.01","0.003","90","","90","","90","","1872.6","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3-Xylidinium nitrate","2,3-Dimethylanilinium nitrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C64 H96 N16 O24 -","8","1","PV2645","Kefi, Chourouk; Marouani, Houda; Rzaigui, Mohamed","2,3-Xylidinium nitrate","Acta Crystallographica Section E","2013","69","9","o1475","","10.1107/S1600536813023465","","","0.56083","AgKα","","0.3175","0.0597","","","0.1084","0.1782","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238553","9.8965","0.0002","15.2329","0.0003","20.1122","0.0004","90","","90","","90","","3031.96","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pruniflorone N","3,6,11-Trihydroxy-1,1-dimethyl-2,3-dihydrochromeno[2,3-<i>f</i>]chromen-7-one monohydrate","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","1","SJ5348","Boonnak, Nawong; Chantrapromma, Suchada; Fun, Hoong-Kun","Racemic 2'-hydroxy-4',4'-dimethylpyran-1,5-dihydroxyxanthone monohydrate","Acta Crystallographica Section E","2013","69","9","o1456","o1457","10.1107/S1600536813021223","","","0.71073","MoKα","","0.0581","0.0519","","","0.1405","0.1453","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238596","10.745","0.0002","10.1737","0.0002","21.6588","0.0004","90","","90","","90","","2367.66","0.08","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(2-Methylbenzoyl)benzoic acid","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","BG2513","Platosz, Natalia A.; Lalancette, Roger A.; Thompson, Hugh W.; Newman, Jacob M.; Schachter, Ari","2-(2-Methylbenzoyl)benzoic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica Section E","2013","69","10","o1547","o1548","10.1107/S1600536813025099","","","1.54178","CuKα","","0.031","0.03","","","0.075","0.076","","","","","","1.07","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238598","7.286","0.004","15.148","0.008","25.84","0.014","90","","90","","90","","2852","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide","","- C13 H10 Cl N3 O3 S -","- C13 H10 Cl N3 O3 S -","- C104 H80 Cl8 N24 O24 S8 -","8","1","BG2516","Yamin, Bohari M.; Yusof, Diyana; Hasbullah, Siti Aishah","3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide","Acta Crystallographica Section E","2013","69","10","o1567","","10.1107/S1600536813025440","","","0.71073","MoKα","","0.0733","0.0446","","","0.101","0.1165","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238631","10.1889","0.0012","15.2033","0.0005","21.6254","0.0009","90","","90","","90","","3349.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))","","- C36 H40 Cu2 N4 O8 -","- C36 H40 Cu2 N4 O8 -","- C144 H160 Cu8 N16 O32 -","4","0.5","HG5344","Sydoruk, Tetyana V.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))","Acta Crystallographica Section E","2013","69","10","m551","m552","10.1107/S1600536813025105","","","0.71073","MoKα","","0.0449","0.0313","","","0.0789","0.0835","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238636","15.3862","0.0019","8.2397","0.001","27.198","0.004","90","","90","","90","","3448.1","0.8","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-κ<i>O</i>)silver(I)] acetonitrile disolvate","","- C26 H22 Ag2 Cl4 N12 O6 -","- C26 H22 Ag2 Cl4 N12 O6 -","- C104 H88 Ag8 Cl16 N48 O24 -","4","0.5","HY2636","Guo, Ying; Cai, Hua","Bis[μ-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-κ<i>O</i>)silver(I)] acetonitrile disolvate","Acta Crystallographica Section E","2013","69","10","m525","","10.1107/S1600536813024021","","","0.71073","MoKα","","0.0493","0.0389","","","0.1049","0.1129","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238648","12.1162","0.0005","11.9638","0.0005","24.9181","0.0009","90","","90","","90","","3612","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclopentane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","","- C18 H16 Cl N4 O3 Re -","- C18 H16 Cl N4 O3 Re -","- C144 H128 Cl8 N32 O24 Re8 -","8","1","LH5644","Clegg, Oliver R.; Harding, Lindsay P.; Miller, John W.; Rice, Craig R.","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclopentane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","Acta Crystallographica Section E","2013","69","10","m526","","10.1107/S1600536813023076","","","0.71073","MoKα","","0.0611","0.0372","","","0.0676","0.0749","","","","","","1.041","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238651","8.3121","0.0008","6.0287","0.0006","35.93","0.003","90","","90","","90","","1800.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]","","- C7 H7 Na O4 S -","- C7 H7 Na O4 S -","- C56 H56 Na8 O32 S8 -","8","1","LH5648","Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun","Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]","Acta Crystallographica Section E","2013","69","10","m558","","10.1107/S1600536813025919","","","0.71073","MoKα","","0.0375","0.0369","","","0.1003","0.1007","","","","","","1.202","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238662","16.251","0.003","10.473","0.002","19.973","0.004","90","","90","","90","","3399.3","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(6,6-Dimethyl-1-phenyl-6,7-dihydro-5<i>H</i>-pyrrolizin-2-yl)(thiophen-2-yl)methanone","","- C20 H19 N O S -","- C20 H19 N O S -","- C160 H152 N8 O8 S8 -","8","1","PK2493","Liu, Yu-min; Zhong, Jia-liang; Sun, Wen-xia; Zhang, Fu-li; Liu, He","(6,6-Dimethyl-1-phenyl-6,7-dihydro-5<i>H</i>-pyrrolizin-2-yl)(thiophen-2-yl)methanone","Acta Crystallographica Section E","2013","69","10","o1513","","10.1107/S1600536813023489","","","0.71073","MoKα","","0.0698","0.0462","","","0.1194","0.1314","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238686","13.024","0.003","8.411","0.0017","23.143","0.005","90","","90","","90","","2535.2","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Benzylcarbamoyl)nicotinic acid","2-(Benzylcarbamoyl)pyridine-3-carboxylic acid","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","XU5724","Mao, Yan-Cao; Wu, Hao; Shan, Jin-Jun; Yan, Ke","2-(Benzylcarbamoyl)nicotinic acid","Acta Crystallographica Section E","2013","69","10","o1520","","10.1107/S1600536813024483","","","0.71073","MoKα","","0.1133","0.0569","","","0.1434","0.1671","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238694","13.138","0.002","10.0323","0.0019","17.838","0.003","90","","90","","90","","2351.1","0.7","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","","- C13 H11 N3 Se -","- C13 H11 N3 Se -","- C104 H88 N24 Se8 -","8","1","ZS2275","Wu, Zhaojun; Li, Yiqun; Zhou, Hua; Zhou, Meiyun","<i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","Acta Crystallographica Section E","2013","69","10","o1497","","10.1107/S1600536813023659","","","1.54178","CuKα","","0.1245","0.0939","","","0.2853","0.3141","","","","","","1.279","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238750","13.2676","0.0003","13.5572","0.0003","17.1246","0.0004","90","","90","","90","","3080.23","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrobenzeneaminium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 N2 O9 S -","- C13 H14 N2 O9 S -","- C104 H112 N16 O72 S8 -","8","1","IS5308","Sivakumar, P. K.; Kumar, M. Krishna; Chakkaravarthi, G.; Kumar, R. Mohan; Kanagadurai, R.","4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2013","69","11","o1609","","10.1107/S1600536813026779","","","0.71073","MoKα","","0.0456","0.0375","","","0.1019","0.1074","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238764","17.1086","0.0006","15.0188","0.0004","19.9578","0.0007","90","","90","","90","","5128.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris[4-bromo-2-(methyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)","","- C24 H21 Br3 Co N3 O3 -","- C24 H21 Br3 Co N3 O3 -","- C192 H168 Br24 Co8 N24 O24 -","8","1","LH5657","Huang, Qiu-Ping; Zhang, Chun-Lian; Zhao, Ru-Xia; Yang, Li; Jiang, Xi-Fu","Tris[4-bromo-2-(methyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)","Acta Crystallographica Section E","2013","69","11","m601","","10.1107/S1600536813027591","","","0.71073","MoKα","","0.074","0.0406","","","0.0769","0.0894","","","","","","1.01","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238781","9.2709","0.0019","11.812","0.002","15.982","0.003","90","","90","","90","","1750.2","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-6-chloro-<i>N</i>-methylbenzamide","","- C8 H9 Cl N2 O -","- C8 H9 Cl N2 O -","- C64 H72 Cl8 N16 O8 -","8","1","RZ5085","Liang, Yan-Hui; Mei, Xiang-Dong; Li, Yao-Fa; Pan, Wen-Liang; Ning, Jun","2-Amino-6-chloro-<i>N</i>-methylbenzamide","Acta Crystallographica Section E","2013","69","11","o1642","","10.1107/S1600536813027827","","","0.71073","MoKα","","0.0741","0.0646","","","0.1331","0.1386","","","","","","1.174","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238807","18.0158","0.0004","5.9346","0.0001","25.548","0.0008","90","","90","","90","","2731.5","0.11","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C112 H104 N8 O32 S8 -","8","1","TK5268","Maganhi, Stella H.; Tavares, Maurício T.; Damião, Mariana C. F. C. B.; Parise Filho, Roberto","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide: an analogue of capsaicin","Acta Crystallographica Section E","2013","69","11","o1700","","10.1107/S1600536813028481","","","0.71073","MoKα","","0.0774","0.0512","","","0.1322","0.1492","","","","","","1.04","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238833","12.537","0.003","6.6745","0.0013","28.975","0.006","90","","90","","90","","2424.6","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium","","- C4 H10 Cd N10 O6 -","- C4 H10 Cd N10 O6 -","- C32 H80 Cd8 N80 O48 -","8","1","BH2488","Liang, Qian; Wang, Yulin; Zhao, Yan; Cao, Gaojuan","Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium","Acta Crystallographica Section E","2013","69","12","m645","m646","10.1107/S1600536813030158","","","0.71073","MoKα","","0.0299","0.0293","","","0.0782","0.0786","","","","","","1.065","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238847","19.3078","0.0015","11.2651","0.0008","20.535","0.003","90","","90","","90","","4466.5","0.8","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-<i>μ</i>~2~-acetato-1:2<i>κ</i>^2^<i>O</i>:<i>O</i>';2:3<i>κ</i>^2^<i>O</i>:<i>O</i>'-bis{<i>μ</i>~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>κ</i>^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>κ</i>^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium(II)","","- C42 H42 Cd3 Cl4 N4 O8 -","- C42 H42 Cd3 Cl4 N4 O8 -","- C168 H168 Cd12 Cl16 N16 O32 -","4","0.5","CQ2008","Kubono, Koji; Tani, Keita; Yokoi, Kunihiko; Shinmyozu, Teruo; Goto, Kenta","Di-<i>{μ</i>}~2~-acetato-1:2<i>{κ</i>}^2^<i>O</i>:<i>O</i>';2:3<i>{κ</i>}^2^<i>O</i>:<i>O</i>'-bis{<i>{μ</i>}~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>{κ</i>}^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>{κ</i>}^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium","Acta Crystallographica Section E","2013","69","12","m629","m630","10.1107/S1600536813029413","","","0.71075","MoKα","","","0.0186","","","","0.058","","","","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238849","14.693","0.002","13.531","0.002","16.347","0.002","90","","90","","90","","3250","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","","- C16 H13 Cl2 N3 O2 -","- C16 H13 Cl2 N3 O2 -","- C128 H104 Cl16 N24 O16 -","8","1","CV5435","Li, Yang; Sun, Chen; Zhang, Ran","Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","Acta Crystallographica Section E","2013","69","12","o1796","","10.1107/S160053681303033X","","","0.71073","MoKα","","0.0678","0.0545","","","0.1582","0.1704","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238889","7.1135","0.0008","19.4512","0.0011","30.8","0.002","90","","90","","90","","4261.7","0.6","223.15","","223.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tricarboxybenzoate monohydrate","","- C24 H20 N2 O9 -","- C24 H20 N2 O9 -","- C192 H160 N16 O72 -","8","1","LH5664","Zhong, Kai-Long","2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tricarboxybenzoate monohydrate","Acta Crystallographica Section E","2013","69","12","o1782","o1783","10.1107/S1600536813030857","","","0.71073","MoKα","","0.1489","0.0881","","","0.2192","0.2719","","","","","","1.001","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238897","18.086","0.0004","19.1755","0.0004","19.4619","0.0004","90","","90","","90","","6749.5","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylendiammonium [[tetrabromidoantimonate(III)]-μ-bromido] hemihydrate]","","- C12 H38 Br10 N4 O Sb2 -","- C12 H38 Br10 N4 O Sb2 -","- C96 H304 Br80 N32 O8 Sb16 -","8","1","NC2318","Kharrat, Houda; Kamoun, Slaheddine; Michaud, François","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylendiammonium [[tetrabromidoantimonate(III)]-μ-bromido] hemihydrate]","Acta Crystallographica Section E","2013","69","12","m637","m638","10.1107/S1600536813028894","","","0.71073","MoKα","","0.1261","0.0473","","","0.0748","0.089","","","","","","1.014","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238929","11.4484","0.0019","9.0914","0.0015","13.23","0.002","90","","90","","90","","1377","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-3-hydroxy-6-methylpyridine","","- C6 H6 Br N O -","- C6 H6 Br N O -","- C48 H48 Br8 N8 O8 -","8","1","SU2659","Singh, Govind Pratap; Rajesh Goud, N.; Jeevan Kumar, P.; Sundaresan, C. N.; Nageswara Rao, G.","2-Bromo-3-hydroxy-6-methylpyridine","Acta Crystallographica Section E","2013","69","12","o1729","","10.1107/S1600536813029498","","","0.71073","MoKα","","0.0328","0.0245","","","0.0611","0.0659","","","","","","1.063","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238948","12.187","0.002","12.98","0.002","13.437","0.002","90","","90","","90","","2125.6","0.6","293","2","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate","","- C8 H34 Co N4 O14 S2 -","- C8 H34 Co N4 O14 S2 -","- C32 H136 Co4 N16 O56 S8 -","4","0.5","ZL2569","Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed","Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2013","69","12","m649","m650","10.1107/S1600536813030365","","","0.56085","AgKα","","0.099","0.045","","","0.093","0.1075","","","","","","1.037","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238974","16.4075","0.0002","15.7975","0.0003","27.1065","0.0004","90","","90","","90","","7025.94","0.19","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","","- C33 H56 Br2 N4 Rh2 -","- C33 H56 Br2 N4 Rh2 -","- C264 H448 Br16 N32 Rh16 -","8","1","","Pawar, Gajanan Manohar; Wurst, Klaus; Wang, Dongren; Buchmeiser, Michael","[μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]","Acta Crystallographica Section E","2014","70","2","m71","m72","10.1107/S1600536814001135","","","0.71073","MoKα","","0.0469","0.0333","","","0.0713","0.0776","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238990","15.9332","0.0007","7.8915","0.0003","30.4062","0.0014","90","","90","","90","","3823.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","LH5681","Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong","(<i>E</i>)-3-(9-Ethyl-9<i>H</i>-carbazol-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","2","o190","","10.1107/S1600536814001263","","","0.71073","MoKα","","0.1193","0.0475","","","0.083","0.1016","","","","","","1.001","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239053","17.932","0.0007","11.112","0.0004","18.5968","0.0007","90","","90","","90","","3705.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","","- C20 H18 Cl N3 O3 -","- C20 H18 Cl N3 O3 -","- C160 H144 Cl8 N24 O24 -","8","1","CV5438","Govindan, E.; Yuvaraj, PanneerSelvam; Reddy, Boreddy Siva Rami; Premalatha, K.; SubbiahPandi, A.","(4<i>S</i>)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[1,2-oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione","Acta Crystallographica Section E","2014","70","2","o173","","10.1107/S1600536814000191","","","0.71073","MoKα","","0.097","0.0437","","","0.1024","0.1335","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239151","7.0182","0.0005","16.0165","0.0012","26.7488","0.0015","90","","90","","90","","3006.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","","- C12 H11 Cl3 N2 O4 -","- C12 H11 Cl3 N2 O4 -","- C96 H88 Cl24 N16 O32 -","8","1","","Usha, M. K.; Shetty, Shobhitha; Kalluraya, B.; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.","Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate","Acta Crystallographica Section E","2014","70","1","o13","","10.1107/S160053681303242X","","","0.71073","MoKα","","0.0851","0.0477","","","0.0967","0.1178","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239183","7.84207","0.00014","14.2305","0.0003","27.6218","0.0005","90","","90","","90","","3082.5","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(4-Methylpiperazin-1-yl)-(2,3,4-trimethoxybenzylidene)amine","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","HG5389","Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Yathirajan, H.S.","(4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine","Acta Crystallographica Section E","2014","70","4","o500","","10.1107/S1600536814006291","","","1.54184","CuKα","","0.0443","0.0395","","","0.1089","0.1133","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239186","8.347","0.003","7.063","0.003","39.946","0.016","90","","90","","90","","2355","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","0.5","","Chen, Jingjing; Yuan, Jianchao; Zhao, Jie; Xu, Weibing; Mu, Yanqiong","2,3-Bis[(3-methylbiphenyl-4-yl)imino]butane","Acta Crystallographica Section E","2014","70","4","o455","","10.1107/S1600536814005686","","","0.71073","MoKα","","0.1316","0.0691","","","0.1146","0.135","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239203","7.1825","0.0009","17.9973","0.0015","19.41","0.003","90","","90","","90","","2509","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Dimethylammonium copper sulfate tetrahydrate","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","","- C2 H17 Cu N O12 S2 -","- C2 H17 Cu N O12 S2 -","- C16 H136 Cu8 N8 O96 S16 -","8","1","WM5006","Held, Peter","Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)","Acta Crystallographica Section E","2014","70","4","m119","","10.1107/S1600536814004486","","","0.71073","MoKα","","0.0921","0.032","","","0.0753","0.0917","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239225","9.1927","0.0005","12.4711","0.0007","18.9806","0.0011","90","","90","","90","","2176","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","","- C30 H24 N4 -","- C30 H24 N4 -","- C120 H96 N16 -","4","0.5","XU5776","Ohno, Keiji; Fujihara, Takashi; Nagasawa, Akira","An orthorhombic polymorph of <i>N</i>^1^,<i>N</i>^4^-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine","Acta Crystallographica Section E","2014","70","4","o495","o496","10.1107/S1600536814006254","","","0.71073","MoKα","","0.0521","0.0463","","","0.1281","0.1326","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239238","17.2597","0.0006","13.5463","0.0004","18.9683","0.0007","90","","90","","90","","4434.9","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","","- C24 H17 Cl2 N3 O3 -","- C24 H17 Cl2 N3 O3 -","- C192 H136 Cl16 N24 O24 -","8","1","BT6969","Bakare, Oladapo; Thompson, Candice; Brandy, Yakini; Butcher, Ray J.","2-Chloro-<i>N</i>-(2-chlorobenzoyl)-<i>N</i>-(2-ethyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","Acta Crystallographica Section E","2014","70","4","o503","o504","10.1107/S1600536814006035","","","0.71073","MoKα","","0.2096","0.0438","","","0.058","0.0788","","","","","","0.771","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239319","11.455","0.0003","11.2239","0.0003","44.3776","0.001","90","","90","","90","","5705.6","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C288 H288 O32 -","16","2","RN2124","Lough, Alan J.; Raheem, Mohammed-Abdul; Tam, William","<i>cis</i>-2-(4-Methoxyphenyl)-4-methyl-1,2-dihydronaphthalen-1-ol","Acta Crystallographica Section E","2014","70","5","o546","","10.1107/S1600536814007739","","","1.54178","CuKα","","0.0416","0.0394","","","0.0968","0.0988","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239329","9.503","0.0018","10.2912","0.0016","25.347","0.005","90","","90","","90","","2478.9","0.8","147","2","147","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-Methyl-8-(1-phenylethenyl)-3,9-dioxa-4,8-diazatricyclo[5.2.1.0^2,6^]dec-4-ene","(3-Methyl-3a,4,7,7a-tetrahydro-5<i>H</i>-4,7-\ methanoisoxazolo[4,5-<i>d</i>][1,2]oxazin-5-yl)(phenyl)methanone","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","IS5350","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","(3-Methyl-3a,4,7,7a-tetrahydro-5<i>H</i>-4,7-methanoisoxazolo[4,5-<i>d</i>][1,2]oxazin-5-yl)(phenyl)methanone","Acta Crystallographica Section E","2014","70","5","o543","","10.1107/S1600536814007740","","","0.71073","MoKα","","0.0608","0.0405","","","0.092","0.1013","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239332","10.3091","0.0004","9.1309","0.0004","29.2552","0.0013","90","","90","","90","","2753.8","0.2","147","2","147","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","TK5301","Lough, Alan J.; Nagireddy, Jaipal R.; Tam, William","1-(3-Hydroxy-5,8-dimethoxy-4-methyl-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl)ethan-1-one","Acta Crystallographica Section E","2014","70","5","o545","","10.1107/S1600536814007764","","","1.54178","CuKα","","0.0387","0.0364","","","0.0948","0.0968","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239336","16.7802","0.0003","14.669","0.0003","18.4735","0.0004","90","","90","","90","","4547.23","0.16","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C216 H224 N16 O32 -","8","1","","Vijayakumar, Vinodhkumar; Peters, Gunther H.; Suresh, M.; Raghavachary, Raghunathan; Jagadeesan, G.","Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2014","70","5","o540","","10.1107/S1600536814007065","","","0.71073","MoKα","","0.0581","0.0385","","","0.0973","0.1109","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239356","13.9312","0.0011","9.2315","0.0007","27.423","0.002","90","","90","","90","","3526.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-\ 3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","","- C18 H18 N4 O5 Zn -","- C18 H18 N4 O5 Zn -","- C144 H144 N32 O40 Zn8 -","8","1","NK2220","Fuchs, Monica; Zevaco, Thomas; Dinjus, Eckhard; Walter, Olaf","<i>catena</i>-Poly[[aquazinc(II)]-μ-<i>N</i>,<i>N</i>'-bis(2-cyano-3-ethoxy-3-oxoprop-1-enyl)benzene-1,2-diaminido]","Acta Crystallographica Section E","2014","70","5","m187","m188","10.1107/S1600536814008381","","","0.71073","MoKα","","0.028","0.0231","","","0.0606","0.0633","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239400","10.7954","0.0003","10.1809","0.0002","20.839","0.0005","90","","90","","90","","2290.35","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide","","- C11 H16 N2 O -","- C11 H16 N2 O -","- C88 H128 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Balakit, Asim A.; Hegazy, Amany S.; Kariuki, Benson M.","2,2-Dimethyl-<i>N</i>-(4-methylpyridin-2-yl)propanamide","Acta Crystallographica Section E","2014","70","3","o351","o352","10.1107/S1600536814003729","","","1.54184","CuKα","","0.0599","0.046","","","0.1445","0.1539","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239425","14.5228","0.0005","12.4663","0.0004","15.2354","0.0005","90","","90","","90","","2758.3","0.16","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","SU2693","Öncüoğlu, Serkan; Dilek, Nefise; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer","Ethyl 4,9-dimethyl-9<i>H</i>-carbazole-3-carboxylate","Acta Crystallographica Section E","2014","70","3","o240","","10.1107/S1600536814002098","","","0.71073","MoKα","","0.0634","0.0493","","","0.1242","0.1332","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239455","12.233","0.0005","13.4144","0.0006","16.332","0.0009","90","","90","","90","","2680.1","0.2","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Benzotriazolium 4-methylbenzenesulfonate","","- C13 H13 N3 O3 S -","- C13 H13 N3 O3 S -","- C104 H104 N24 O24 S8 -","8","1","BT6963","Thirunavukkarasu, A.; Silambarasan, A.; Kumar, R. Mohan; Umarani, P. R.; Chakkaravarthi, G.","Benzotriazolium 4-methylbenzenesulfonate","Acta Crystallographica Section E","2014","70","3","o350","","10.1107/S1600536814003857","","","0.71073","MoKα","","0.0678","0.04","","","0.0908","0.1082","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239481","12.8642","0.0003","9.2013","0.0002","13.2578","0.0003","90","","90","","90","","1569.29","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Nitrophthalonitrile","4-Nitrobenzene-1,2-dicarbonitrile","","- C8 H3 N3 O2 -","- C8 H3 N3 O2 -","- C64 H24 N24 O16 -","8","1","","Jan, Chin Yee; Shamsudin, Norzianah Binti Haji; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Nitrophthalonitrile","Acta Crystallographica Section E","2014","70","3","o323","","10.1107/S1600536814003468","","","1.54184","CuKα","","0.0313","0.0298","","","0.0864","0.0878","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239489","9.0254","0.0013","7.7388","0.0012","42.488","0.007","90","","90","","90","","2967.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>Z</i>)-2-Benzylidene-4-(prop-2-yn-1-yl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","","- C18 H13 N O S -","- C18 H13 N O S -","- C144 H104 N8 O8 S8 -","8","1","TK5310","Sebbar, Nada Kheira; Zerzouf, Abdelfettah; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","(2<i>Z</i>)-2-Benzylidene-4-(prop-2-yn-1-yl)-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2014","70","5","o614","","10.1107/S1600536814009179","","","0.71073","MoKα","","0.074","0.0457","","","0.109","0.1241","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239494","7.411","0.005","12.314","0.005","29.684","0.005","90","","90","","90","","2709","2","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","1","XU5785","Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine","(<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol","Acta Crystallographica Section E","2014","70","5","o603","","10.1107/S1600536814008873","","","0.71073","MoKα","","0.0565","0.0425","","","0.096","0.1024","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239496","16.2808","0.0008","10.4348","0.0005","16.2905","0.0007","90","","90","","90","","2767.5","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Usha, G.; Jovita, J.","(<i>E</i>)-3-(4-Hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","5","o593","o594","10.1107/S1600536814008757","","","0.71073","MoKα","","0.089","0.0394","","","0.0952","0.1282","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239545","8.36521","0.00009","14.13395","0.00014","26.9223","0.0003","90","","90","","90","","3183.12","0.06","223","","223","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3DBNS","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)dibenzothioamide","","- C17 H18 N2 S2 -","- C17 H18 N2 S2 -","- C136 H144 N16 S16 -","8","1","BV2233","Nagasawa, Masayuki; Sasanuma, Yuji; Masu, Hyuma","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)dibenzothioamide","Acta Crystallographica Section E","2014","70","6","o639","","10.1107/S160053681400974X","","","1.54178","CuKα","","0.0327","0.0316","","","0.0843","0.0853","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239564","7.813","0.0003","25.6453","0.001","7.9162","0.0004","90","","90","","90","","1586.14","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Barium gallium oxynitride","Tetrabarium gallium trinitride oxide","","- Ba4 Ga N3 O -","- Ba4 Ga N3 O -","- Ba32 Ga8 N24 O8 -","8","1","HP2067","Hashimoto, Takayuki; Yamane, Hisanori","Ba~4~GaN~3~O","Acta Crystallographica Section E","2014","70","6","i28","","10.1107/S1600536814010472","","","0.71075","MoKα","","0.0476","0.0425","","","0.0959","0.099","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239598","9.606","0.0002","10.4572","0.0002","33.8766","0.0007","90","","90","","90","","3402.97","0.12","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1(2-Furoyl)piperazinium 3,5-dinitrobenzoate","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","","- C16 H16 N4 O8 -","- C16 H16 N4 O8 -","- C128 H128 N32 O64 -","8","1","TK5314","Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H.S.","4-(Furan-2-carbonyl)piperazin-1-ium 3,5-dinitrobenzoate","Acta Crystallographica Section E","2014","70","6","o700","o701","10.1107/S160053681401126X","","","1.54184","CuKα","","0.0487","0.0427","","","0.1162","0.1225","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239616","15.922","0.003","8.0335","0.0016","18.655","0.004","90","","90","","90","","2386.1","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","","- C24 H28 N4 O4 -","- C24 H28 N4 O4 -","- C96 H112 N16 O16 -","4","0.5","","Liu, Peng; Yuan, Libin; Song, Xiuqing; Yan, Hong","Diethyl (<i>E</i>)-2,3-bis[(<i>E</i>)-(2-methyl-2-phenylhydrazin-1-ylidene)methyl]but-2-enedioate","Acta Crystallographica Section E","2014","70","6","o723","","10.1107/S1600536814011970","","","0.71073","MoKα","","0.0411","0.0377","","","0.0961","0.0989","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239642","10.232","0.002","10.872","0.003","16.769","0.004","90","","90","","90","","1865.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Cyano-1-methylpyridinium perchlorate","","- C7 H7 Cl N2 O4 -","- C7 H7 Cl N2 O4 -","- C56 H56 Cl8 N16 O32 -","8","1","SU2740","Nguyen, Vu D.; McCormick, Cameron A.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyano-1-methylpyridinium perchlorate","Acta Crystallographica Section E","2014","70","7","o756","o757","10.1107/S1600536814012860","","","0.71073","MoKα","","0.0382","0.0344","","","0.0923","0.0968","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239662","17.2493","0.0012","9.6046","0.0005","27.7664","0.0017","90","","90","","90","","4600.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>R</i>,<i>S</i>)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'<i>H</i>-spiro[indoline-3,4'-pyrano[3,2-<i>c</i>][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","","- C23 H21 N5 O5 S -","- C23 H21 N5 O5 S -","- C184 H168 N40 O40 S8 -","8","1","KP2471","Shishkina, Svitlana V.; Ukrainets, Igor V.; Petrushova, Lidiya A.","(<i>R</i>,<i>S</i>)-2'-Amino-6'-methyl-2,5',5'-trioxo-6'<i>H</i>-spiro[indoline-3,4'-pyrano[3,2-<i>c</i>][2,1]benzothiazine]-3'-carbonitrile dimethylformamide monosolvate","Acta Crystallographica Section E","2014","70","7","o786","o787","10.1107/S1600536814013634","","","0.71073","MoKα","","0.1483","0.0717","","","0.1661","0.1943","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239670","25.397","0.005","14.6","0.003","25.51","0.005","90","","90","","90","","9459","3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate","","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C40 H40 Cl5 Cr2 F4 N8 Na O4 Zn -","- C320 H320 Cl40 Cr16 F32 N64 Na8 O32 Zn8 -","8","1","","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Bis[<i>trans</i>-difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III)] sodium tetrachloridozincate perchlorate from synchrotron data","Acta Crystallographica Section E","2014","70","7","m280","","10.1107/S1600536814014408","","","0.62998","synchrotron","","0.0492","0.0471","","","0.1341","0.1361","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239673","22.173","0.0004","15.1385","0.0003","23.6954","0.0005","90","","90","","90","","7953.7","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate","","- C33 H40 Cl9 O3 P Ru -","- C31 H38 Cl3 O3 P Ru -","- C248 H304 Cl24 O24 P8 Ru8 -","8","1","","Gowrisankar, Saravanan; Neumann, Helfried; Spannenberg, Anke; Beller, Matthias","(η^6^-Benzene)(carbonato-κ^2^<i>O</i>,<i>O</i>')[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κ<i>P</i>]ruthenium(II) chloroform trisolvate","Acta Crystallographica Section E","2014","70","7","m272","m273","10.1107/S1600536814014081","","","1.54178","CuKα","","0.0479","0.0409","","","0.1058","0.1095","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239683","10.5832","0.0002","7.9509","0.0002","28.9259","0.0005","90","","90","","90","","2434","0.09","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","","- C12 H15 N3 S -","- C12 H15 N3 S -","- C96 H120 N24 S8 -","8","1","","Rocha, Fillipe Vieira; de Godoy Netto, Adelino Vieira; Beck, Johannes; Daniels, Jörg; de Oliveira, Adriano Bof","<i>N</i>-Methyl-2-(1-methyl-3-phenylprop-2-en-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","7","o800","","10.1107/S1600536814013889","","","0.71073","MoKα","","0.0382","0.0309","","","0.0756","0.0799","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239718","8.3545","0.0007","12.9503","0.0011","34.291","0.002","90","","90","","90","","3710.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","{4-Amino-<i>N</i>'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","","- C20 H19 N3 O2 Sn -","- C20 H19 N3 O2 Sn -","- C160 H152 N24 O16 Sn8 -","8","1","CV5466","Cheng, Miao; Zhao, Yuhong; Dong, Tiantian; Cui, Jichun","{4-Amino-<i>N</i>'-[(2-oxidonaphthalen-1-yl)methylidene]benzohydrazidato}dimethyltin(IV)","Acta Crystallographica Section E","2014","70","7","m283","","10.1107/S1600536814014652","","","0.71073","MoKα","","0.0765","0.0515","","","0.1059","0.121","","","","","","1.136","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239787","7.1317","0.0005","7.3757","0.0005","29.129","0.002","90","","90","","90","","1532.22","0.18","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium trifluorido(4-fluorophenyl)borate","","- C6 H4 B F4 K -","- C6 H4 B F4 K -","- C48 H32 B8 F32 K8 -","8","1","WM0001","Harrison, William T. A.; Wardell, James L.","Crystal structures of potassium trifluorido(4-methoxyphenyl)borate and potassium trifluorido(4-fluorophenyl)borate","Acta Crystallographica Section E","2014","70","8","68","71","10.1107/S1600536814009684","","","0.71075","MoKα","","0.0358","0.0271","","","0.0624","0.0654","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239832","13.1231","0.0003","8.8559","0.0002","19.3702","0.0004","90","","90","","90","","2251.14","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(4-Formylbenzylidene)-4-methylthiosemicarbazone","1-[(4-formylbenzylidene)amino]-3-methylthiourea","","- C10 H11 N3 O S -","- C10 H11 N3 O S -","- C80 H88 N24 O8 S8 -","8","1","","Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Crystal structure of 1-(4-formylbenzylidene)-4-methylthiosemicarbazone","Acta Crystallographica Section E","2014","70","9","o926","","10.1107/S1600536814016407","","","1.54178","CuKα","","0.0374","0.0344","","","0.0966","0.1004","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239849","11.6172","0.0006","8.4086","0.0005","30.0002","0.0016","90","","90","","90","","2930.6","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4-Fluoro-<i>N</i>-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","","- C15 H11 F2 N3 O2 S -","- C15 H11 F2 N3 O2 S -","- C120 H88 F16 N24 O16 S8 -","8","1","HB7245","Firdausiah, Syadza; Salleh Huddin, Ameera Aqeela; Hasbullah, Siti Aishah; Yamin, Bohari M.; Yusoff, Siti Fairus M.","Crystal structure of 4-fluoro-<i>N</i>-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide","Acta Crystallographica Section E","2014","70","9","o915","o916","10.1107/S1600536814015761","","","0.71073","MoKα","","0.0802","0.0463","","","0.0873","0.0989","","","","","","1.044","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2239860","14.3394","0.0012","10.0089","0.0016","29.562","0.003","90","","90","","90","","4242.8","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>,<i>N</i>'-Bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","","- C18 H35 N3 P2 -","- C18 H35 N3 P2 -","- C144 H280 N24 P16 -","8","1","SU0004","Stöger, Berthold; Weil, Matthias; Bichler, Bernhard; Eder, Wolfgang; Kirchner, Karl","Crystal structure of <i>N</i>,<i>N</i>'-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine","Acta Crystallographica Section E","2014","70","9","o889","o890","10.1107/S1600536814010976","","","0.71073","MoKα","","0.0499","0.0311","","","0.0434","0.0457","","","","","","1.39","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2239887","5.8231","0.0003","14.3214","0.0006","21.7365","0.0008","90","","90","","90","","1812.71","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Ethylquinazoline-4(3<i>H</i>)-thione","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 2-ethylquinazoline-4(3<i>H</i>)-thione","Acta Crystallographica Section E","2014","70","9","o953","","10.1107/S160053681401664X","","","0.71073","MoKα","","0.0375","0.0325","","","0.0834","0.0868","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239929","12.2857","0.0012","15.3082","0.0016","18.5241","0.0018","90","","90","","90","","3483.9","0.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-[(4-Chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-cyclohexylhydrazine carbothioamide","","- C17 H20 Cl N3 O S -","- C17 H20 Cl N3 O S -","- C136 H160 Cl8 N24 O8 S8 -","8","1","SU2769","Gangadharan, Rajeswari; Haribabu, Jebiti; Karvembu, Ramasamy; Sethusankar, K.","Crystal structure of (<i>E</i>)-2-[(4-chloro-2<i>H</i>-chromen-3-yl)methylidene]-<i>N</i>-cyclohexylhydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","9","o1039","o1040","10.1107/S1600536814018509","","","0.71073","MoKα","","0.0836","0.0496","","","0.1297","0.1523","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239932","11.389","0.005","12.66","0.005","21.667","0.005","90","","90","","90","","3124","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","","- C14 H17 N3 O S2 -","- C14 H17 N3 O S2 -","- C112 H136 N24 O8 S16 -","8","1","SU2768","Manimaran, A.; Sethusankar, K.; Ganesan, S.; Ananthan, S.","Crystal structure of 3-methyl-2,6-bis(4-methyl-1,3-thiazol-5-yl)piperidin-4-one","Acta Crystallographica Section E","2014","70","9","o1055","","10.1107/S1600536814018856","","","0.71073","MoKα","","0.0773","0.0476","","","0.128","0.1502","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239945","13.3135","0.0009","9.9581","0.0006","20.0278","0.0014","90","","90","","90","","2655.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-Benzylidene-2-methoxybenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","BG2535","Taha, Muhammad; Baharudin, M. Syukri; Zaki, Hamizah Mohd; Yamin, Bohari M.; Naz, Humera","Crystal structure of (<i>E</i>)-<i>N</i>'-benzylidene-2-methoxybenzohydrazide","Acta Crystallographica Section E","2014","70","9","o1071","o1072","10.1107/S1600536814019011","","","0.71073","MoKα","","0.0593","0.0379","","","0.0866","0.1034","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239975","14.6208","0.0006","11.3324","0.0007","22.641","0.0012","90","","90","","90","","3751.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5'-[(4-Fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]","","- C19 H21 F N6 O4 -","- C19 H21 F N6 O4 -","- C152 H168 F8 N48 O32 -","8","1","","Sharma, Naresh; Brahmachari, Goutam; Banerjee, Bubun; Kant, Rajni; Gupta, Vivek K.","Crystal structure of 5,5'-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]","Acta Crystallographica Section E","2014","70","10","o1098","o1099","10.1107/S1600536814019886","","","0.71073","MoKα","","0.0976","0.052","","","0.1057","0.1301","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239982","13.6668","0.001","8.3356","0.0005","21.4683","0.0016","90","","90","","90","","2445.7","0.3","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","TK5341","Yamin, Bohari M.; Rodis, Monica Lulo; Chee, Dayang N. B. A","Crystal structure of 4-cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide","Acta Crystallographica Section E","2014","70","10","o1109","","10.1107/S160053681402025X","","","0.71073","MoKα","","0.091","0.0529","","","0.1169","0.1351","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240002","15.7102","0.0005","10.7491","0.0003","24.3648","0.0007","90","","90","","90","","4114.5","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(1<i>H</i>-Indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C216 H152 N24 O8 -","8","1","HB7280","Vishnupriya, R.; Suresh, J.; Sakthi, Marimuthu; Perumal, Subbu; Lakshman, P. L. Nilantha","Crystal structure of 4-(1<i>H</i>-indol-3-yl)-2-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2014","70","10","o1120","o1121","10.1107/S1600536814020170","","","0.71073","MoKα","","0.0582","0.0387","","","0.0915","0.1039","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240071","12.6487","0.0004","7.0786","0.0002","23.72","0.0006","90","","90","","90","","2123.77","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-fluoro-cytosinium 3-hydroxypicolinate","4-Amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypicolinate","","- C10 H9 F N4 O4 -","- C10 H9 F N4 O4 -","- C80 H72 F8 N32 O32 -","8","1","TK5344","Kathikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Crystal structure of 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypyridine-2-carboxylate","Acta Crystallographica Section E","2014","70","11","328","330","10.1107/S1600536814021898","","","0.71073","MoKα","","0.0562","0.0424","","","0.1041","0.1113","","","","","","1.083","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240080","15.3749","0.0006","13.1575","0.0005","19.2929","0.0009","90","","90","","90","","3902.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","1","","Prathebha, K.; Reuben Jonathan, D.; Sathya, S.; Vasanthi, R.; Usha, G.","Crystal structure of 4-methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide","Acta Crystallographica Section E","2014","70","11","o1157","","10.1107/S1600536814021965","","","0.71073","MoKα","","0.1836","0.0595","","","0.1234","0.1716","","","","","","0.925","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240086","13.2789","0.0012","14.6329","0.0014","24.278","0.002","90","","90","","90","","4717.4","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate","","- C20 H34 Cd N2 O10 -","- C20 H34 Cd N2 O10 -","- C160 H272 Cd8 N16 O80 -","8","1","WM5070","Li, Ya-Ping; Han, Li-Ying; Ming, Julia; Su, Guan-Fang","Crystal structure of bis{2-[bis(2-hydroxyethyl)amino]ethanol-κ^4^<i>O</i>,<i>N</i>,<i>O</i>',<i>O</i>''}cadmium terephthalate","Acta Crystallographica Section E","2014","70","11","m371","","10.1107/S1600536814022375","","","0.71073","MoKα","","0.0828","0.0373","","","0.0801","0.0985","","","","","","0.982","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240101","8.9363","0.0006","13.237","0.0008","16.481","0.0014","90","","90","","90","","1949.5","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","","- C4 H32 N2 Ni O16 S2 -","- C4 H32 N2 Ni O16 S2 -","- C16 H128 N8 Ni4 O64 S8 -","4","0.5","WM5074","Held, Peter","Crystal structure of bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2014","70","11","403","405","10.1107/S160053681402234X","","","0.71073","MoKα","","0.1164","0.0402","","","0.0907","0.1232","","","","","","1.074","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240133","16.367","0.0004","10.5512","0.0003","16.6153","0.0004","90","","90","","90","","2869.32","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>E</i>)-3-(3-Ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","","Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G.","Crystal structure of (2<i>E</i>)-3-(3-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","11","o1202","o1203","10.1107/S1600536814023368","","","0.71073","MoKα","","0.0756","0.0575","","","0.1817","0.2145","","","","","","0.724","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240194","20.034","0.004","13.057","0.003","24.979","0.005","90","","90","","90","","6534","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)] tetranitrate tetrahydrate]","","- C50 H78 Cu2 N24 O16 -","- C50 H78 Cu2 N22 O10 -","- C200 H312 Cu8 N88 O40 -","4","0.5","","Wu, Fayuan; Shang, Mengxiang; Li, Shihua; Zhao, Yu","Crystal structure of a Cu^II^ complex with a bridging ligand: poly[[pentakis[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)] tetranitrate tetrahydrate]","Acta Crystallographica Section E","2014","70","12","503","506","10.1107/S1600536814024477","","","0.71073","MoKα","","0.1151","0.0601","","","0.1446","0.1724","","","","","","1.027","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240224","14.1161","0.0009","18.0874","0.0012","23.1986","0.0016","90","","90","","90","","5923.1","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bis[2-(diphenylphosphinothioyl)phenyl] ether","{2-[2-(Diphenylphosphinothioyl)phenoxy]phenyl}diphenylphosphanethione","","- C36 H28 O P2 S2 -","- C36 H28 O P2 S2 -","- C288 H224 O8 P16 S16 -","8","1","","Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A.","Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether","Acta Crystallographica Section E","2014","70","12","536","540","10.1107/S1600536814023988","","","0.71075","MoKα","","0.065","0.0453","","","0.094","0.1012","","","","","","1.066","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240255","10.5646","0.0006","18.798","0.0011","26.9782","0.0016","90","","90","","90","","5357.7","0.5","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Amino-1-(4-methylbenzyl)pyridinium bromide","","- C13 H15 Br N2 -","- C13 H15 Br N2 -","- C208 H240 Br16 N32 -","16","2","","Sharmila, N.; Sundar, T. V.; Yasodha, A.; Puratchikody, A.; Sridhar, B.","Crystal structure of 4-amino-1-(4-methylbenzyl)pyridinium bromide","Acta Crystallographica Section E","2014","70","12","o1293","o1294","10.1107/S1600536814025343","","","0.71073","MoKα","","0.0794","0.0386","","","0.0925","0.1096","","","","","","1.01","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240264","8.2937","0.0001","17.4137","0.0003","26.9626","0.0004","90","","90","","90","","3894.05","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Amino-1-propylpyridinium bromide","","- C8 H13 Br N2 -","- C8 H13 Br N2 -","- C128 H208 Br16 N32 -","16","2","SU5025","Venkatesan, P.; Rajakannan, V.; Thamotharan, S.","Crystal structure of 3-amino-1-propylpyridinium bromide","Acta Crystallographica Section E","2014","70","12","580","583","10.1107/S1600536814025665","","","0.71073","MoKα","","0.0851","0.0364","","","0.0723","0.0854","","","","","","1.003","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240312","12.4554","0.0006","8.2204","0.0004","30.6681","0.0017","90","","90","","90","","3140.1","0.3","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","HB7328","Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.","Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one","Acta Crystallographica Section E","2015","71","1","o24","o25","10.1107/S2056989014026292","","","0.71073","MoKα","","0.0718","0.0429","","","0.0963","0.1109","","","","","","1.028","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2240328","20.354","0.005","7.534","0.005","21.801","0.005","90","0.005","90","0.005","90","0.005","3343","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","DQMBD","<i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","","- C20 H21 N3 -","- C20 H21 N3 -","- C160 H168 N24 -","8","1","HG5416","Faizi, Md. Serajul Haque; Siddiqui, Nazia; Javed, Saleem","Crystal structure of <i>N</i>^1^,<i>N</i>^1^-diethyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine","Acta Crystallographica Section E","2015","71","1","o49","o50","10.1107/S2056989014027108","","","0.71073","MoKα","","0.1322","0.0839","","","0.1725","0.1952","","","","","","1.093","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240362","13.0731","0.0006","14.7989","0.0008","17.3092","0.0011","90","","90","","90","","3348.8","0.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis(thiocyanato-κ<i>N</i>)nickel(II)‒2,5-dimethylpyrazine (1/4)","","- C26 H40 N10 Ni O4 S2 -","- C26 H40 N10 Ni O4 S2 -","- C104 H160 N40 Ni4 O16 S8 -","4","0.5","PK2540","Suckert, Stefan; Wriedt, Mario; Jess, Inke; Näther, Christian","Crystal structure of tetraaquabis(thiocyanato-κ<i>N</i>)nickel(II)‒2,5-dimethylpyrazine (1/4)","Acta Crystallographica Section E","2015","71","2","m18","","10.1107/S2056989014026991","","","0.71073","MoKα","","0.0506","0.0361","","","0.0921","0.1001","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240367","7.1921","0.0005","18.072","0.003","24.093","0.004","90","","90","","90","","3131.5","0.8","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline","","- C18 H10 Cl2 N4 -","- C18 H10 Cl2 N4 -","- C144 H80 Cl16 N32 -","8","1","","Crundwell, Guy; Glagovich, Neil M.; King, Melissa E.","6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline","Acta Crystallographica Section E","2015","71","2","o107","","10.1107/S2056989015000055","","","0.71073","MoKα","","0.0608","0.034","","","0.0825","0.0858","","","","","","0.902","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240414","19.299","0.0007","9.5345","0.0003","24.2188","0.0007","90","","90","","90","","4456.4","0.2","100","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(2<i>H</i>-1,3-Benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide","","- C25 H22 F3 N O5 -","- C25 H22 F3 N O5 -","- C200 H176 F24 N8 O40 -","8","1","","Roberts, Sue A.; Martinez-Ariza, Guillermo; Hulme, Christopher","Crystal structures of <i>N</i>-<i>tert</i>-butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2<i>H</i>-1,3-benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide","Acta Crystallographica Section E","2015","71","2","199","202","10.1107/S2056989015000936","","","0.71073","MoKα","","0.0431","0.035","","","0.0806","0.0858","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240473","8.975","0.005","13.268","0.005","16.528","0.005","90","","90","","90","","1968.2","1.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","Bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","","- C4 H32 Co N2 O16 S2 -","- C4 H32 Co N2 O16 S2 -","- C16 H128 Co4 N8 O64 S8 -","4","0.5","FK2085","Held, Peter","Crystal structure of bis(dimethylammonium) hexaaquacobalt(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2015","71","4","m77","m78","10.1107/S2056989015003400","","","0.71073","MoKα","","0.1203","0.0393","","","0.0878","0.1109","","","","","","0.975","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240476","15.5868","0.0005","14.6323","0.0004","17.0439","0.0006","90","","90","","90","","3887.2","0.2","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate","","- C19 H26 Br N3 O -","- C19 H26 Br N3 O -","- C152 H208 Br8 N24 O8 -","8","1","RZ5148","Quo, Qi; Yang, Liangru; Mao, Pu; Xiao, Yongmei; Yuan, Jinwei","Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate","Acta Crystallographica Section E","2015","71","4","o224","","10.1107/S2056989015003989","","","0.7107","MoKα","","0.0923","0.0509","","","0.1152","0.1341","","","","","","1.028","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240497","12.476","0.005","11.741","0.005","20.313","0.007","90","","90","","90","","2975","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate","","- C8 H15 Fe N3 O8 S -","- C8 H15 Fe N3 O8 S -","- C64 H120 Fe8 N24 O64 S8 -","8","1","WM5132","Setifi, Zouaoui; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Merazig, Hocine","Crystal structure of tetraaqua[2-(pyridin-2-yl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]iron(II) sulfate","Acta Crystallographica Section E","2015","71","4","346","349","10.1107/S2056989015004417","","","0.71073","MoKα","","0.0682","0.0362","","","0.0799","0.0912","","","","","","1.081","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240518","11.2453","0.0003","10.5272","0.0003","17.5339","0.0006","90","","90","","90","","2075.69","0.11","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-<i>N</i>-(pyridin-3-yl)propanamide","","- C10 H14 N2 O -","- C10 H14 N2 O -","- C80 H112 N16 O8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2,2-dimethyl-<i>N</i>-(pyridin-3-yl)propanamide","Acta Crystallographica Section E","2015","71","4","o246","o247","10.1107/S2056989015005289","","","1.54184","CuKα","","0.0488","0.0411","","","0.119","0.1273","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240553","12.9474","0.0018","9.066","0.0013","19.583","0.003","90","","90","","90","","2298.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N-(5-methylsalicylidene)aniline","2-{(<i>E</i>)-[(2-Hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","HB7370","Shalini, Suresh; Girija, C. R.; Jotani, Mukesh M.; Sathish, C. D.; Venkatesha, T. V.","Crystal structure of 2-{(<i>E</i>)-[(2-hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate","Acta Crystallographica Section E","2015","71","5","o288","","10.1107/S2056989015006374","","","0.71073","MoKα","","0.0805","0.0498","","","0.1113","0.1298","","","","","","1.052","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240587","15.192","0.0003","11.98641","0.00019","19.0307","0.0003","90","","90","","90","","3465.44","0.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Methyl 5-bromo-2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate","","- C19 H15 Br Cl N O3 -","- C19 H15 Br Cl N O3 -","- C152 H120 Br8 Cl8 N8 O24 -","8","1","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0383","0.0343","","","0.0902","0.0933","","","","","","1.056","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240602","11.2629","0.0011","13.2117","0.0011","24.041","0.003","90","","90","","90","","3577.4","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C160 H168 N8 O24 S8 -","8","1","SU5106","Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-(4-isopropylphenyl)-1-methyl-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate, methyl 1-methyl-3-(<i>o</i>-tolyl)-1,2,3,3a,4,9b-hexahydrothiochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate and methyl 1-methyl-3-(<i>o</i>-tolyl)-3,3a,4,9b-tetrahydro-1<i>H</i>-thiochromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2015","71","6","574","577","10.1107/S2056989015008063","","","0.71073","MoKα","","0.0619","0.0457","","","0.0985","0.1108","","","","","","1.122","","","","has coordinates,has Fobs","136394","2020-10-21","18:00:00",""
"2240623","11.738","0.0002","14.4453","0.0003","19.9515","0.0003","90","","90","","90","","3382.96","0.1","173","2","172.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one","","- C20 H16 Cl O2 P -","- C20 H16 Cl O2 P -","- C160 H128 Cl8 O16 P8 -","8","1","SU5111","Leach, Erin G.; Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of 1-(4-chlorophenyl)-2-(diphenylphosphoryl)ethan-1-one and 1-(diphenylphosphoryl)-3,3-dimethylbutan-2-one","Acta Crystallographica Section E","2015","71","5","523","527","10.1107/S2056989015006994","","","1.54178","CuKα","","0.0379","0.0322","","","0.0856","0.0894","","","","","","1.039","","","","has coordinates,has Fobs","136415","2020-10-21","18:00:00",""
"2240651","10.6386","0.0015","7.3948","0.001","30.554","0.004","90","","90","","90","","2403.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis[4-(1<i>H</i>-pyrrol-1-yl)phenyl] ferrocene-1,1'-dicarboxylate","","- C32 H24 Fe N2 O4 -","- C32 H24 Fe N2 O4 -","- C128 H96 Fe4 N8 O16 -","4","0.5","BG2552","Pérez, Wanda I.; Rheingold, Arnold L.; Meléndez, Enrique","Crystal structure of bis[4-(1<i>H</i>-pyrrol-1-yl)phenyl] ferrocene-1,1'-dicarboxylate: a potential chemotherapeutic drug","Acta Crystallographica Section E","2015","71","5","536","539","10.1107/S2056989015007446","","","0.71073","MoKα","","0.0651","0.0441","","","0.1049","0.1166","","","","","","1.015","","","","has coordinates,has Fobs","136441","2020-10-21","18:00:00",""
"2240723","16.981","0.004","8.1081","0.0017","41.66","0.009","90","","90","","90","","5736","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(<i>E</i>)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-4-phenyl-1,3-thiazole","","- C16 H12 Cl N3 S -","- C16 H12 Cl N3 S -","- C256 H192 Cl16 N48 S16 -","16","2","XU5803","Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Crystal structure of 2-[(<i>E</i>)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2014","70","9","o907","o908","10.1107/S1600536814016298","","","0.71073","MoKα","","0.067","0.0441","","","0.0949","0.1092","","","","","","1.039","","","","has coordinates,has Fobs","136882","2020-10-21","18:00:00",""
"2240733","8.7195","0.0017","9.9454","0.0019","23.389","0.004","90","","90","","90","","2028.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole","","- C13 H8 F2 N2 -","- C13 H8 F2 N2 -","- C104 H64 F16 N16 -","8","1","LH5659","Krishnamurthy, M. S.; Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","11","o1689","","10.1107/S1600536813028559","","","0.71073","MoKα","","0.095","0.0593","","","0.1422","0.1558","","","","","","1.009","","","","has coordinates,has Fobs","136894","2020-10-21","18:00:00",""
"2240738","9.2302","0.0004","9.85","0.0004","23.1347","0.0009","90","","90","","90","","2103.35","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole","","- C13 H8 Cl F N2 -","- C13 H8 Cl F N2 -","- C104 H64 Cl8 F8 N16 -","8","1","HB7406","Krishnamurthy, M. S.; Begum, Noor Shahina","Crystal structure of 2-(4-chloro-3-fluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2015","71","6","o387","o388","10.1107/S2056989015008683","","","0.71073","MoKα","","0.0454","0.0376","","","0.0983","0.1023","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","136900","2020-10-21","18:00:00",""
"2240742","7.3386","0.0007","14.9133","0.0011","24.3322","0.0018","90","","90","","90","","2663","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(3,4-Dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","GK2634","Salim, Muhammad; Tahir, Muhammad Nawaz; Shahid, Muhammad; Munawar, Munawar Ali","Crystal structure of 3-(3,4-dimethylanilino)-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o413","","10.1107/S2056989015009299","","","0.71073","MoKα","","0.0955","0.0481","","","0.1169","0.1438","","","","","","1.019","","","","has coordinates,has Fobs","137006","2020-10-21","18:00:00",""
"2240845","4.8846","0.0002","10.7002","0.0004","29.5666","0.0011","90","","90","","90","","1545.33","0.1","198","2","198.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4,4'-(But-2-ene-1,4-diyl)bis(2-methoxyphenol)","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","0.5","","Knight, Kyle S.; Carey, Patrick J.","Crystal structure of (<i>E</i>)-4,4'-(but-2-ene-1,4-diyl)bis(2-methoxyphenol)","Acta Crystallographica Section E","2015","71","7","o500","","10.1107/S2056989015011585","","","0.71073","MoKα","","0.0383","0.0334","","","0.0903","0.0956","","","","","","1.052","","","","has coordinates,has Fobs","139439","2020-10-21","18:00:00",""
"2240857","8.482961","0.000014","10.56617","0.000017","13.83195","0.00003","90","","90","","90","","1239.79","0.004","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","sodium molybdate dihydrate","Disodium molybdenum(VI) oxide dihydrate","","- D4 Mo Na2 O6 -","- D4 Mo Na2 O6 -","- D32 Mo8 Na16 O48 -","8","1","WM5172","Fortes, A. Dominic","Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction","Acta Crystallographica Section E","2015","71","7","799","806","10.1107/S2056989015011354","powder diffraction","","","neutron","","","","","","","","","","1.88","","","","","","","has coordinates","139451","2020-10-21","18:00:00",""
"2240858","8.482514","0.000015","10.595156","0.000019","13.8564","0.00003","90","","90","","90","","1245.32","0.004","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","sodium tungstate dihydrate","Disodium tungsten(VI) oxide dihydrate","","- D4 Na2 O6 W -","- D4 Na2 O6 W -","- D32 Na16 O48 W8 -","8","1","WM5172","Fortes, A. Dominic","Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction","Acta Crystallographica Section E","2015","71","7","799","806","10.1107/S2056989015011354","powder diffraction","","","neutron","","","","","","","","","","1.82","","","","","","","has coordinates","139451","2020-10-21","18:00:00",""
"2240893","15.011","0.004","6.1354","0.0018","16.543","0.005","90","","90","","90","","1523.6","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-Hydroxymethyl-2-methoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","1","TK5370","Hassan, Mubashir; Ashraf, Zaman; Seo, Sung-Yum; Kim, Daeyoung; Kang, Sung Kwon","Crystal structure of 5-hydroxymethyl-2-methoxyphenol","Acta Crystallographica Section E","2015","71","8","o540","o541","10.1107/S205698901501230X","","","0.71073","MoKα","","0.0618","0.0511","","","","0.1487","","","","","","1.072","","","","has coordinates,has Fobs","139969","2020-10-21","18:00:00",""
"2240895","12.1585","0.0005","8.6721","0.0004","32.6152","0.0012","90","","90","","90","","3438.9","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Pencycuron","1-(4-Chlorobenzyl)-1-cyclopentyl-3-phenylurea","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C152 H168 Cl8 N16 O8 -","8","1","HB7456","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of pencycuron","Acta Crystallographica Section E","2015","71","8","o532","","10.1107/S2056989015012414","","","0.71073","MoKα","","0.0512","0.0372","","","0.0889","0.0946","","","","","","1.037","","","","has coordinates,has Fobs","139971","2020-10-21","18:00:00",""
"2240905","7.6702","0.0001","12.6492","0.0003","22.9821","0.0005","90","","90","","90","","2229.77","0.08","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C104 H80 N16 S8 -","8","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 2-(2-methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2015","71","8","o562","o563","10.1107/S2056989015012797","","","1.54184","CuKα","","0.0401","0.035","","","0.0995","0.1056","","","","","","1.025","","","","has coordinates,has Fobs","140989","2020-10-21","18:00:00",""
"2240934","11.2225","0.0003","14.8991","0.0004","17.2727","0.0005","90","","90","","90","","2888.08","0.14","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ferrocenylmethyl)dimethylammonium hydrogen oxalate","","- C15 H19 Fe N O4 -","- C15 H19 Fe N O4 -","- C120 H152 Fe8 N8 O32 -","8","1","WM5182","Ndiaye, Mamadou; Samb, Abdoulaye; Diop, Libasse; Maris, Thierry","Crystal structure of (ferrocenylmethyl)dimethylammonium hydrogen oxalate","Acta Crystallographica Section E","2015","71","8","947","949","10.1107/S205698901501333X","","","1.34139","GaKα","","0.0239","0.0223","","","0.0607","0.062","","","","","","1.032","","","","has coordinates,has Fobs","152268","2020-10-21","18:00:00",""
"2240948","10.4087","0.0018","8.5848","0.0015","13.095","0.002","90","","90","","90","","1170.1","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-Dimethylmaleic anhydride","3,4-Dimethylfuran-2,5-dione","","- C6 H6 O3 -","- C6 H6 O3 -","- C48 H48 O24 -","8","1","ZS2339","Wiscons, Ren A.; Zeller, Matthias; Rowsell, Jesse L. C.","Crystal structure of 2,3-dimethylmaleic anhydride: continuous chains of electrostatic attraction","Acta Crystallographica Section E","2015","71","8","950","955","10.1107/S2056989015013419","","","0.71073","MoKα","","0.0406","0.0371","","","0.0982","0.1013","","","","","","1.073","","","","has coordinates,has Fobs","152449","2020-10-21","18:00:00",""
"2240949","10.0676","0.0002","8.0279","0.0001","40.9129","0.0007","90","","90","","90","","3306.65","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pyriproxyfen","4-Phenoxyphenyl (<i>RS</i>)-2-[(pyridin-2-yl)oxy]propyl ether","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","HB7462","Kang, Gihaeng; Kim, Jineun; Park, Hyunjin; Kim, Tae Ho","Crystal structure of pyriproxyfen","Acta Crystallographica Section E","2015","71","8","o588","","10.1107/S2056989015013481","","","0.71073","MoKα","","0.0739","0.0556","","","0.14","0.1481","","","","","","1.04","","","","has coordinates,has Fobs","152450","2020-10-21","18:00:00",""
"2240950","9.8184","0.0002","11.3286","0.0003","18.9569","0.0005","90","","90","","90","","2108.55","0.09","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metobromuron","3-(4-Bromophenyl)-1-methoxy-1-methylurea","","- C9 H11 Br N2 O2 -","- C9 H11 Br N2 O2 -","- C72 H88 Br8 N16 O16 -","8","1","HG5451","Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho","Crystal structure of metobromuron","Acta Crystallographica Section E","2015","71","8","o589","","10.1107/S205698901501347X","","","0.71073","MoKα","","0.0466","0.029","","","0.0603","0.0663","","","","","","1.033","","","","has coordinates,has Fobs","152451","2020-10-21","18:00:00",""
"2240965","14.0714","0.0006","12.1888","0.0004","21.3543","0.0007","90","","90","","90","","3662.6","0.2","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(acetylacetonato)dichloridodi-μ~3~-methanolato-tetra-μ~2~-methanolato-tetrairon(III)","","- C26 H46 Cl2 Fe4 O14 -","- C26 H46 Cl2 Fe4 O14 -","- C104 H184 Cl8 Fe16 O56 -","4","0.5","CV5491","Richers, Casseday P.; Bertke, Jeffery A.; Gray, Danielle L.; Rauchfuss, Thomas B.","Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ~3~-methanolato-tetra-μ~2~-methanolato-tetrairon(III)","Acta Crystallographica Section E","2015","71","8","976","979","10.1107/S2056989015013535","","","0.71073","MoKα","","0.04","0.0282","","","0.0658","0.0699","","","","","","1.044","","","","has coordinates,has Fobs","153022","2020-10-21","18:00:00",""
"2240966","13.4231","0.0004","8.9892","0.0003","18.8407","0.0006","90","","90","","90","","2273.37","0.12","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","7,8-Benzocoumarin-4-acetic acid","2-(2-Oxo-2<i>H</i>-benzo[<i>h</i>]chromen-4-yl)acetic acid","","- C15 H10 O4 -","- C15 H10 O4 -","- C120 H80 O32 -","8","1","","Swamy, R. Ranga; Gowda, Ramakrishna; Gowda, K. V. Arjuna; Basanagouda, Mahantesha","Crystal structure of 7,8-benzocoumarin-4-acetic acid","Acta Crystallographica Section E","2015","71","8","o617","o618","10.1107/S2056989015014103","","","0.71073","MoKα","","0.082","0.0441","","","0.1018","0.1375","","","","","","1.148","","","","has coordinates,has Fobs","153023","2020-10-21","18:00:00",""
"2240995","7.3112","0.0004","16.0793","0.0009","22.8994","0.0013","90","","90","","90","","2692","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(<i>E</i>)-(3,4-Dimethoxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C12 H14 N4 O2 S -","- C12 H14 N4 O2 S -","- C96 H112 N32 O16 S8 -","8","1","HB7466","Manjula, Padmanabha S.; Sarojini, Balladka K.; Yathirajan, Hemmige S.; Akkurt, Mehmet; Ersanlı, Cem Cüneyt; Glidewell, Christopher","The crystal structures of three 3-methyl-1<i>H</i>-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(<i>E</i>)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione and a redetermination of 4-amino-3-methyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2015","71","9","1003","1009","10.1107/S205698901501422X","","","0.71073","MoKα","","0.0848","0.0565","","","0.1124","0.1232","","","","","","1.081","","","","has coordinates,has Fobs","153381","2020-10-21","18:00:00",""
"2241031","11.3441","0.0006","10.3047","0.0006","20.6397","0.0011","90","","90","","90","","2412.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2,2,2-Tribromo-<i>N</i>-[3-(trifluoromethyl)phenyl]acetamide","","- C9 H5 Br3 F3 N O -","- C9 H5 Br3 F3 N O -","- C72 H40 Br24 F24 N8 O8 -","8","1","HB7472","Sreenivasa, S.; Naveen, S.; Lokanath, N. K.; Supriya, G. M.; Lakshmikantha, H. N.; Suchetan, P. A.","Crystal structures of three <i>N</i>-aryl-2,2,2-tribromoacetamides","Acta Crystallographica Section E","2015","71","9","1048","1053","10.1107/S2056989015015248","","","1.54178","CuKα","","0.0398","0.0395","","","0.1016","0.102","","","","","","1.219","","","","has coordinates,has Fobs","153592","2020-10-21","18:00:00",""
"2241035","13.078","0.0012","7.2354","0.0007","22.262","0.002","90","","90","","90","","2106.5","0.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Methyl 2-(7-hydroxy-2-oxo-2<i>H</i>-chromen-4-yl)acetate","","- C12 H10 O5 -","- C12 H10 O5 -","- C96 H80 O40 -","8","1","HB7469","Yousuf, Sammer; Hussain, Shafqat; Khan, Khalid Mohammed; Shabeer, Muhammad; Perveen, Shahnaz","Crystal structure of methyl 2-(7-hydroxy-2-oxo-2<i>H</i>-chromen-4-yl)acetate","Acta Crystallographica Section E","2015","71","9","o677","o678","10.1107/S2056989015014061","","","0.71073","MoKα","","0.0434","0.037","","","0.0972","0.104","","","","","","1.026","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241048","10.7068","0.0003","17.875","0.0004","28.1694","0.0007","90","","90","","90","","5391.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","10-Benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C256 H296 N8 O32 -","8","1","SU5190","Sureshbabu, N.; Sughanya, V.","Crystal structure of 10-benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2015","71","9","o688","o689","10.1107/S2056989015014966","","","0.71073","MoKα","","0.0793","0.042","","","0.0986","0.1191","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241072","5.964","0.004","9.51","0.006","26.192","0.016","90","","90","","90","","1485.5","1.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,6-Dichloro-4-nitropyridine <i>N</i>-oxide","","- C5 H2 Cl2 N2 O3 -","- C5 H2 Cl2 N2 O3 -","- C40 H16 Cl16 N16 O24 -","8","1","TK5385","Prichard, Andrew M.; Lynch, Will E.; Padgett, Clifford W.","Crystal structure of 2,6-dichloro-4-nitropyridine <i>N</i>-oxide","Acta Crystallographica Section E","2015","71","10","o775","","10.1107/S2056989015017387","","","0.71073","MoKα","","0.0374","0.0322","","","0.0752","0.0781","","","","","","1.092","","","","has coordinates,has Fobs","158326","2020-10-21","18:00:00",""
"2241110","7.4131","0.0005","18.8596","0.0013","19.0166","0.0013","90","","90","","90","","2658.7","0.3","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-Hydroxy-2-(2-oxocycloheptyl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","1","XU5867","Ahamed, P. Kaleel; Srinivasan, N.; Ranjith Kumar, R.; Krishnakumar, R. V.","Crystal structure of 2-hydroxy-2-(2-oxocycloheptyl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione","Acta Crystallographica Section E","2015","71","10","o715","o716","10.1107/S2056989015016126","","","0.71073","MoKα","","0.0491","0.0451","","","0.1156","0.1192","","","","","","1.033","","","","has coordinates,has Fobs","158363","2020-10-21","18:00:00",""
"2241124","14.501","0.005","22.898","0.005","12.468","0.004","90","","90","","90","","4140","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,5-Diethyl-3',5'-diphenyl-1,5-dihydro-3'<i>H</i>-spiro[pyrazolo[3,4-<i>d</i>]pyrimidine-4,2'-[1,3,4]thiadiazole]","","- C22 H22 N6 S -","- C22 H22 N6 S -","- C176 H176 N48 S8 -","8","1","TK5387","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of 1,5-diethyl-3',5'-diphenyl-1,5-dihydro-3'<i>H</i>-spiro[pyrazolo[3,4-<i>d</i>]pyrimidine-4,2'-[1,3,4]thiadiazole]","Acta Crystallographica Section E","2015","71","10","o769","o770","10.1107/S2056989015017405","","","0.71073","MoKα","","0.0951","0.0478","","","0.1133","0.1377","","","","","","1.001","","","","has coordinates,has Fobs","158375","2020-10-21","18:00:00",""
"2241134","8.9642","0.0008","17.6283","0.0016","26.976","0.003","90","","90","","90","","4262.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>η^6^</i>-<i>p</i>-Cymene)(3-amino-2-phenylazopyridine)\ chloridoruthenium(II) chloride","","- C21 H24 Cl2 N4 Ru -","- C21 H24 Cl2 N4 Ru -","- C168 H192 Cl16 N32 Ru8 -","8","1","ZQ2235","Hansongnern, Kanidtha; Sansook, Supojjanee; Romin, Thassani; Nimthong Roldan, Arunpatcha; Pakawatchai, Chaveng","Crystal structure of (<i>{η</i>^6^}-<i>p</i>-cymene)(3-amino-2-phenylazopyridine)chloridoruthenium(II) chloride","Acta Crystallographica Section E","2015","71","10","m185","m186","10.1107/S2056989015017466","","","0.71073","MoKα","","0.0927","0.074","","","0.1283","0.1362","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","158384","2020-10-21","18:00:00",""
"2241135","16.6046","0.0008","15.5955","0.0007","23.2786","0.0012","90","","90","","90","","6028.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)","","- C24 H26 F12 N4 Ru Sb2 -","- C24 H26 F12 N4 Ru Sb2 -","- C192 H208 F96 N32 Ru8 Sb16 -","8","1","IS5413","Sollert, Carina; Orthaber, Andreas; Pilarski, Lukasz T.","Crystal structure of acetonitrile[η^6^-1-methyl-4-(1-methylethyl)benzene][1-(pyrimidin-2-yl)-3<i>H</i>-indol-1-ium-2-yl-κ^2^<i>N</i>,<i>C</i>]ruthenium(II) bis(hexafluoridoantimonate)","Acta Crystallographica Section E","2015","71","10","1190","1192","10.1107/S2056989015016710","","","0.71073","MoKα","","0.0575","0.0334","","","0.0653","0.074","","","","","","1.011","","","","has coordinates,has Fobs","158385","2020-10-21","18:00:00",""
"2241241","11.0299","0.0002","14.1131","0.0002","20.2211","0.0003","90","","90","","90","","3147.74","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-Diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C144 H128 N32 O8 -","8","1","RZ5174","Karrouchi, Khalid; Ansar, M'hammed; Radi, Smaail; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of <i>N</i>'-diphenylmethylidene-5-methyl-1<i>H</i>-pyrazole-3-carbohydrazide","Acta Crystallographica Section E","2015","71","11","o890","o891","10.1107/S2056989015020071","","","0.71073","MoKα","","0.0567","0.0467","","","0.1274","0.1362","","","","","","1.041","","","","has coordinates,has Fobs","169834","2020-10-21","18:00:00",""
"2241259","13.4419","0.0007","7.4576","0.0004","17.7662","0.0009","90","","90","","90","","1780.96","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[[4-(2-aminoethyl)-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^4^](azido-κ<i>N</i>^1^)copper(II)]","","- C12 H18 Cu2 N12 O4 -","- C12 H18 Cu2 N12 O4 -","- C48 H72 Cu8 N48 O16 -","4","0.5","ZL2645","Liu, Chen; Abboud, Khalil A.","Crystal structures of μ-oxalato-bis[azido(histamine)copper(II)] and μ-oxalato-bis[(dicyanamido)(histamine)copper(II)]","Acta Crystallographica Section E","2015","71","11","1379","1383","10.1107/S2056989015019908","","","0.71073","MoKα","","0.031","0.0256","","","0.0674","0.0695","","","","","","1.076","","","","has coordinates,has Fobs","169849","2020-10-21","18:00:00",""
"2241295","18.758","0.003","15.769","0.002","27.157","0.004","90","","90","","90","","8033","2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)","","- C42 H40 Cl4 Co O2 P2 -","- C42 H40 Cl4 Co O2 P2 -","- C336 H320 Cl32 Co8 O16 P16 -","8","1","WM5224","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Crystal structure of bis(acetonyltriphenylphosphonium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2015","71","12","m209","m210","10.1107/S2056989015019180","","","0.71073","MoKα","","0.0509","0.0384","","","0.09","0.0972","","","","","","1.061","","","","has coordinates,has Fobs","170177","2020-10-21","18:00:00",""
"2241334","11.9129","0.0005","9.6914","0.0004","27.822","0.0011","90","","90","","90","","3212.1","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C144 H152 N24 S8 -","8","1","HB7536","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Aziz, Ahmed T. Abdel-; Albayati, Mustafa R.","Crystal structure of 3-benzyl-1-[(1,2,3,4-tetrahydronaphthalen-1-ylidene)amino]thiourea","Acta Crystallographica Section E","2015","71","12","o974","o975","10.1107/S2056989015021064","","","1.54178","CuKα","","0.0398","0.0345","","","0.093","0.0979","","","","","","1.058","","","","has coordinates,has Fobs","170452","2020-10-21","18:00:00",""
"2241392","8.7477","0.0004","13.8218","0.0007","26.6422","0.0013","90","","90","","90","","3221.3","0.3","120","2","120.02","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dimethoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C128 H160 O48 -","16","2","FF2145","Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R.","Crystal structure of 3,4-dimethoxyphenol","Acta Crystallographica Section E","2015","71","12","o1019","","10.1107/S2056989015022860","","","0.71073","MoKα","","0.0514","0.0423","","","0.1095","0.1156","","","","","","1.042","","","","has coordinates,has Fobs","171474","2020-10-21","18:00:00",""
"2241408","13.8558","0.0003","15.4983","0.0004","16.1108","0.0004","90","","90","","90","","3459.65","0.14","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","{Bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)","","- C16 H14 Cl2 Hg N4 S -","- C16 H14 Cl2 Hg N4 S -","- C128 H112 Cl16 Hg8 N32 S8 -","8","1","IM2475","Bouchouit, Mehdi; Benzerka, Saida; Bouraiou, Abdelmalek; Merazig, Hocine; Belfaitah, Ali; Bouacida, Sofiane","Crystal structure of {bis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]sulfane}dichloridomercury(II)","Acta Crystallographica Section E","2015","71","12","m253","m254","10.1107/S205698901502349X","","","0.71073","MoKα","","0.0345","0.0202","","","0.041","0.0455","","","","","","1.007","","","","has coordinates,has Fobs","171500","2020-10-21","18:00:00",""
"2241418","12.317","0.002","12.289","0.002","14.44","0.002","90","","90","","90","","2185.7","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-\ κ<i>N</i>^1^)dichloridodicadmium]","","- C12 H26 Cd2 Cl6 N4 -","- C12 H26 Cd2 Cl6 N4 -","- C48 H104 Cd8 Cl24 N16 -","4","0.5","WM5244","Yan, Jing-Jing; Pan, Qi-Jian; Chen, Li-Zhuang","Crystal structure of di-μ~2~-chlorido-bis[(1-aza-4-azoniabicyclo[2.2.2]octane-κ<i>N</i>^1^)dichloridodicadmium]","Acta Crystallographica Section E","2015","71","12","m259","m260","10.1107/S2056989015023361","","","0.71073","MoKα","","0.0582","0.0542","","","0.1801","0.1829","","","","","","1.122","","","","has coordinates,has Fobs","171510","2020-10-21","18:00:00",""
"2241419","10.997","0.002","7.7489","0.0009","27.852","0.004","90","","90","","90","","2373.4","0.6","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(±)-(3a<i>R</i>,4<i>S</i>,5<i>S</i>,6a<i>S</i>)-4-Methyl-5-phenylhexahydro-1<i>H</i>-cyclopenta[<i>c</i>]furan-4,5-diol","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring <i>C</i> of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.1808","0.0945","","","0.126","0.1482","","","","","","1.091","","","","has coordinates,has Fobs","176630","2020-10-21","18:00:00",""
"2241428","14.6408","0.0016","12.9891","0.0014","16.819","0.0018","90","","90","","90","","3198.5","0.6","193","2","193.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Di-μ-chlorido-bis[chloridobis(tri-<i>tert</i>-butylphosphane)zinc]","","- C24 H54 Cl4 P2 Zn2 -","- C24 H54 Cl4 P2 Zn2 -","- C96 H216 Cl16 P8 Zn8 -","4","0.5","PK2569","Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.","Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane","Acta Crystallographica Section E","2016","72","1","35","39","10.1107/S2056989015023373","","","0.71073","MoKα","","0.101","0.0449","","","0.0797","0.0985","","","","","","1.003","","","","has coordinates,has Fobs","176638","2020-10-21","18:00:00",""
"2241437","7.568","0.005","8.879","0.005","19.168","0.005","90","","90","","90","","1288","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[diaqua(μ-2-carboxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-cobalt(II)]","","- C6 H10 Cl2 Co2 O10 -","- C6 H10 Cl2 Co2 O10 -","- C24 H40 Cl8 Co8 O40 -","4","0.5","WM5235","Bouaoud, Yasmina; Setifi, Zouaoui; Buvailo, Andrii; Potaskalov, Vadim A.; Merazig, Hocine; Dénés, Georges","Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'')(2-carboxyacetato-κ<i>O</i>)di-μ-chlorido-dicobalt(II)]","Acta Crystallographica Section E","2016","72","1","21","24","10.1107/S2056989015023269","","","0.71073","MoKα","","0.0711","0.0459","","","0.1057","0.1159","","","","","","1.053","","","","has coordinates,has Fobs","176651","2020-10-21","18:00:00",""
"2241438","14.2425","0.0003","15.4113","0.0003","16.8537","0.0003","90","","90","","90","","3699.31","0.12","100","2","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide","","- C10 H32 I N5 Zr -","- C10 H32 I N5 Zr -","- C80 H256 I8 N40 Zr8 -","8","1","PK2563","Clark, Wesley D.; Akurathi, Gopalakrishna; Valle, Henry U.; Hollis, T. Keith","Crystal structure of tris(dimethylamido-κ<i>N</i>)bis(dimethylamine-κ<i>N</i>)zirconium(IV) iodide","Acta Crystallographica Section E","2016","72","1","73","75","10.1107/S2056989015023919","","","0.71073","MoKα","","0.0173","0.0146","","","0.0351","0.0363","","","","","","1.067","","","","has coordinates,has Fobs","176653","2020-10-21","18:00:00",""
"2241480","13.3524","0.0005","11.3802","0.0003","27.4261","0.0014","90","","90","","90","","4167.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide","","- C15 H33 Br2 N3 O Si -","- C15 H33 Br2 N3 O Si -","- C120 H264 Br16 N24 O8 Si8 -","8","1","FF2146","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","Crystal structure of 2-bromo-3-dimethylamino-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',4-pentamethyl-4-(trimethylsilyloxy)pent-2-eneamidinium bromide","Acta Crystallographica Section E","2015","71","12","o1061","o1062","10.1107/S205698901502383X","","","0.71073","MoKα","","0.1058","0.0607","","","0.0901","0.0988","","","","","","1.174","","","","has coordinates","174729","2020-10-21","18:00:00",""
"2241503","10.1709","0.0004","8.4461","0.0003","21.5569","0.0009","90","","90","","90","","1851.83","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Piperazine-1,4-diium bis(4-aminobenzenesulfonate)","","- C16 H24 N4 O6 S2 -","- C16 H24 N4 O6 S2 -","- C64 H96 N16 O24 S8 -","4","0.5","SU5262","Kumar, K. Sathesh; Ranjith, S.; Sudhakar, S.; Srinivasan, P.; Ponnuswamy, M. N.","Crystal structure of piperazine-1,4-diium bis(4-aminobenzenesulfonate)","Acta Crystallographica Section E","2015","71","12","o1084","o1085","10.1107/S2056989015024457","","","0.71073","MoKα","","0.056","0.0384","","","0.0933","0.1068","","","","","","1.031","","","","has coordinates,has Fobs","174756","2020-10-21","18:00:00",""
"2241505","10.231","0.005","7.584","0.003","41.816","0.018","90","","90","","90","","3245","2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","(1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime","(1<i>Z</i>,2<i>E</i>)-3-phenylprop-2-enal oxime","","- C9 H9 N O -","- C9 H9 N O -","- C144 H144 N16 O16 -","16","2","SU5260","Bugenhagen, Bernhard; Al Soom, Nuha; Al Jasem, Yosef; Thiemann, Thies","Crystal structure of (1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime","Acta Crystallographica Section E","2015","71","12","o1063","o1064","10.1107/S2056989015023853","","","0.71073","MoKα","","0.0451","0.043","","","0.1118","0.1132","","","","","","1.096","","","","has coordinates,has Fobs","174758","2020-10-21","18:00:00",""
"2241507","14.5166","0.0017","15.9102","0.0018","16.0527","0.0018","90","","90","","90","","3707.6","0.7","120","2","119.97","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Diethylamino)phenol","","- C10 H15 N O -","- C10 H15 N O -","- C160 H240 N16 O16 -","16","2","FF2147","Golen, James A.; McDonald, Kyle J.; Manke, David R.","Crystal structure of 3-(diethylamino)phenol","Acta Crystallographica Section E","2015","71","12","o1075","","10.1107/S2056989015024226","","","1.54178","CuKα","","0.0603","0.0423","","","0.0972","0.1069","","","","","","1.021","","","","has coordinates,has Fobs","174760","2020-10-21","18:00:00",""
"2241514","15.263","0.016","7.745","0.008","20.41","0.02","90","","90","","90","","2413","4","273","","273","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Bromo-9-ethyl-9<i>H</i>-carbazole","","- C14 H12 Br N -","- C14 H12 Br N -","- C112 H96 Br8 N8 -","8","1","","Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas","Crystal structure of 3-bromo-9-ethyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2015","71","12","o1067","o1068","10.1107/S2056989015023907","","","0.71075","MoKα","","","0.0779","","","","0.2364","","","","","","1.054","","","","has coordinates,has Fobs","174767","2020-10-21","18:00:00",""
"2241524","13.469","0.003","13.48","0.003","13.442","0.002","90","","90","","90","","2440.6","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium nickel silicon oxide","Dirubidium nickel(II) pentasilicate","","- Ni O12 Rb2 Si5 -","- Ni O12 Rb2 Si5 -","- Ni8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~ (<i>X</i> = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.817","","","","","","","has coordinates,has Fobs","175185","2020-10-21","18:00:00",""
"2241525","13.4085","0.001","13.6979","0.0011","13.5761","0.001","90","","90","","90","","2493.5","0.3","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","rubidium manganese silicon oxide","Dirubidium managnese(II) pentasilicate","","- Mn O12 Rb2 Si5 -","- Mn O12 Rb2 Si5 -","- Mn8 O96 Rb16 Si40 -","8","1","VN2106","Bell, Anthony M. T.; Henderson, C. Michael B.","Rietveld refinement of the crystal structures of Rb~2~<i>X</i>Si~5~O~12~ (<i>X</i> = Ni, Mn).","Acta Crystallographica Section E","2016","72","2","249","252","10.1107/S2056989016001390","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.263","","","","","","","has coordinates","175185","2020-10-21","18:00:00",""
"2241537","10.4277","0.0007","10.7014","0.0007","18.7154","0.0013","90","","90","","90","","2088.5","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>meso</i>-2,6-Dibromoheptanedioic acid","","- C7 H10 Br2 O4 -","- C7 H10 Br2 O4 -","- C56 H80 Br16 O32 -","8","1","PK2573","Dirda, Nathaniel D. A.; Zavalij, Peter Y.; Kao, Joseph P. Y.","Crystal and molecular structure of <i>meso</i>-2,6-dibromoheptanedioic acid (<i>meso</i>-2,6-dibromopimelic acid)","Acta Crystallographica Section E","2016","72","3","322","324","10.1107/S2056989016001754","","","0.71073","MoKα","","0.0539","0.0359","","","0.0777","0.0841","","","","","","1.076","","","","has coordinates,has Fobs","176355","2020-10-21","18:00:00",""
"2241577","12.114","0.003","10.656","0.003","34.043","0.009","90","","90","","90","","4395","2","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κ<i>N</i>)platinate(II)","","- C16 H27 Br3 N2 Pt S -","- C16 H27 Br3 N2 Pt S -","- C128 H216 Br24 N16 Pt8 S8 -","8","1","BG2580","Carmona-Negrón, José A.; Cádiz, Mayra E.; Moore, Curtis E.; Rheingold, Arnold L.; Meléndez, Enrique","New platinum(II) complexes with benzothiazole ligands","Acta Crystallographica Section E","2016","72","3","412","416","10.1107/S2056989016002826","","","0.71073","MoKα","","0.0412","0.0314","","","0.0758","0.081","","","","","","1.033","","","","has coordinates,has Fobs","176875","2020-10-21","18:00:00",""
"2241597","8.8487","0.0013","8.1514","0.0011","29.284","0.004","90","","90","","90","","2112.2","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 4-bromo-2-(methoxymethoxy)benzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C80 H88 Br8 O32 -","8","1","","Suchetan, P. A.; Suneetha, V.; Naveen, S.; Lokanath, N. K.; Krishna Murthy, P.","Comparison of the crystal structures of methyl 4-bromo-2-(methoxymethoxy)benzoate and 4-bromo-3-(methoxymethoxy)benzoic acid","Acta Crystallographica Section E","2016","72","4","477","481","10.1107/S2056989016003777","","","1.54178","CuKα","","0.0529","0.0522","","","0.1382","0.1392","","","","","","1.136","","","","has coordinates","178113","2020-10-21","18:00:00",""
"2241606","10.612","0.0004","10.8219","0.0004","21.7591","0.0008","90","","90","","90","","2498.86","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)","","- C22 H34 Mn N4 O8 -","- C22 H34 Mn N4 O8 -","- C88 H136 Mn4 N16 O32 -","4","0.5","WM5277","Ibragimov, Aziz B.; Zakirov, Bakhtiyar S.; Ashurov, Jamshid M.","Crystal structure of <i>trans</i>-bis(diethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) bis(3-aminobenzoate)","Acta Crystallographica Section E","2016","72","4","502","504","10.1107/S2056989016004072","","","1.54184","CuKα","","0.0736","0.0445","","","0.1108","0.1359","","","","","","1.056","","","","has coordinates,has Fobs","178198","2020-10-21","18:00:00",""
"2241615","16.5415","0.0009","14.66","0.0011","17.0026","0.0012","90","","90","","90","","4123.1","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Acetonitrilechloridobis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C24 H19 Cl N3 Rh -","- C24 H19 Cl N3 Rh -","- C192 H152 Cl8 N24 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0258","0.0237","","","0.0592","0.0602","","","","","","1.071","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241616","10.6964","0.0007","15.5329","0.0009","32.6325","0.0015","90","","90","","90","","5421.8","0.5","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Methanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C29 H30 N4 O4.5 Rh -","- C29 H29 N4 O4.5 Rh -","- C232 H232 N32 O36 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0407","0.0343","","","0.0916","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241617","11.1082","0.0005","15.5556","0.0006","32.6747","0.0015","90","","90","","90","","5646","0.4","192","2","192","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>OC</i>-6-42)-Ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κ<i>N</i>^1^)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III)","","- C31 H33 N4 O4 Rh -","- C31 H33 N4 O4 Rh -","- C248 H264 N32 O32 Rh8 -","8","1","IS5448","Sakate, Mika; Hosoda, Haruka; Suzuki, Takayoshi","Crystal structures of bis[2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1{-}) ligand","Acta Crystallographica Section E","2016","72","4","543","547","10.1107/S2056989016004837","","","0.71075","MoKα","","0.0322","0.0291","","","0.0741","0.0757","","","","","","1.072","","","","has coordinates,has Fobs","179691","2020-10-21","18:00:00",""
"2241649","7.5071","0.0002","23.6113","0.0008","24.518","0.0008","90","","90","","90","","4345.9","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>S</i>*,2<i>R</i>*)-7-Benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C200 H216 N8 O32 S8 -","8","1","SU5286","Tewes, Bastian; Frehland, Bastian; Fröhlich, Roland; Wünsch, Bernhard","Crystal structure of (1<i>S</i>*,2<i>R</i>*)-7-benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-1-ol: elucidation of the relative configuration of potent allosteric GluN2B selective NMDA receptor antagonists","Acta Crystallographica Section E","2016","72","5","683","686","10.1107/S2056989016005855","","","1.54178","CuKα","","0.0625","0.0576","","","0.1467","0.1506","","","","","","1.101","","","","has coordinates,has Fobs","182291","2020-10-21","18:00:00",""
"2241685","9.2164","0.0005","20.376","0.0009","21.8731","0.0009","90","","90","","90","","4107.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1<i>H</i>-5-oxatetraphen-1-one","","- C26 H24 O5 -","- C26 H24 O5 -","- C208 H192 O40 -","8","1","HB7584","Jotani, Mukesh M.; Iniyavan, P.; Vijayakumar, V.; Sarveswari, S.; Tan, Yee Seng; Tiekink, Edward R. T.","12-(3,4,5-Trimethoxyphenyl)-2,3,4,12-tetrahydro-1<i>H</i>-5-oxatetraphen-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","809","814","10.1107/S2056989016007775","","","0.71073","MoKα","","0.0485","0.0396","","","0.0932","0.0995","","","","","","1.036","","","","has coordinates,has Fobs","182947","2020-10-21","18:00:00",""
"2241696","7.2124","0.0009","14.1782","0.0019","20.794","0.003","90","","90","","90","","2126.4","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1-(Pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione","(2<i>Z</i>)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","HB7587","Lee, Sze-Ling; Tan, Ai Ling; Young, David J.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(2<i>Z</i>)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2016","72","6","849","853","10.1107/S205698901600832X","","","0.71073","MoKα","","0.0521","0.0422","","","0.1137","0.1205","","","","","","1.045","","","","has coordinates,has Fobs","183122","2020-10-21","18:00:00",""
"2241792","10.998","0.002","9.276","0.0017","25.661","0.005","90","","90","","90","","2617.9","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-[(4-Carboxybenzyl)oxy]isophthalic acid","5-[(4-Carboxybenzyl)oxy]benzene-1,3-dicarboxylic acid","","- C16 H12 O7 -","- C16 H12 O7 -","- C128 H96 O56 -","8","1","SU5300","Faizi, Md. Serajul Haque; Ahmad, Musheer; Ali, Akram; Potaskalov, Vadim A.","Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid","Acta Crystallographica Section E","2016","72","8","1219","1222","10.1107/S2056989016011762","","","0.71073","MoKα","","0.0495","0.0398","","","0.0939","0.1017","","","","","","1.069","","","","has coordinates,has Fobs","184733","2020-10-21","18:00:00",""
"2241806","10.7041","0.0004","7.5724","0.0003","28.6619","0.0011","90","","90","","90","","2323.21","0.15","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C96 H80 Cl8 N24 O8 -","8","1","SU5316","Narayana, Badiadka; Yathirajan, Hemmige S.; Rathore, Ravindranath; Glidewell, Christopher","Crystal structures of two C,N-disubstituted acetamides: 2-(4-chlorophenyl)-<i>N</i>-(2-iodophenyl)acetamide and 2-(4-chlorophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2016","72","9","1270","1275","10.1107/S2056989016012512","","","0.71073","MoKα","","0.0745","0.0471","","","0.1185","0.1363","","","","","","1.022","","","","has coordinates,has Fobs","185710","2020-10-21","18:00:00",""
"2241853","8.3925","0.0009","14.0939","0.0015","15.8448","0.0017","90","","90","","90","","1874.2","0.3","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)glycinato]chloridocobalt(II)","","- C6 H12 Cl Co N O4 -","- C6 H12 Cl Co N O4 -","- C48 H96 Cl8 Co8 N8 O32 -","8","1","LH5821","Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling","Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the <i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycine anion","Acta Crystallographica Section E","2016","72","10","1463","1467","10.1107/S2056989016014596","","","0.71073","MoKα","","0.026","0.0252","","","0.065","0.0656","","","","","","1.135","","","","has coordinates,has Fobs","186750","2020-10-21","18:00:00",""
"2241862","8.1798","0.0008","15.8675","0.0013","27.775","0.004","90","","90","","90","","3605","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II)","","- C18 H16 Fe N10 -","- C18 H16 Fe N10 -","- C144 H128 Fe8 N80 -","8","1","PJ2035","Setifi, Fatima; Moon, Dohyun; Koen, Robeyns; Setifi, Zouaoui; Lamsayah, Morad; Touzani, Rachid","Crystal structure of bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II)","Acta Crystallographica Section E","2016","72","10","1488","1491","10.1107/S2056989016014808","","","0.71073","MoKα","","0.136","0.0527","","","0.0966","0.1205","","","","","","0.969","","","","has coordinates,has Fobs","186856","2020-10-21","18:00:00",""
"2241918","15.7497","0.0002","7.7375","0.0001","18.8126","0.0002","90","","90","","90","","2292.57","0.05","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Pentaamine dioxido uranium(V) nitrate ammoniate","Pentaammine dioxide uranium(V) nitrate ammonia monosolvate","","- H18 N7 O5 U -","- H18 N7 O5 U -","- H144 N56 O40 U8 -","8","1","WM5331","Woidy, Patrick; Kraus, Florian","Crystal structure of [UO~2~(NH~3~)~5~]NO~3~·NH~3~","Acta Crystallographica Section E","2016","72","12","1710","1713","10.1107/S2056989016016480","","","0.71073","MoKα","","0.0531","0.0329","","","0.0845","0.0895","","","","","","1.043","","","","has coordinates,has Fobs","187746","2020-10-21","18:00:00",""
"2241938","14.65213","0.00017","17.952","0.0002","24.0079","0.0003","90","","90","","90","","6314.92","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Bromo-3,5-dimethylphenol","","- C8 H9 Br O -","- C8 H9 Br O -","- C256 H288 Br32 O32 -","32","4","IS5462","Navarrete Guitérrez, Angélica; Aguirre Hernández, Gerardo; Bernès, Sylvain","Crystal structures of <i>p</i>-substituted derivatives of 2,6-dimethylbromobenzene with {σcriptstyle{1øver2}} {łeq} <i>Z</i>' {łeq} 4","Acta Crystallographica Section E","2016","72","12","1762","1767","10.1107/S2056989016017485","","","1.54184","CuKα","","0.0323","0.0261","","","0.0625","0.0652","","","","","","1.021","","","","has coordinates,has Fobs","188333","2020-10-21","18:00:00",""
"2241951","11.7112","0.0006","15.9238","0.0006","14.8703","0.0006","90","","90","","90","","2773.1","0.2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis[μ-<i>N</i>^1^,<i>N</i>^2^-bis(propan-2-yl)benzamidinato-κ^2^<i>N</i>^1^:<i>N</i>^2^]disilver(I)","","- C26 H38 Ag2 N4 -","- C26 H38 Ag2 N4 -","- C104 H152 Ag8 N16 -","4","0.5","WM5332","Wang, Sida; Harmgarth, Nicole; Liebing, Phil; Edelmann, Frank T.","Crystal and molecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate","Acta Crystallographica Section E","2016","72","12","1786","1790","10.1107/S2056989016017680","","","0.71073","MoKα","","0.037","0.0238","","","0.044","0.0467","","","","","","0.991","","","","has coordinates,has Fobs","188496","2020-10-21","18:00:00",""
"2241970","9.91","0.002","8.373","0.0017","22.999","0.005","90","","90","","90","","1908.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Cyclohexane-1,2-diammonium chromate(VI)","","- C6 H16 Cr N2 O4 -","- C6 H16 Cr N2 O4 -","- C48 H128 Cr8 N16 O32 -","8","1","WM5343","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of <i>trans</i>-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data","Acta Crystallographica Section E","2016","72","12","1872","1874","10.1107/S2056989016019009","","","0.65","synchrotron","","0.0723","0.0553","","","0.1464","0.1599","","","","","","0.987","","","","has coordinates,has Fobs","188961","2020-10-21","18:00:00",""
"2242036","8.6065","0.0008","12.1558","0.0012","23.82","0.002","90","","90","","90","","2492","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","β-Benzyl <i>DL</i>-aspartate <i>N</i>-carboxyanhydride","Benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","1","SU5349","Kanazawa, Hitoshi; Inada, Aya","Crystal structure of β-benzyl <small>DL</small>-aspartate <i>N</i>-carboxyanhydride","Acta Crystallographica Section E","2017","73","3","445","447","10.1107/S2056989017003024","","","0.71075","MoKα","","0.1083","0.0468","","","0.0974","0.1153","","","","","","0.981","","","","has coordinates,has Fobs","192751","2020-10-21","18:00:00",""
"2242054","12.8756","0.0008","13.3719","0.0008","15.9033","0.001","90","","90","","90","","2738.1","0.3","100","0.5","100","0.5","","","","","","","","4","P b c a","-P 2ac 2ab","61","IrCl(1,5-cod)~2~","Chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","","- C16 H24 Cl Ir -","- C16 H24 Cl Ir -","- C128 H192 Cl8 Ir8 -","8","1","WM5359","Rahman, A. K. Fazlur; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D.","Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)","Acta Crystallographica Section E","2017","73","2","273","277","10.1107/S2056989017000809","","","0.71073","MoKα","","0.0619","0.0347","","","0.0642","0.0721","","","","","","1.005","","","","has coordinates,has Fobs","193928","2020-10-21","18:00:00",""
"2242072","18.2743","0.0012","7.4835","0.0005","19.8021","0.0012","90","","90","","90","","2708.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-(4-Chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","","- C12 H12 Cl N5 O S -","- C12 H12 Cl N5 O S -","- C96 H96 Cl8 N40 O8 S8 -","8","1","SU5348","Subasri, S.; Kumar, Timiri Ajay; Sinha, Barij Nayan; Jayaprakash, Venkatesan; Viswanathan, Vijayan; Velmurugan, Devadasan","Crystal structures of <i>N</i>-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and <i>N</i>-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide","Acta Crystallographica Section E","2017","73","4","467","471","10.1107/S2056989017003243","","","0.71073","MoKα","","0.0971","0.0502","","","0.1341","0.161","","","","","","1.081","","","","has coordinates,has Fobs","194090","2020-10-21","18:00:00",""
"2242113","8.7344","0.0008","9.5967","0.0009","36.41","0.003","90","","90","","90","","3051.9","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(Pyren-1-yl)-1<i>H</i>-benzimidazole","","- C23 H14 N2 -","- C23 H14 N2 -","- C184 H112 N16 -","8","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, S.","Crystal structure and DFT study of 2-(pyren-1-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2017","73","8","1180","1183","10.1107/S2056989017010271","","","0.71073","MoKα","","0.0941","0.049","","","0.097","0.1127","","","","","","1.027","","","","has coordinates,has Fobs","198831","2020-10-21","18:00:00",""
"2242139","7.7463","0.0015","13.235","0.003","25.642","0.005","90","","90","","90","","2628.9","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5-Fluorocytosinium picrate","","- C10 H7 F N6 O8 -","- C10 H7 F N6 O8 -","- C80 H56 F8 N48 O64 -","8","1","ZS2375","Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.","Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate","Acta Crystallographica Section E","2017","73","3","361","364","10.1107/S205698901700216X","","","0.71073","MoKα","","0.0696","0.0582","","","0.1571","0.1738","","","","","","1.087","","","","has coordinates,has Fobs","199116","2020-10-21","18:00:00",""
"2242162","11.9144","0.0016","8.3755","0.0012","30.382","0.004","90","","90","","90","","3031.8","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(4-Bromophenyl)-2-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}- 1-ethanone","","- C15 H10 Br N3 O2 S -","- C15 H10 Br N3 O2 S -","- C120 H80 Br8 N24 O16 S8 -","8","1","HB7660","Bano, Huma; Hussain, Shafqat; Khan, Khalid M.; Perveen, Shahnaz; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one","Acta Crystallographica Section E","2017","73","4","623","626","10.1107/S2056989017004819","","","0.71073","MoKα","","0.053","0.0354","","","0.093","0.1139","","","","","","1.133","","","","has coordinates,has Fobs","199133","2020-10-21","18:00:00",""
"2242207","7.7876","0.0005","19.4656","0.0012","21.7879","0.0013","90","","90","","90","","3302.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C136 H152 N24 O40 -","8","1","LD2140","Vatsadze, Sergey Z.; Manaenkova, Marina A.; Vasilev, Evgeny V.; Venskovsky, Nikolai U.; Khrustalev, Victor N.","Crystal structures and supramolecular features of 9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone, 3,7-diazaspiro[bicyclo[3.3.1]nonane-9,1'-cyclopentane]-2,4,6,8-tetraone and 9-methyl-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetraone dimethylformamide monosolvate","Acta Crystallographica Section E","2017","73","7","1097","1101","10.1107/S2056989017009458","","","0.71073","MoKα","","0.0992","0.0509","","","0.1015","0.1243","","","","","","1.01","","","","has coordinates,has Fobs","199173","2020-10-21","18:00:00",""
"2242216","7.9147","0.0005","16.2171","0.0011","22.5254","0.0016","90","","90","","90","","2891.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","","- C17 H11 F3 O4 -","- C17 H11 F3 O4 -","- C136 H88 F24 O32 -","8","1","HB7688","Low, John Nicolson; Gomes, Ligia R.; Gaspar, Alexandra; Borges, Fernanda","Structure of 7-hydroxy-3-(2-methoxyphenyl)-2-trifluoromethyl-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2017","73","8","1130","1134","10.1107/S2056989017009896","","","0.71075","MoKα","","0.0446","0.0355","","","0.0947","0.103","","","","","","1.018","","","","has coordinates,has Fobs","199181","2020-10-21","18:00:00",""
"2242252","16.4313","0.0007","7.1909","0.0003","24.7345","0.0011","90","","90","","90","","2922.5","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Bis[(<i>E</i>)-benzylideneamino)propan-2-ol","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C136 H144 N16 O8 -","8","1","SJ5523","Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael","Crystal structure of 1,3-bis[(<i>E</i>)-benzylideneamino]propan-2-ol","Acta Crystallographica Section E","2017","73","4","627","629","10.1107/S2056989017004741","","","0.71073","MoKα","","0.0582","0.0464","","","0.1049","0.1106","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","199212","2020-10-21","18:00:00",""
"2242336","8.956","0.004","10.697","0.005","20.331","0.009","90","","90","","90","","1947.8","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ~3~-3-(1<i>H</i>-benzimidazol-2-yl)propionato]zinc(II)]","","- C10 H8 N2 O2 Zn -","- C10 H8 N2 O2 Zn -","- C80 H64 N16 O16 Zn8 -","8","1","LH5857","Li, Xiao-Yan; Peng, Yong-Qiong; Li, Juan; Fu, Wei-Wei; Liu, Yang; Li, Yu-Ming","Assembly of Zn^II^ and Cd^II^ coordination polymers with different dimensionalities based on the semi-flexible 3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid ligand","Acta Crystallographica Section E","2018","74","1","28","33","10.1107/S2056989017017534","","","0.71073","MoKα","","0.0293","0.0239","","","0.0605","0.0629","","","","","","1.031","","","","has coordinates,has Fobs","205718","2020-10-21","18:00:00",""
"2242342","14.292","0.003","13.729","0.003","17.23","0.003","90","","90","","90","","3380.8","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0517","0.0417","","","0.106","0.1122","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242343","14.245","0.003","13.855","0.003","17.629","0.004","90","","90","","90","","3479.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0598","0.0497","","","0.1336","0.147","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242371","7.793","0.0005","19.0947","0.0016","22.1843","0.0017","90","","90","","90","","3301.1","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM-56; 3-(4-Bromophenyl)-1,5-diphenylformazan","<i>N</i>'-Anilino-4-bromo-<i>N</i>-(phenylimino)benzene-1-carboximidamide","","- C19 H15 Br N4 -","- C19 H15 Br N4 -","- C152 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.1071","0.0574","","","0.1311","0.1525","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","206296","2020-10-21","18:00:00",""
"2242372","7.0881","0.0003","21.2183","0.0011","22.2028","0.0009","90","","90","","90","","3339.2","0.3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM61; 3-(4-Bromophenyl)-1,5-diphenylverdazyl radical","6-(4-Bromophenyl)-2,4-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazin-1-yl","","- C20 H16 Br N4 -","- C20 H16 Br N4 -","- C160 H128 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0326","0.0292","","","0.0738","0.0755","","","","","","1.095","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242373","7.7989","0.0009","18.971","0.003","22.455","0.004","90","","90","","90","","3322.3","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM58NL","5-Anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","","- C20 H15 Br N4 -","- C20 H15 Br N4 -","- C160 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0963","0.0563","","","0.1111","0.126","","","","","","1.053","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242407","15.801","0.006","10.28","0.004","18.46","0.007","90","","90","","90","","2999","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>S</i>)-2-(3-Nitrophenyl)-3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","1","HB7733","Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.","Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2018","74","4","454","457","10.1107/S2056989018003444","","","0.71073","MoKα","","0.1223","0.0776","","","0.1954","0.2163","","","","","","1.188","","","","has coordinates,has Fobs","206839","2020-10-21","18:00:00",""
"2242449","13.2129","0.001","11.1224","0.0008","25.1604","0.0019","90","","90","","90","","3697.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(Anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","1","RZ5230","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","5","650","655","10.1107/S2056989018005467","","","0.71073","MoKα","","0.0512","0.0431","","","0.1059","0.114","","","","","","1.038","","","","has coordinates,has Fobs","207546","2020-10-21","18:00:00",""
"2242497","9.3504","0.0003","13.6265","0.0004","22.879","0.0009","90","","90","","90","","2915.09","0.17","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","1","IS5495","Stikute, Agnese; Skestere, Karina; Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2018","74","6","796","798","10.1107/S2056989018006941","","","0.71073","MoKα","","0.1019","0.0586","","","0.1171","0.1305","","","","","","1.043","","","","has coordinates,has Fobs","207787","2020-10-21","18:00:00",""
"2242519","12.3031","0.0006","10.2629","0.0005","37.856","0.002","90","","90","","90","","4779.9","0.4","108.8","0.4","108.8","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine","Tris(4-methoxy-3,5-dimethylphenyl)phosphane","","- C27 H33 O3 P -","- C27 H33 O3 P -","- C216 H264 O24 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0864","0.0731","","","0.189","0.198","","","","","","1.049","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242520","11.28601","0.00011","11.90008","0.00011","36.3801","0.0003","90","","90","","90","","4886.01","0.08","108.3","0.4","108.3","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine oxide","Tris(4-methoxy-3,5-dimethylphenyl(oxo)-λ^5^-phosphane","","- C27 H33 O4 P -","- C27 H33 O4 P -","- C216 H264 O32 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0424","0.0386","","","0.0979","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242526","6.5023","0.0015","18.779","0.004","20.236","0.004","90","","90","","90","","2471","0.9","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","NH4 Tiron","Diammonium 4,5-dihydroxybenzene-1,3-disulfonate monohydrate","","- C6 H14 N2 O9 S2 -","- C6 H14 N2 O9 S2 -","- C48 H112 N16 O72 S16 -","8","1","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.1106","0.0545","","","0.1064","0.1271","","","","","","1.011","","","","has coordinates,has Fobs","208217","2020-10-21","18:00:00",""
"2242533","10.475","0.004","16.884","0.004","15.514","0.002","90","","90","","90","","2743.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[3-(Azaniumylmethyl)cyclohexyl]methanaminium dinitrate","","- C8 H20 N4 O6 -","- C8 H20 N4 O6 -","- C64 H160 N32 O48 -","8","1","XU5926","Chebbi, Hammouda; Mezrigui, Samia; Ben Jomaa, Meriam; Zid, Mohamed Faouzi","Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclohexanebis(methylammonium): [3-(azaniumylmethyl)cyclohexyl]methanaminium dinitrate","Acta Crystallographica Section E","2018","74","7","949","954","10.1107/S2056989018008381","","","0.71073","MoKα","","0.2211","0.0622","","","0.1211","0.1725","","","","","","0.975","","","","has coordinates,has Fobs","208303","2020-10-21","18:00:00",""
"2242535","8.7657","0.0006","27.285","0.002","14.6938","0.0013","90","","90","","90","","3514.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C168 H112 N32 O16 -","8","1","QM2124","Sen, Pinar; Kansiz, Sevgi; Dege, Necmi; Iskenderov, Turganbay S.; Yildiz, S. Zeki","Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","Acta Crystallographica Section E","2018","74","7","994","997","10.1107/S2056989018008745","","","0.71073","MoKα","","0.1052","0.0444","","","0.0891","0.1056","","","","","","0.906","","","","has coordinates,has Fobs","208531","2020-10-21","18:00:00",""
"2242560","13.921","0.003","11.296","0.002","22.623","0.005","90","","90","","90","","3557.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C176 H160 N16 O16 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1135","0.0742","","","0.1609","0.1896","","","","","","1.045","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2242561","13.928","0.003","10.684","0.002","22.368","0.005","90","","90","","90","","3328.5","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1229","0.0888","","","0.1962","0.2238","","","","","","1.054","","","","has coordinates,has Fobs","209028","2020-10-21","18:00:00",""
"2242576","9.526","0.0019","28.608","0.006","10.27","0.002","90","","90","","90","","2798.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)-2-methylpropanoic acid","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","1","EX2009","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Crystal structures of <i>Z</i>‒Gly‒Aib‒O^{-^}·0.5Ca^2+^·H~2~O and <i>Z</i>‒Gly‒Aib‒OH","Acta Crystallographica Section E","2018","74","8","1173","1177","10.1107/S2056989018010745","","","1.54178","CuKα","","0.0419","0.0364","","","0.0869","0.0903","","","","","","1.094","","","","has coordinates,has Fobs","209275","2020-10-21","18:00:00",""
"2242705","9.582","0.013","11.444","0.015","26.69","0.04","90","","90","","90","","2927","7","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","HB7781","Yennawar, Hemant P.; Silverberg, Lee J.; Cannon, Kevin; Gandla, Deepa; Kondaveeti, Sandeep K.; Zdilla, Michael J.; Nuriye, Ahmed","Crystal structures of two 1,3-thiazolidin-4-one derivatives featuring sulfide and sulfone functional groups","Acta Crystallographica Section E","2018","74","12","1695","1699","10.1107/S2056989018015098","","","0.71073","MoKα","","0.0671","0.0528","","","0.127","0.1353","","","","","","1.076","","","","has coordinates,has Fobs","211853","2020-10-21","18:00:00",""
"2242736","13.164","0.002","7.4692","0.0009","21.173","0.003","90","","90","","90","","2081.8","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-1<i>H</i>-pyrazole-3,4-dicarboxylic acid","","- C11 H8 N2 O4 -","- C11 H8 N2 O4 -","- C88 H64 N16 O32 -","8","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0925","0.0449","","","0.0987","0.1215","","","","","","1.034","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242799","13.6092","0.0003","21.588","0.0007","26.5297","0.0007","90","","90","","90","","7794.3","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Ethanol-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>'){μ-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>':κ^2^<i>O</i>,<i>O</i>'}{2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}discandium","","- C42 H34 N6 O11 Sc2 -","- C42 H34 N6 O11 Sc2 -","- C336 H272 N48 O88 Sc16 -","8","1","ZL2746","Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","An unsymmetrical dinuclear scandium complex comprising salophen ligands [H~2~salophen = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,2-phenylenediamine]","Acta Crystallographica Section E","2019","75","2","175","178","10.1107/S2056989019000094","","","0.71073","MoKα","","0.071","0.0451","","","0.09","0.0984","","","","","","1.036","","","","has coordinates,has Fobs","213098","2020-10-21","18:00:00",""
"2242865","7.5106","0.0011","9.314","0.0013","17.343","0.003","90","","90","","90","","1213.2","0.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Oxo-1,3-thiazolidin-4-iminium chloride","","- C3 H5 Cl N2 O S -","- C3 H5 Cl N2 O S -","- C24 H40 Cl8 N16 O8 S8 -","8","1","JJ2207","Muthukumar, Manickam; Karthikeyan, Ammasai; Poovarasan, Madehswaran; Ruckmani, Vadivel; Rajaram, Dhanakotti; Jegan Jeniferc, Simson; Abdul Razak, Ibrahim","Redetermination of the crystal structure of 2-oxo-1,3-thiazolidin-4-iminium chloride","Acta Crystallographica Section E","2019","75","4","443","446","10.1107/S2056989019003189","","","0.71073","MoKα","","0.0328","0.027","","","0.0725","0.0768","","","","","","1.053","","","","has coordinates,has Fobs","214085","2020-10-21","18:00:00",""
"2242869","14.18206","0.0001","9.78934","0.00011","9.37624","0.0001","90","","90","","90","","1301.73","0.02","298","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Strontium perchlorate anhydrate","Strontium perchlorate anhydrate","","- Cl2 O8 Sr -","- Cl2 O8 Sr -","- Cl16 O64 Sr8 -","8","1","WM5484","Hyoung, Jooeun; Lee, Hyeon Woo; Kim, So Jin; Shin, Hong Rim; Hong, Seung-Tae","Crystal structure of strontium perchlorate anhydrate, Sr(ClO~4~)~2~, from laboratory powder X-ray diffraction data","Acta Crystallographica Section E","2019","75","4","447","450","10.1107/S2056989019003335","powder diffraction","x-ray","1.5405","Cukα~1~","","","","","","","","","","1.31","","","","","","","has coordinates","214146","2020-10-21","18:00:00",""
"2242877","11.2814","0.0006","12.6299","0.0006","22.0008","0.0015","90","","90","","90","","3134.7","0.3","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","7-Methoxy-5-methyl-2-(pyridin-4-yl)-11,12-dihydro-5<i>H</i>-5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C144 H136 N40 O16 -","8","1","","Gumus, Mustafa Kemal; Kansiz, Sevgi; Yuksektepe Ataol, Cigdem; Dege, Necmi; Fritsky, Igor O.","Crystal structure and Hirshfeld surface analysis of two 5,11-methanobenzo[<i>g</i>][1,2,4]triazolo[1,5-<i>c</i>][1,3,5]oxadiazocine derivatives","Acta Crystallographica Section E","2019","75","4","492","498","10.1107/S2056989019003700","","","0.71073","MoKα","","0.1412","0.0385","","","0.0559","0.0725","","","","","","0.798","","","","has coordinates,has Fobs","214377","2020-10-21","18:00:00",""
"2242902","20.396","0.003","16.066","0.003","21.738","0.003","90","","90","","90","","7123","2","123","1","123","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate","","- C33 H40 N4 Ni3 O7 S3 -","- C33 H40 N4 Ni3 O7 S3 -","- C264 H320 N32 Ni24 O56 S24 -","8","1","EX2019","Rusanova, Julia A.; Kokozay, Vladimir N.; Pokas, Olena V.","Tris(μ~2~-2-methoxy-6-{[(2-sulfidoethyl)imino]methyl}phenolato)trinickel(II) dimethylformamide monosolvate: crystal structure, spectroscopic characterization and antibacterial activity","Acta Crystallographica Section E","2019","75","5","615","618","10.1107/S2056989019004730","","","0.71073","MoKα","","0.084","0.0424","","","0.0956","0.1132","","","","","","0.996","","","","has coordinates,has Fobs","214627","2020-10-21","18:00:00",""
"2242903","10.2301","0.0002","15.2456","0.0003","21.5426","0.0005","90","","90","","90","","3359.87","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II))","","- C36 H40 N4 Ni2 O8 -","- C36 H40 N4 Ni2 O8 -","- C144 H160 N16 Ni8 O32 -","4","0.5","LH5898","Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Skelton, Brian W.","Crystal structure of bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II)) involving different coordination modes of the same Schiff base ligand","Acta Crystallographica Section E","2019","75","5","619","622","10.1107/S2056989019004766","","x-ray","0.71073","MoKα","","0.0574","0.0407","","","0.0793","0.0875","","","","","","1.026","","","","has coordinates,has Fobs","214628","2020-10-21","18:00:00",""
"2242908","11.5504","0.0007","13.8047","0.0007","22.3899","0.0012","90","","90","","90","","3570.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(2-Hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","WM5490","Faizi, Md. Serajul Haque; Kamaal, Saima; Ali, Arif; Ahmad, Musheer; Golenya, Irina A.","Crystal structure of 4-(2-hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate","Acta Crystallographica Section E","2019","75","5","646","649","10.1107/S2056989019005103","","","0.71073","MoKα","","0.0706","0.044","","","0.0947","0.1131","","","","","","1.05","","","","has coordinates,has Fobs","214702","2020-10-21","18:00:00",""
"2242947","9.5115","0.0007","18.7385","0.0019","10.0216","0.0008","90","","90","","90","","1786.2","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-(2-Methoxyphenyl)acetamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","1","MW2145","Yaman, Mavise; Dege, Necmi; Ayoob, Mzgin M.; Hussein, Awaz J.; Samad, Mohammed K.; Fritsky, Igor O.","Hirshfeld surface analysis and crystal structure of <i>N</i>-(2-methoxyphenyl)acetamide","Acta Crystallographica Section E","2019","75","6","830","833","10.1107/S2056989019006972","","","0.71073","MoKα","","0.0807","0.0496","","","0.1306","0.1476","","","","","","1.048","","","","has coordinates,has Fobs","215395","2020-10-21","18:00:00",""
"2242950","15.582","0.0005","20.0517","0.0007","23.3082","0.0008","90","","90","","90","","7282.5","0.4","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>N</i>,<i>N</i>'-Ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazine-1-ylidene]pentane-2,4-dione (1/1)","","- C35 H35 Cu N11 O10 -","- C35 H35 Cu N11 O10 -","- C280 H280 Cu8 N88 O80 -","8","1","YK2120","Marten, Jan; Seichter, Wilhelm; Weber, Edwin","Crystal structure of (<i>N</i>,<i>N</i>'-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)‒3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1)","Acta Crystallographica Section E","2019","75","6","834","837","10.1107/S2056989019005838","","","0.71073","MoKα","","0.0875","0.0466","","","0.1116","0.1298","","","","","","0.955","","","","has coordinates,has Fobs","215398","2020-10-21","18:00:00",""
"2242970","11.0808","0.0005","9.0251","0.0005","22.8157","0.001","90","","90","","90","","2281.69","0.19","294","0.2","294","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(4-Hydroxyphenyl)-3-(thiophen-3-yl)prop-1-en-3-one","","- C13 H10 O2 S -","- C13 H10 O2 S -","- C104 H80 O16 S8 -","8","1","LH5905","Vu Quoc, Trung; Tran Thi Thuy, Duong; Dang Thanh, Thuan; Phung Ngoc, Thanh; Nguyen Thien, Vuong; Nguyen Thuy, Chinh; Van Meervelt, Luc","Some chalcones derived from thiophene-3-carbaldehyde: synthesis and crystal structures","Acta Crystallographica Section E","2019","75","7","957","963","10.1107/S2056989019007503","","x-ray","0.71073","MoKα","","0.0632","0.0487","","","0.1236","0.1338","","","","","","1.047","","","","has coordinates,has Fobs","215712","2020-10-21","18:00:00",""
"2242980","8.9401","0.0001","15.0535","0.0002","15.7314","0.0003","90","","90","","90","","2117.13","0.05","173","2","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diethyl [({2-[2-(diethoxyphosphinoyl)ethanamido]ethyl}carbamoyl)methyl]phosphonate","","- C14 H30 N2 O8 P2 -","- C14 H30 N2 O8 P2 -","- C56 H120 N8 O32 P8 -","4","0.5","PK2617","VanderWeide, Andrew I.; Staples, Richard J.; Biros, Shannon M.","Crystal structures of two bis-carbamoylmethylphosphine oxide (CMPO) compounds","Acta Crystallographica Section E","2019","75","7","991","996","10.1107/S205698901900820X","","","1.54178","CuKα","","0.0391","0.0349","","","0.0901","0.0931","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","216005","2020-10-21","18:00:00",""
"2242987","16.9915","0.0006","9.3183","0.0003","22.0129","0.0007","90","","90","","90","","3485.3","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2,4-Triphenylcyclopentane-1,2-diol","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol","","- C23 H22 O2 -","- C23 H22 O2 -","- C184 H176 O16 -","8","1","","Komarov, Pavel D.; Minyaev, Mikhail E.; Churakov, Andrei V.; Roitershtein, Dmitrii M.; Nifant'ev, Ilya E.","(1<i>R</i>,2<i>S</i>,4<i>r</i>)-1,2,4-Triphenylcyclopentane-1,2-diol and (1<i>R</i>,2<i>S</i>,4<i>r</i>)-4-(2-methoxyphenyl)-1,2-diphenylcyclopentane-1,2-diol: application as initiators for ring-opening polymerization of ε-caprolactone","Acta Crystallographica Section E","2019","75","7","1035","1040","10.1107/S2056989019008673","","","0.71073","MoKα","","0.0636","0.0546","","","0.1307","0.1363","","","","","","1.11","","","","has coordinates,has Fobs","216494","2020-10-21","18:00:00",""
"2242999","13.082","0.0008","8.0287","0.0004","24.0442","0.0012","90","","90","","90","","2525.4","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[1-(4-Hydroxyphenyl)benzylidene]-2-(thiophen-3-yl)acetohydrazide","","- C13 H12 N2 O2 S -","- C13 H12 N2 O2 S -","- C104 H96 N16 O16 S8 -","8","1","RZ5260","Vu Quoc, Trung; Nguyen Ngoc, Linh; Tran Thi Thuy, Duong; Vu Quoc, Manh; Vuong Nguyen, Thien; Oanh Doan Thi, Yen; Van Meervelt, Luc","Crystal structure of two <i>N</i>'-(1-phenylbenzylidene)-2-(thiophen-3-yl)acetohydrazides","Acta Crystallographica Section E","2019","75","8","1090","1095","10.1107/S2056989019008892","","x-ray","0.71073","MoKα","","0.0731","0.0456","","","0.0944","0.1087","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","216706","2020-10-21","18:00:00",""
"2243044","13.032","0.0011","13.247","0.0013","19.258","0.002","90","","90","","90","","3324.6","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Chlorobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Cl N2 O2 -","- C18 H19 Cl N2 O2 -","- C144 H152 Cl8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0812","0.0477","","","0.1108","0.127","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","217325","2020-10-21","18:00:00",""
"2243045","12.9119","0.0014","13.3664","0.0016","19.5019","0.0019","90","","90","","90","","3365.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Bromoobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C144 H152 Br8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0651","0.045","","","0.1187","0.1308","","","","","","1.02","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243046","12.7671","0.0013","13.5429","0.0012","20.2542","0.0016","90","","90","","90","","3502","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(2-Iodobenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H19 I N2 O2 -","- C18 H19 I N2 O2 -","- C144 H152 I8 N16 O16 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0807","0.0676","","","0.1409","0.1458","","","","","","1.176","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243047","9.7265","0.0006","12.9084","0.0009","24.861","0.001","90","","90","","90","","3121.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(2-Hydroxybenzoyl)-4-(4-methoxyphenyl)piperazine","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C144 H160 N16 O24 -","8","1","ZL2757","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Sagar, Belakavadi K.; Foro, Sabine; Glidewell, Christopher","Six 1-aroyl-4-(4-methoxyphenyl)piperazines: similar molecular structures but different patterns of supramolecular assembly","Acta Crystallographica Section E","2019","75","8","1253","1260","10.1107/S2056989019010491","","","0.71073","MoKα","","0.0638","0.0406","","","0.0903","0.0997","","","","","","1.041","","","","has coordinates,has Fobs","217325","2020-10-21","18:00:00",""
"2243102","9.2817","0.0007","11.2905","0.0007","30.309","0.002","90","","90","","90","","3176.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)piperazin-1-ium pyridine-3-carboxylate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C136 H168 N24 O24 -","8","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.074","0.0484","","","0.1054","0.1185","","","","","","1.035","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243127","12.1452","0.0005","8.1784","0.0003","31.2738","0.0012","90","","90","","90","","3106.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[3-(4-Hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-2-methoxyphenol monohydrate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C128 H144 N16 O32 -","8","1","SJ5579","Duong Khanh, Linh; Hanh Trinh Thi, My; Quynh Bui Thi, Thuy; Vu Quoc, Trung; Nguyen Thien, Vuong; Van Meervelt, Luc","Synthesis, crystal structure and Hirshfeld surface analysis of 4-[3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]-2-methoxyphenol monohydrate","Acta Crystallographica Section E","2019","75","11","1590","1594","10.1107/S2056989019013379","","x-ray","0.71073","MoKα","","0.075","0.0502","","","0.1023","0.1154","","","","","","1.029","","","","has coordinates,has Fobs","219179","2020-10-21","18:00:00",""
"2243130","14.1711","0.0004","6.0546","0.0002","27.7102","0.0008","90","","90","","90","","2377.54","0.12","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine","","- C13 H8 Br2 N2 -","- C13 H8 Br2 N2 -","- C104 H64 Br16 N16 -","8","1","WM5525","Khamees, Hussien Ahmed; Chaluvaiah, Kumara; El-khatatneh, Nasseem Ahmed; Swamynayaka, Ananda; Chong, Kwong Huey; Dasappa, Jagadeesh Prasad; Madegowda, Mahendra","Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2019","75","11","1620","1626","10.1107/S2056989019013410","","","0.71073","MoKα","","0.1269","0.0473","","","0.0939","0.1183","","","","","","0.996","","","","has coordinates,has Fobs","219182","2020-10-21","18:00:00",""
"2243200","9.4973","0.0013","7.9733","0.0011","26.682","0.004","90","","90","","90","","2020.5","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetyl-8-methoxy-2<i>H</i>-chromen-2-one","","- C12 H10 O4 -","- C12 H10 O4 -","- C96 H80 O32 -","8","1","DX2020","Gonzalez-Carrillo, Gabino; Muñiz-Valencia, Roberto; García-Báez, Efren V.; Martínez-Martínez, Francisco J.","Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2019","75","12","1866","1870","10.1107/S2056989019015159","","","0.71073","MoKα","","0.0573","0.0411","","","0.1105","0.1159","","","","","","1.101","","","","has coordinates,has Fobs","227943","2020-10-21","18:00:00",""
"2243233","12.4962","0.0005","9.9237","0.0004","29.5925","0.0015","90","","90","","90","","3669.7","0.3","293.2","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","","- C15 H22 N4 O5 S -","- C15 H22 N4 O5 S -","- C120 H176 N32 O40 S8 -","8","1","","Ivachtchenko, Alexandre V.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Mitkin, Oleg D.; Ivanov, Vladimir V.; Langer, Thierry","Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2<i>H</i>-1,2,6-thiadiazine-4-carboxylate","Acta Crystallographica Section E","2020","76","1","12","17","10.1107/S2056989019015986","","x-ray","0.71073","MoKα","","0.0652","0.0496","","","0.1175","0.1268","","","","","","1.06","","","","has coordinates,has Fobs","246417","2020-10-21","18:00:00",""
"2243241","14.0717","0.0008","6.4811","0.0004","26.767","0.002","90","","90","","90","","2441.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-{[(3-Chlorophenyl)imino]methyl}-6-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","1","MW2154","Saraçoğlu, Hanife; Doğan, Onur Erman; Ağar, Tuğgan; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure, DFT and MEP study of (<i>E</i>)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","2","141","144","10.1107/S2056989019017353","","","0.71073","MoKα","","0.0493","0.0393","","","0.1114","0.1167","","","","","","1.047","","","","has coordinates,has Fobs","246736","2020-10-21","18:00:00",""
"2243256","12.6157","0.0003","16.9629","0.0004","22.2759","0.0006","90","","90","","90","","4767","0.2","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Tris(2-oxopropyl)selanium 1-ammonioundecafluorododecaborate","","- C9 H18 B12 F11 N O3 Se -","- C9 H18 B12 F11 N O3 Se -","- C72 H144 B96 F88 N8 O24 Se8 -","8","1","PK2622","Jenne, Carsten; Nierstenhöfer, Marc C.","[Se(CH~2~C(O)CH~3~)~3~][B~12~F~11~NH~3~]: The first selenium cation with three β-ketone substituents","Acta Crystallographica Section E","2020","76","2","221","224","10.1107/S2056989020000481","","x-ray","0.71073","MoKα","","0.0451","0.0315","","","0.0805","0.0868","","","","","","1.03","","","","has coordinates,has Fobs","247003","2020-10-21","18:00:00",""
"2243302","7.7418","0.0008","13.856","0.003","36.197","0.005","90","","90","","90","","3882.9","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[Bis(benzylsulfanyl)methyl]-6-methoxyphenol","","- C22 H22 O2 S2 -","- C22 H22 O2 S2 -","- C176 H176 O16 S16 -","8","1","VM2228","Raghuvanshi, Abhinav; Knauer, Lena; Viau, Lydie; Knorr, Michael; Strohmann, Carsten","Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol","Acta Crystallographica Section E","2020","76","4","484","487","10.1107/S2056989020002091","","x-ray","0.71073","MoKα","","0.0403","0.0338","","","0.076","0.0792","","","","","","1.088","","","","has coordinates","248728","2020-10-21","18:00:00",""
"2243334","9.6659","0.0007","14.0682","0.0011","14.4869","0.0013","90","","90","","90","","1970","0.3","296","2","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C72 H80 Cl8 N8 O8 S8 -","8","1","ZQ2250","Mongkholkeaw, Sitthichok; Songsasen, Apisit; Duangthongyou, Tanwawan; Chainok, Kittipong; Suramitr, Songwut; Wattanathana, Worawat; Wannalerse, Boontana","Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-<i>N</i>-[4-(methylsulfanyl)phenyl]acetamide","Acta Crystallographica Section E","2020","76","4","594","598","10.1107/S2056989020002960","","","0.71073","MoKα","","0.0764","0.047","","","0.1112","0.1274","","","","","","1.022","","","","has coordinates,has Fobs","249910","2020-10-21","18:00:00",""
"2243338","12.7245","0.0007","9.5887","0.0006","23.7276","0.0014","90","","90","","90","","2895","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2,3-Dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C144 H128 N16 O16 -","8","1","LH5952","Daouda, Ballo; Tuo, Nanou Tiéba; Hökelek, Tuncer; Niameke Jean-Baptiste, Kangah; Charles Guillaume, Kodjo; Claude, Kablan Ahmont Landry; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-(2,3-dihydro-1<i>H</i>-perimidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2020","76","5","605","610","10.1107/S2056989020004284","","x-ray","0.71073","MoKα","","0.0631","0.0449","","","0.1105","0.1182","","","","","","1.039","","","","has coordinates,has Fobs","250122","2020-10-21","18:00:00",""
"2243355","11.8747","0.001","7.2485","0.0006","30.392","0.002","90","","90","","90","","2616","0.4","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(pyrrolidin-1-yl)penta-2,4-dien-1-one","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","HB7897","Ezawa, Toshinari; Inoue, Yutaka; Murata, Isamu; Suzuki, Mitsuaki; Takao, Koichi; Sugita, Yoshiaki; Kanamoto, Ikuo","Syntheses and crystal structures of two piperine derivatives","Acta Crystallographica Section E","2020","76","5","646","650","10.1107/S2056989020004648","","","0.71073","MoKα","","0.109","0.0502","","","0.1088","0.1433","","","","","","1.046","","","","has coordinates,has Fobs","250663","2020-10-21","18:00:00",""
"2243373","13.2518","0.0003","12.1773","0.0003","25.8419","0.0006","90","","90","","90","","4170.14","0.17","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethane-1,2-diaminium 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate","","- C19 H20 F6 N2 O5 -","- C19 H20 F6 N2 O5 -","- C152 H160 F48 N16 O40 -","8","1","LH5959","Sugiyama, Haruki","Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals","Acta Crystallographica Section E","2020","76","5","742","746","10.1107/S2056989020005575","","x-ray","1.54184","CuKα","","0.0351","0.0315","","","0.0796","0.0819","","","","","","1.043","","","","has coordinates,has Fobs","251177","2020-10-21","18:00:00",""
"2243400","12.9844","0.0002","11.9583","0.0001","19.3729","0.0002","90","","90","","90","","3008.06","0.06","100","2","100.15","","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-Cyclopropyl-1,3-diphenylfulvene","5-(Cyclopropylmethylidene)-1,3-diphenylcyclopenta-1,3-diene","","- C21 H18 -","- C21 H18 -","- C168 H144 -","8","1","YK2129","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0406","0.0356","","","0.0911","0.094","","","","","","1.081","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243443","10.26799","0.00006","18.26557","0.0001","21.67365","0.00012","90","","90","","90","","4064.91","0.04","293.15","","293.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3,5-dinitrobenzoato)(ethane-1,2-diamine)zinc(II)","","- C16 H14 N6 O12 Zn -","- C16 H14 N6 O12 Zn -","- C128 H112 N48 O96 Zn8 -","8","1","YK2132","Ibragimov, Avazbek; Ashurov, Jamshid; Dusmatov, Aziz; Ibragimov, Aziz","Crystal structure and Hirshfeld surface analysis of the orthorhombic polymorph of a Zn^II^ complex with 3,5-dinitrobenzoic acid and ethylenediamine","Acta Crystallographica Section E","2020","76","7","1113","1116","10.1107/S2056989020007938","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0906","0.0912","","","","","","1.093","","","","has coordinates,has Fobs","253290","2020-10-21","18:00:00",""
"2243446","12.7875","0.0009","11.3732","0.0012","14.3637","0.0012","90","","90","","90","","2089","0.3","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,8-Dimethoxy-3-methyl-1<i>H</i>-isochromem-1-one","","- C12 H12 O4 -","- C12 H12 O4 -","- C96 H96 O32 -","8","1","","Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen","Crystal structures and Hirshfeld surface analyses of 6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one and 5-bromo-6,8-dimethoxy-3-methyl-1<i>H</i>-isochromen-1-one chloroform monosolvate","Acta Crystallographica Section E","2020","76","7","1107","1112","10.1107/S2056989020007975","","","0.71073","MoKα","","0.0835","0.0521","","","0.1055","0.1157","","","","","","1.054","","","","has coordinates,has Fobs","253293","2020-10-21","18:00:00",""
"2243458","9.286","0.001","11.4809","0.0008","12.6469","0.001","90","","90","","90","","1348.3","0.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one","","- C6 H8 O2 S -","- C6 H8 O2 S -","- C48 H64 O16 S8 -","8","1","LH5954","Nashawi, Asma; Lawson, Christopher P.; Abdel-Sattar, M. Omar; ter Horst, Joop H.; Coxon, Geoffrey D.; Kennedy, Alan R.","Synthesis and crystal structures of 3-hydroxy-2,4-dimethyl-2<i>H</i>-thiophen-5-one and 3-hydroxy-4-methyl-2<i>H</i>-thiophen-5-one","Acta Crystallographica Section E","2020","76","7","1158","1162","10.1107/S2056989020008269","","","1.54184","CuKα","","0.0621","0.0531","","","0.1371","0.1482","","","","","","1.071","","","","has coordinates,has Fobs","253605","2020-10-21","18:00:00",""
"2243461","18.6879","0.0016","9.4736","0.0008","24.283","0.002","90","","90","","90","","4299.1","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","- C25 H24 F N O5 -","- C25 H24 F N O5 -","- C200 H192 F8 N8 O40 -","8","1","ZL2789","Twamley, Brendan; O'Boyle, Niamh M.; Meegan, Mary J.","Azetidin-2-ones: structures of antimitotic compounds based on the 1-(3,4,5-trimethoxyphenyl)azetidin-2-one core","Acta Crystallographica Section E","2020","76","8","1187","1194","10.1107/S2056989020008555","","x-ray","0.71073","MoKα","","0.1145","0.0535","","","0.1028","0.1229","","","","","","1.007","","","","has coordinates,has Fobs","253756","2020-10-21","18:00:00",""
"2243473","7.8139","0.0003","27.047","0.001","11.7683","0.0005","90","","90","","90","","2487.14","0.17","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxy-5-methylbenzylidene)amino]benzonitrile","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","ZL2787","Faizi, Md. Serajul Haque; Cinar, Emine Berrin; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[(2-hydroxy-5-methylbenzylidene)amino]benzonitrile","Acta Crystallographica Section E","2020","76","8","1195","1200","10.1107/S2056989020008907","","","0.71073","MoKα","","0.064","0.0377","","","0.0933","0.103","","","","","","1.036","","","","has coordinates,has Fobs","253760","2020-10-21","18:00:00",""
"2243533","18.0904","0.0007","7.8971","0.0003","19.8043","0.0008","90","","90","","90","","2829.28","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone","","- C13 H12 Cl F3 N2 O3 -","- C13 H12 Cl F3 N2 O3 -","- C104 H96 Cl8 F24 N16 O24 -","8","1","VM2238","Eckhardt, Tamira; Goddard, Richard; Rudolph, Ines; Richter, Adrian; Lehmann, Christoph; Imming, Peter; Seidel, Rüdiger W.","[2-Chloro-3-nitro-5-(trifluoromethyl)phenyl](piperidin-1-yl)methanone: structural characterization of a side product in benzothiazinone synthesis","Acta Crystallographica Section E","2020","76","9","1442","1446","10.1107/S2056989020010658","","","1.54178","CuKα","","0.0432","0.0425","","","0.1141","0.1147","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","255255","2020-10-21","18:00:00",""
"2243570","7.3925","0.0003","15.4082","0.0006","23.575","0.0009","90","","90","","90","","2685.31","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","1","ZL2794","Cinar, Emine Berrin; Faizi, Md. Serajul Haque; Yagci, Nermin Kahveci; Dogan, Onur Erman; Aydin, Alev Sema; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf","Crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-4-methyl-2-{[(2-methyl-3-nitrophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2020","76","10","1551","1556","10.1107/S2056989020011652","","","0.71073","MoKα","","0.0781","0.0427","","","0.1114","0.1248","","","","","","1.035","","","","has coordinates,has Fobs","255918","2020-10-21","18:00:00",""
"2243600","6.6662","0.0002","19.5903","0.0007","23.4286","0.0008","90","","90","","90","","3059.61","0.18","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","calcium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate]","","- C8 H24 Ca O9 -","- C8 H24 Ca O9 -","- C64 H192 Ca8 O72 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0498","0.0389","","","0.078","0.0807","","","","2.11","2.11","1.99","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243602","6.7153","0.0003","19.6061","0.001","23.3498","0.0011","90","","90","","90","","3074.3","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","calcium strontium isobutyrate pentahydrate","<i>catena</i>-Poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-\ κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","","- C8 H24 Ca0.794 O9 Sr0.206 -","- C8 H24 Ca0.7936 O9 Sr0.2064 -","- C64 H192 Ca6.3488 O72 Sr1.6512 -","8","1","WM5584","Samolová, Erika; Fábry, Jan","Crystal structures of <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')calcium] 2-methylpropanoate dihydrate], <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')strontium] 2-methylpropanoate dihydrate] and <i>catena</i>-poly[[μ-aqua-diaqua(μ~3~-2-methylpropanoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')(calcium/strontium)] 2-methylpropanoate dihydrate]","Acta Crystallographica Section E","2020","76","10","1684","1688","10.1107/S2056989020012888","","x-ray","0.71073","MoKα","","0.0373","0.0258","","","0.059","0.0615","","","","1.68","1.68","1.54","","","","has coordinates,has Fobs","256795","2020-10-21","18:00:00",""
"2243760","15.0694","0.0003","16.9659","0.0003","22.192","0.0004","90","","90","","90","","5673.74","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]","","- C14 H21.61 K4 N8 Ni2 O18.81 -","- C14 H21.61 K4 N8 Ni2 O18.805 -","- C112 H172.88 K32 N64 Ni16 O150.44 -","8","1","WM5595","Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Iskenderov, Turganbay S.; Mulloev, Nurullo U.","Crystal structure and Hirshfeld surface analysis of poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]","Acta Crystallographica Section E","2021","77","3","298","304","10.1107/S205698902100205X","","","0.71073","MoKα","","0.0404","0.0334","","","0.0722","0.0762","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","262296","2021-02-27","05:58:37",""
"2243766","27.9446","0.0004","8.4311","0.0001","35.0101","0.0005","90","","90","","90","","8248.51","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","","- C23 H21 Cl N2 O3 -","- C23 H21 Cl N2 O3 -","- C368 H336 Cl16 N32 O48 -","16","2","YZ2005","Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.","Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2021","77","4","351","355","10.1107/S2056989021002140","","x-ray","1.54184","CuKα","","0.057","0.0497","","","0.1256","0.1316","","","","","","1.041","","","","has coordinates,has Fobs","262791","2021-03-06","06:19:02",""
"2243783","9.6545","0.0006","11.2437","0.0006","22.9108","0.0014","90","","90","","90","","2487","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","1","TX2037","Idrissi, Ahlam; Chkirate, Karim; Abad, Nadeem; Djerrari, Bahia; Achour, Redouane; Essassi, El Mokhtar; Van Meervelt, Luc","Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2021","77","4","396","401","10.1107/S2056989021002723","","x-ray","0.71073","MoKα","","0.0899","0.0635","","","0.1798","0.2028","","","","","","1.052","","","","has coordinates,has Fobs","263203","2021-03-20","06:13:02",""
"2243835","9.3802","0.0013","9.4076","0.0013","37.235","0.005","90","","90","","90","","3285.8","0.8","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-2-(4-hexyloxyphenyl)-1<i>H</i>-benzimidazole","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C152 H176 N16 O8 -","8","1","","Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I.","Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles","Acta Crystallographica Section E","2021","77","6","618","622","10.1107/S2056989021004898","","x-ray","0.71073","MoKα","","0.125","0.0988","","","0.2222","0.2332","","","","","","1.168","","","","has coordinates,has Fobs","265247","2021-05-15","04:51:00",""
"2243889","10.0991","0.0018","7.7277","0.0014","45.979","0.008","90","","90","","90","","3588.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(4-Chlorophenyl)-<i>N</i>-(4-ferrocenylphenyl)methanimine","","- C23 H18 Cl Fe N -","- C23 H18 Cl Fe N -","- C184 H144 Cl8 Fe8 N8 -","8","1","ZL5016","Sghyar, Riham; Moussaoui, Oussama; Sebbar, Nada Kheira; Ait Elmachkouri, Younesse; Irrou, Ezaddine; Hökelek, Tuncer; Mague, Joel T.; Bentama, Abdesslam; El hadrami, El Mestafa","Crystal structure and Hirshfeld surface analysis study of (<i>E</i>)-1-(4-chlorophenyl)-<i>N</i>-(4-ferrocenylphenyl)methanimine","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008033","","","0.71073","MoKα","","0.0921","0.0626","","","0.1112","0.1183","","","","","","1.165","","","","has coordinates,has disorder,has Fobs","268021","2021-08-11","02:14:19",""
"2243935","7.6699","0.0004","11.608","0.0006","30.1431","0.0017","90","","90","","90","","2683.7","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-{[(2,4-Dimethylphenyl)imino]methyl}-4-methylphenol","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","YK2157","Kansiz, Sevgi; Gul, Adem; Dege, Necmi; Agar, Erbil; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010215","","","0.71073","MoKα","","0.0691","0.0419","","","0.1135","0.1247","","","","","","0.997","","","","has coordinates,has Fobs","269938","2021-10-14","02:29:09",""
"2243966","23.5167","0.0019","16.1492","0.0014","24.0414","0.0018","90","","90","","90","","9130.3","1.3","193","2","193","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","Bis{2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolato}palladium(II) bis(hexafluoridoantimonate) dichloromethane monosolvate)","","- C33 H44 Cl2 F12 N2 P2 Pd2 S2 Sb2 -","- C33 H44 Cl2 F12 N2 P2 Pd2 S2 Sb2 -","- C264 H352 Cl16 F96 N16 P16 Pd16 S16 Sb16 -","8","1","ZQ2270","Clerc, Arnaud; Saffon-Merceron, Nathalie; Monot, Julien; Martin Vaca, Blanca; Bourissou, Didier","Crystal structure of a dicationic Pd^II^ dimer containing a 2-[(diisopropylphosphanyl)methyl]quinoline-8-thiolate pincer ligand","Acta Crystallographica Section E","2022","78","1","18","22","10.1107/S2056989021012561","","","0.71073","MoKα","","0.0959","0.0458","","","0.0928","0.1132","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","271671","2022-01-01","04:53:22",""
"2243967","7.3514","0.0004","11.5539","0.0007","41.397","0.003","90","","90","","90","","3516.2","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-((<i>E</i>)-2-{4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one","","- C20 H17 Cl N2 O3 -","- C20 H17 Cl N2 O3 -","- C160 H136 Cl8 N16 O24 -","8","1","YK2160","Daoui, Said; Muwafaq, Israa; Çınar, Emine Berrin; Abudunia, Abdulmalik; Dege, Necmi; Benchat, Noureddine; Karrouchi, Khalid","Crystal structure and Hirshfeld surface analysis of 6-((<i>E</i>)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2022","78","1","8","11","10.1107/S205698902101238X","","","0.71073","MoKα","","0.1208","0.0602","","","0.1066","0.1276","","","","","","0.993","","","","has coordinates,has Fobs","271672","2022-01-01","04:54:41",""
"2243968","9.6963","0.0003","17.6307","0.0004","25.7044","0.0006","90","","90","","90","","4394.2","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(<i>R</i>*,<i>R</i>*)-2,2'-(1,4-Phenylene)bis(3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","(<i>R</i>,<i>R</i>)/(<i>S</i>,<i>S</i>)-2,2'-(1,4-Phenylene)bis(3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one)","","- C26 H24 N2 O2 S2 -","- C26 H24 N2 O2 S2 -","- C208 H192 N16 O16 S16 -","8","1","HB7986","Yennawar, Hemant P.; Medica, Joseph J.; Silverberg, Lee J.","Synthesis and crystal structure of racemic (<i>R</i>*,<i>R</i>*)-2,2'-(1,4-phenylene)bis(3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","Acta Crystallographica Section E","2021","77","12","1263","1266","10.1107/S2056989021011592","","","1.54184","CuKα","","0.043","0.0397","","","0.0995","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","271891","2022-01-06","23:01:17",""
"2244003","11.036","0.0018","10.1005","0.0016","19.291","0.003","90","","90","","90","","2150.4","0.6","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","","- C7 H16 Cl N3 O S -","- C7 H16 Cl N3 O S -","- C56 H128 Cl8 N24 O8 S8 -","8","1","HB8000","Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V.","Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000111","","","0.71073","MoKα","","0.0468","0.0302","","","0.0834","0.0874","","","","","","1.062","","","","has coordinates,has Fobs","272001","2022-01-12","02:51:55",""
"2244004","11.0924","0.0004","10.1898","0.0004","19.6434","0.0008","90","","90","","90","","2220.28","0.15","295","0.2","295","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-Amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","","- C7 H16 Cl N3 O S -","- C7 H16 Cl N3 O S -","- C56 H128 Cl8 N24 O8 S8 -","8","1","","Kayukova, Lyudmila A.; Yergaliyeva, Elmira M.; Vologzhanina, Anna V.","Redetermination of the structure of 2-amino-8-thia-1,5-diazaspiro[4,5]dec-1-en-5-ium chloride monohydrate","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000111","","","0.71073","MoKα","","0.0686","0.0476","","","0.1118","0.1239","","","","","","1.052","","","","has coordinates,has Fobs","272001","2022-01-12","02:51:59",""
"2244006","9.5828","0.0004","8.8467","0.0003","17.64","0.0008","90","","90","","90","","1495.45","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MEA-dithiazine","2-(1,3,5-Dithiazinan-5-yl)ethanol","","- C5 H11 N O S2 -","- C5 H11 N O S2 -","- C40 H88 N8 O8 S16 -","8","1","HB8010","Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias","An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000342","","","0.71073","MoKα","","0.0209","0.0184","","","0.0519","0.0528","","","","","","1.055","","","","has coordinates,has Fobs","272050","2022-01-15","02:35:16",""
"2244007","9.716","0.0011","8.9709","0.001","17.8577","0.0017","90","","90","","90","","1556.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MEA-dithiazine","2-(1,3,5-Dithiazinan-5-yl)ethanol","","- C5 H11 N O S2 -","- C5 H11 N O S2 -","- C40 H88 N8 O8 S16 -","8","1","HB8010","Schultheiss, Nate; Holtsclaw, Jeremy; Zeller, Matthias","An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000342","","","0.71073","MoKα","","0.0356","0.027","","","0.0694","0.0747","","","","","","1.022","","","","has coordinates,has Fobs","272050","2022-01-15","02:35:17",""
"2244010","11.6878","0.0004","18.0941","0.0006","26.9604","0.0008","90","","90","","90","","5701.6","0.3","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Methyl-2-(<i>p</i>-tolyl)-1-<i>H</i>-perimidine","","- C19 H16 N2 -","- C19 H16 N2 -","- C304 H256 N32 -","16","2","","Kalle, Paulina; Tatarin, Sergei V.; Kiseleva, Marina A.; Zakharov, Alexander Yu.; Smirnov, Daniil E.; Bezzubov, Stanislav I.","Syntheses and crystal structures of 2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine hemihydrate and 1-methyl-2-(<i>p</i>-tolyl)-1<i>H</i>-perimidine","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000287","","x-ray","0.71073","MoKα","","0.0982","0.0732","","","0.1475","0.1574","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","272052","2022-01-15","02:36:25",""
"2244049","10.0771","0.0003","16.0292","0.0005","17.8768","0.0006","90","","90","","90","","2887.6","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(Benzo[<i>d</i>]thiazol-2-yl)-3,3-bis(ethylsulfanyl)acrylonitrile","","- C14 H14 N2 S3 -","- C14 H14 N2 S3 -","- C112 H112 N16 S24 -","8","1","EX2055","Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Gad, Nagwa M.; Jones, Peter G.","Crystal structure of 2-(benzo[<i>d</i>]thiazol-2-yl)-3,3-bis(ethylsulfanyl)acrylonitrile","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002572","","","0.71073","MoKα","","0.0449","0.0322","","","0.0717","0.0773","","","","","","1.048","","","","has coordinates,has Fobs","273638","2022-03-11","03:14:29",""
"2244060","7.5884","0.0001","7.106","0.0001","43.2464","0.0007","90","","90","","90","","2331.98","0.06","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-(1<i>H</i>-Indol-3-yl)-2,1,3-benzothiadiazole","5-[1-(Benzenesulfonyl)-1<i>H</i>-indol-3-yl]-2,1,3-benzothiadiazole","","- C14 H9 N3 S -","- C14 H9 N3 S -","- C112 H72 N24 S8 -","8","1","","Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan","Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002948","","","1.54184","CuKα","","0.0397","0.035","","","0.094","0.0978","","","","","","1.07","","","","has coordinates,has Fobs","273915","2022-03-23","03:03:25",""
"2244061","12.0256","0.0007","7.7396","0.0005","23.8551","0.0016","90","","90","","90","","2220.3","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(1<i>H</i>-Indol-3-yl)-2,1,3-benzoxadiazole","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C112 H72 N24 O8 -","8","1","","Mirgaux, Manon; Scaillet, Tanguy; Kozlova, Arina; Tumanov, Nikolay; Frederick, Raphaël; Bodart, Laurie; Wouters, Johan","Structural study of bioisosteric derivatives of 5-(1<i>H</i>-indol-3-yl)-benzotriazole and their ability to form chalcogen bonds","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002948","","","1.54184","CuKα","","0.0829","0.0497","","","0.1151","0.1337","","","","","","1.063","","","","has coordinates,has Fobs","273915","2022-03-23","03:03:25",""
"2244062","7.3003","0.0001","18.9557","0.0003","21.9045","0.0003","90","","90","","90","","3031.2","0.08","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","PRAAQ","1-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea","","- C18 H14 N2 O3 S -","- C18 H14 N2 O3 S -","- C144 H112 N16 O24 S8 -","8","1","ZN2016","Ifeanyieze, Kenechukwu J.; Ayiya, Bikimi B.; Okpareke, Obinna C.; Groutso, Tatiana V.; Asegbeloyin, Jonnie N.","Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022003127","","x-ray","1.54184","CuKα","","0.0506","0.0479","","","0.1417","0.1436","","","","","","1.129","","","","has coordinates","274094","2022-03-30","01:49:57",""
"2244086","13.229","0.001","10.5551","0.0007","17.8346","0.0013","90","","90","","90","","2490.3","0.3","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Baeocystin","3-[2-(Methylazaniumyl)ethyl]-1<i>H</i>-indol-4-yl hydrogen phosphate","","- C11 H15 N2 O4 P -","- C11 H15 N2 O4 P -","- C88 H120 N16 O32 P8 -","8","1","HB8018","Naeem, Marilyn; Sherwood, Alexander M.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystal structure of baeocystin","Acta Crystallographica Section E","2022","78","6","","","10.1107/S2056989022004467","","","0.71073","MoKα","","0.0483","0.0371","","","0.0888","0.0964","","","","","","1.071","","","","has coordinates,has Fobs","275186","2022-05-07","01:45:32",""
"2244104","11.0812","0.0002","7.63258","0.00017","23.7986","0.0005","90","","90","","90","","2012.84","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate","","- C14 H26 Ni O14 -","- C14 H26 Ni O14 -","- C56 H104 Ni4 O56 -","4","0.5","YZ2020","Ruzmetov, Abror; Ibragimov, Aziz; Ashurov, Jamshid; Boltaeva, Zebo; Ibragimov, Bakhtiyar; Usmanov, Sultan","Synthesis, crystal structure and Hirshfeld surface analysis of hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate","Acta Crystallographica Section E","2022","78","6","","","10.1107/S205698902200531X","","","1.54184","CuKα","","0.04","0.0338","","","0.0964","0.1012","","","","","","1.05","","","","has coordinates,has Fobs","275637","2022-05-25","01:56:36",""
"2244118","19.998","0.003","9.7472","0.0009","23.54","0.003","90","","90","","90","","4588.5","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-Hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C208 H240 N16 O32 -","8","1","JQ2018","Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael","Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol","Acta Crystallographica Section E","2022","78","7","","","10.1107/S2056989022006508","","","0.71073","MoKα","","0.1354","0.0601","","","0.09","0.1086","","","","","","0.954","","","","has coordinates,has disorder,has Fobs","276377","2022-06-29","01:55:26",""
"2244130","6.6579","0.0001","15.7683","0.0003","29.0301","0.0006","90","","90","","90","","3047.69","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(4-Bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene","","- C14 H8 Br3 N3 O2 -","- C14 H8 Br3 N3 O2 -","- C112 H64 Br24 N24 O16 -","8","1","YK2172","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gülnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of a new polymorph of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene","Acta Crystallographica Section E","2022","78","8","","","10.1107/S2056989022007113","","","0.71073","MoKα","","0.0337","0.0244","","","0.0596","0.064","","","","","","1.047","","","","has coordinates,has Fobs","276900","2022-07-23","04:09:23",""
"2244151","9.388","0.0009","12.226","0.0012","28.693","0.003","90","","90","","90","","3293.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate","","- C17 H14 Br N3 O4 -","- C17 H14 Br N3 O4 -","- C136 H112 Br8 N24 O32 -","8","1","YK2174","Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022008271","","","0.745","synchrotron","","0.048","0.0448","","","0.0893","0.0908","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","277423","2022-08-27","02:37:20",""
"2244201","12.0297","0.0007","14.6357","0.0007","32.763","0.002","90","","90","","90","","5768.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis-TMP naphthalimide","2-(2,2,6,6-Tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","","- C30 H42 N4 O2 -","- C30 H42 N4 O2 -","- C240 H336 N32 O16 -","8","1","MW2192","Pollock, Alicia A.; Huther, Holly A.; Birch, Cole M.; Reinheimer, Eric W.; Lewis, David E.; Gerlach, Deidra L.","Crystal structure of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010374","","","0.71073","MoKα","","0.0691","0.0488","","","0.1282","0.1415","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","278898","2022-11-01","12:24:23",""
"2244218","7.84","0.07","16","0.2","18.51","0.12","90","","90","","90","","2322","4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione","","- C14 H10 S2 -","- C14 H10 S2 -","- C112 H80 S16 -","8","1","YK2177","Brown, Loren C.; Ghiassi, Kamran B.; Fulton, Ashley C.; Thum, Matthew","Crystal structure of dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione","Acta Crystallographica Section E","2022","78","12","","","10.1107/S2056989022010532","","","0.71076","MoKα","","0.0508","0.036","","","0.081","0.0875","","","","","","1.042","","","","has coordinates,has Fobs","279232","2022-11-11","03:06:46",""
"2244235","9.8201","0.0009","9.0067","0.0007","26.995","0.002","90","","90","","90","","2387.6","0.3","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Benzyloxyindole","4-Phenoxy-1<i>H</i>-indole","","- C15 H13 N O -","- C15 H13 N O -","- C120 H104 N8 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0543","0.0453","","","0.1041","0.1102","","","","","","1.11","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2244238","8.4065","0.0005","14.3944","0.0009","19.8501","0.001","90","","90","","90","","2402","0.2","300","2","300.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Hydroxy-<i>N</i>-isopropyltryptamine","3-[2-(Propan-2-ylamino)ethyl]-1<i>H</i>-indol-4-ol","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C104 H144 N16 O8 -","8","1","HB8057","Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","280","286","10.1107/S2056989023002098","","","0.71073","MoKα","","0.0537","0.0453","","","0.1097","0.1156","","","","","","1.075","","","","has coordinates,has Fobs","283594","2023-05-06","10:48:36",""
"2300248","18.8679","0.0002","6.94772","0.00009","6.85885","0.0001","90","","90","","90","","899.12","0.02","","","","","","","","","","","","0","P b c a","-P 2ac 2ab","61","","","","?","","","4","0.5","","Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.","Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa","Journal of Applied Crystallography","2009","42","5","846","866","10.1107/S0021889809027897","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","297435","2025-01-23","15:37:50",""
"2300260","11.0232","0.00007","7.66076","0.00006","7.59127","0.00006","90","","90","","90","","641.053","0.008","4.2","","","","","","","","","","Aldrich ND3 (99 atom % D), Aldrich CD3OD (99.8 atom % D)","4","P b c a","-P 2ac 2ab","61","methanol mono-ammoniate","methanol mono-ammoniate","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2009","42","6","1054","1061","10.1107/S0021889809035705","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300261","11.21169","0.00005","7.74663","0.00004","7.68077","0.00005","90","","90","","90","","667.096","0.006","180","","","","","","","","","","Aldrich ND3 (99 atom % D), Aldrich CD3OD (99.8 atom % D)","4","P b c a","-P 2ac 2ab","61","methanol mono-ammoniate","methanol mono-ammoniate","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2009","42","6","1054","1061","10.1107/S0021889809035705","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300266","11.0386","0.0004","7.65471","0.00034","7.58467","0.00033","90","","90","","90","","640.88","0.05","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2010","43","2","328","336","10.1107/S0021889810005595","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300268","11.20962","0.00025","7.74564","0.00024","7.6781","0.00022","90","","90","","90","","666.66","0.03","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C D7 N O -","- C D7 N O -","- C8 D56 N8 O8 -","8","1","","Fortes, A. D.; Wood, I. G.; Knight, K. S.","The crystal structure of perdeuterated methanol hemiammoniate (CD~3~OD·0.5ND~3~) determined from neutron powder diffraction data at 4.2 and 180K","Journal of Applied Crystallography","2010","43","2","328","336","10.1107/S0021889810005595","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300372","15.4307","0.0009","10.2659","0.0005","16.4124","0.0009","90","","90","","90","","2599.9","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","RG5013","Rajasekar, M.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, S. P.","Synthesis, structure, growth and characterization of an organic crystal: 1,5-diphenylpenta-2,4-dien-1-one","Journal of Applied Crystallography","2012","45","5","914","920","10.1107/S0021889812030403","","","0.71073","MoKα","","0.0632","0.0403","","","0.1129","0.1295","","","","","","1.069","","","","has coordinates,has Fobs","201980","2020-10-21","18:00:00",""
"2300489","8.439","0.002","10.559","0.002","13.807","0.003","90","","90","","90","","1230.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.56086","AgKα","","0.0186","0.0136","","","0.0239","0.0248","","","","","","1.156","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300490","8.442","0.002","10.569","0.002","13.816","0.003","90","","90","","90","","1232.7","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","AJ5242","Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar","Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination","Journal of Applied Crystallography","2015","48","1","","","10.1107/S1600576714022985","","","0.71073","MoKα","","0.0172","0.015","","","0.0321","0.0326","","","","","","1.175","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300661","4.5251","0.0004","13.7555","0.001","23.9096","0.0016","90","","90","","90","","1488.3","0.2","298","","298","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Iron carbide","","- C6 Fe14 -","- C6.00009 Fe14 -","- C48.0007 Fe112 -","8","1","GJ5230","Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry","Formation of two crystal modifications of Fe7C3−x at 5.5 GPa","Journal of Applied Crystallography","2019","52","6","1378","","10.1107/S1600576719013347","","x-ray","0.71073","MoKα","","0.1256","0.0591","","","0.1778","0.2259","","","","","","1.0988","","","","has coordinates,has disorder","246054","2020-10-21","18:00:00",""
"2300662","11.9698","0.0006","4.524","0.0002","13.7658","0.0006","90","","90","","90","","745.44","0.06","298","","298","","","","","","","","","2","P b c a","-P 2ac 2ab","61","iron carbide","iron carbide","","- C6 Fe14 -","- C6 Fe14 -","- C24 Fe56 -","4","0.5","GJ5230","Gromilov, Sergey; Chepurov, Anatoly; Sonin, Valeri; Zhimulev, Egor; Sukhikh, Aleksandr; Chepurov, Aleksei; Shcheglov, Dmitry","Formation of two crystal modifications of Fe7C3−x at 5.5 GPa","Journal of Applied Crystallography","2019","52","6","1378","","10.1107/S1600576719013347","","","0.71073","MoKα","","0.0278","0.0245","","","0.0642","0.0663","","","","","","1.093","","","","has coordinates","246054","2020-10-21","18:00:00",""
"2300700","12.0252","0.0013","11.9873","0.0014","6.8715","0.0006","90","","90","","90","","990.52","0.18","293","","293","","","","100","","","","","4","P b c a","-P 2ac 2ab","61","Barium Zinc Carbodiimide","","","- C2 Ba N4 Zn -","- C2 Ba N4 Zn -","- C16 Ba8 N32 Zn8 -","8","1","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.09857","","0.99999","","0.043","","","","","","","has coordinates","285062","2023-07-06","18:22:13",""
"2300701","11.9532","0.0012","11.9452","0.0012","6.8555","0.0006","90","","90","","90","","978.85","0.16","293","","293","","","","100","","","","","4","P b c a","-P 2ac 2ab","61","Barium Zinc Carbodiimide","","","- C2 Ba N4 Zn -","- C2 Ba N4 Zn -","- C16 Ba8 N32 Zn8 -","8","1","","Houben, Andreas; Meinerzhagen, Yannick; Nachtigall, Noah; Jacobs, Philipp; Dronskowski, Richard","POWTEX visits POWGEN.","Journal of applied crystallography","2023","56","Pt 3","633","642","10.1107/S1600576723002819","powder diffraction","neutron","","","","","","","","0.01739","","0.02907","","1.711","","","","","","","has coordinates","285062","2023-07-06","18:22:14",""
"2300716","8.441","0.002","10.569","0.002","13.799","0.003","90","","90","","90","","1231","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0192","0.0165","","","0.0332","0.0337","","","","","","1.261","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300717","8.434","0.002","10.553","0.002","13.792","0.003","90","","90","","90","","1227.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- H4 Na2 O6 W -","- H4 Na2 O6 W -","- H32 Na16 O48 W8 -","8","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0228","0.02","","","0.0449","0.0456","","","","","","1.273","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300760","14.4765","0.0002","9.1539","0.0001","23.3338","0.0004","90","","90","","90","","3092.11","0.08","99.97","0.11","99.97","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","","","10.1107/S160057672500175X","","x-ray","1.39222","CuKβ","","0.0409","0.0389","","","0.0986","0.1","","","","","","1.0682","","","","has coordinates","298782","2025-04-05","02:17:32",""
"2300761","14.54072","0.00007","9.17361","0.00002","23.4031","0.00007","90","","90","","90","","3121.76","0.019","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","","","10.1107/S160057672500175X","","x-ray","0.56356","synchrotron","","0.0139","0.01","","","0.0176","0.0182","","","","","","1.0655","","","","has coordinates","298782","2025-04-05","02:17:33",""
"2300762","14.49062","0.00007","9.15691","0.00004","23.329","0.00011","90","","90","","90","","3095.51","0.02","100","0.18","100","0.18","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","","","10.1107/S160057672500175X","","x-ray","0.71073","MoKα","","0.0162","0.0112","","","0.0139","0.0142","","","","","","1.2594","","","","has coordinates","298782","2025-04-05","02:17:33",""
"2300763","14.47962","0.00007","9.15557","0.00004","23.33502","0.00011","90","","90","","90","","3093.5","0.02","100.1","0.3","100.1","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","","","10.1107/S160057672500175X","","x-ray","1.54184","CuKα","","0.0089","0.0086","","","0.0193","0.0194","","","","","","1.0969","","","","has coordinates","298782","2025-04-05","02:17:33",""
"2300764","14.47953","0.00006","9.15279","0.00005","23.32492","0.00009","90","","90","","90","","3091.21","0.02","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","","","10.1107/S160057672500175X","","x-ray","0.6198","synchrotron","","0.0112","0.011","","","0.0298","0.0299","","","","","","1.1429","","","","has coordinates","298782","2025-04-05","02:17:33",""
"2300765","14.49062","0.00007","9.15691","0.00004","23.329","0.00011","90","","90","","90","","3095.51","0.02","100","0.18","100","0.18","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 S -","- C20 H14 O3 S -","- C160 H112 O24 S8 -","8","1","","Meurer, Florian; Schimpf, Maximilian; Hischa, Birgit; Hennig, Christoph; Rehbein, Julia; Kleemiss, Florian; Bodensteiner, Michael","Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival","Journal of Applied Crystallography","2025","58","3","","","10.1107/S160057672500175X","","x-ray","0.71073","MoKα","","0.0161","0.0111","","","0.0159","0.0164","","","","","","1.1526","","","","has coordinates","298782","2025-04-05","02:17:33",""
"2310110","8.21","","8.7","","14.18","","90","","90","","90","","1012.84","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Cd (B4 O7)","","- B4 Cd O7 -","- B4 Cd O7 -","- B32 Cd8 O56 -","8","1","","Krogh-Moe, J.; Ihara, M.","The crystal structure of cadmium diborate, Cd O (B2 O3)2","Acta Crystallographica (1,1948-23,1967)","1966","20","","132","134","10.1107/S0365110X66000239","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310222","12.497","","9.21","","9.325","","90","","90","","90","","1073.28","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Ni10 Zr7 -","- Ni10 Zr7 -","- Ni40 Zr28 -","4","0.5","","Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.","Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7","Acta Crystallographica (1,1948-23,1967)","1962","15","","894","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310363","13.461","","7.783","","15.967","","90","","90","","90","","1672.81","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cd (S C (N H2)2) S O4 (H2 O)2","","- C H4 Cd N2 O6 S2 -","- C H4 Cd N2 O6 S2 -","- C8 H32 Cd8 N16 O48 S16 -","8","1","","Cavalca, L.; Domiano, P.; Gasparri, G.F.; Boldrini, P.","The Crystal Structure of Monothiourea-cadmium Sulphate Dihydrate","Acta Crystallographica (1,1948-23,1967)","1967","22","","878","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310375","8.56","","6.87","","12.84","","90","","90","","90","","755.084","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S (C N)2","","- C2 N2 S -","- C2 N2 S -","- C16 N16 S8 -","8","1","","Emerson, K.","The Crystal and Molecular Structure of Sulfur Dicyanide","Acta Crystallographica (1,1948-23,1967)","1966","21","","970","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310589","5.46","","5.541","","7.531","","90","","90","","90","","227.842","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Pd S2 -","- Pd S2 -","- Pd4 S8 -","4","0.5","","Gronvold, F.; Rost, E.","The crystal structure of Pd Se2 and Pd S2","Acta Crystallographica (1,1948-23,1967)","1957","10","","329","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310622","7.418","","11.702","","14.745","","90","","90","","90","","1279.95","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","K2 O (B2 O3)5","","- B10 K2 O16 -","- B10 K2 O16 -","- B40 K8 O64 -","4","0.5","","Krogh-Moe, J.","Least-squares refinement of the crystal structure of potassium pentaborate","Acta Crystallographica (1,1948-23,1967)","1965","18","","1088","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","151162","2020-10-21","18:00:00",""
"2310632","14.314","","6.779","","5.086","","90","","90","","90","","493.518","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na As O2","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","","Menary, J.W.","The Crystal Structure of Sodium Polymetaarsenite (Na As O2)X","Acta Crystallographica (1,1948-23,1967)","1958","11","","742","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310655","5.635","","6.285","","9.919","","90","","90","","90","","351.291","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(U O2) (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","0.5","","Roof, R.B.jr.; Cromer, D.T.; Larson, A.C.","The crystal structure of uranyl dihydroxide, U O2 (O H)2","Acta Crystallographica (1,1948-23,1967)","1964","17","","701","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311071","18.227","","8.819","","5.179","","90","","90","","90","","832.493","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg16 O48 Si16 -","16","2","","Sasaki, S.; Fujino, K.; Takeuchi, Y.; Sadanaga, R.","On the estimation of atomic charges by the X-ray method for some oxides and silicates","Acta Crystallographica A (24,1968-38,1982)","1980","36","","904","915","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311074","8.22","","8.11","","9.31","","90","","90","","90","","620.644","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(H3 N) (B F3)","","- B F3 H3 N -","- B F3 H3 N -","- B8 F24 H24 N8 -","8","1","","Hoard, J.L.; Geller, S.; Cashin, W.M.","Structures of molecular addition compounds. III.ammonia-boron trifluoride, H3 N B F3","Acta Crystallographica (1,1948-23,1967)","1951","4","","396","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311094","7.52","0.0001","9.3837","0.0001","30.712","0.0005","90","","90","","90","","2167.21","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-5-Phenyl-pent-1-enyl-boronic acid","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C88 H120 B8 O16 -","8","1","","Fournier, Bertrand; Guillot, Beno\?ît; Lecomte, Claude; Escudero-Adán, Eduardo C.; Jelsch, Christian","A method to estimate statistical errors of properties derived from charge-density modelling","Acta Crystallographica Section A","2018","74","3","170","183","10.1107/S2053273318004308","","","0.71073","MoKα","","0.0351","0.0257","","","0.0375","0.0393","","","","","","0.952","","","","has coordinates,has Fobs","207651","2020-10-21","18:00:00",""
"2311170","9.4952","0.0009","7.4845","0.0007","34.692","0.003","90","","90","","90","","2465.5","0.4","150","","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Phenyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C104 H120 N24 S8 -","8","1","TK5237","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.5]dec-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1259","","10.1107/S1600536813019120","","","0.71073","MoKα","","0.0458","0.0415","","","0.1016","0.1044","","","","","","1.099","","","","has coordinates","245642","2020-10-21","18:00:00",""
"2311178","19.4157","0.0005","7.6564","0.0002","27.404","0.0007","90","","90","","90","","4073.72","0.18","273","","273","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[4-(4-Methoxyphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl][4-(trifluoromethyl)phenyl]methanone","","- C23 H15 F3 N2 O2 S -","- C23 H15 F3 N2 O2 S -","- C184 H120 F24 N16 O16 S8 -","8","1","SU2625","Pampa, K. J.; Abdoh, M. M. M.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","[4-(4-Meth-oxy-phen-yl)-2-(pyridin-3-yl)-1,3-thia-zol-5-yl][4-(tri-fluoro-meth-yl)phen-yl]methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1434","","10.1107/S1600536813021259","","","1.54178","CuKα","","0.0568","0.0551","","","0.1597","0.1621","","","","","","1.051","","","","has coordinates","245650","2020-10-21","18:00:00",""
"2311191","7.7043","0.0004","16.377","0.0008","17.7482","0.0009","90","","90","","90","","2239.3","0.2","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Hydroxy-3-methylphenyl)(phenyl)methanone","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","IS5303","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Shaukath, A. K.; Sridhar, M. A.","(4-Hy-droxy-3-methyl-phen-yl)(phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1550","","10.1107/S160053681302521X","","","1.54178","CuKα","","0.0538","0.0455","","","0.1227","0.1289","","","","","","1.025","","","","has coordinates","245663","2020-10-21","18:00:00",""
"2311193","14.2855","0.0015","13.7461","0.0012","18.4","0.002","90","","90","","90","","3613.2","0.6","123","","123.3","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(2-Hydroxy-6-oxocyclohex-1-enyl)-9,10-dihydro-8<i>H</i>-benzo[<i>a</i>]xanthen-11(12<i>H</i>)-one","","- C23 H20 O4 -","- C23 H20 O4 -","- C184 H160 O32 -","8","1","SJ5351","Akkurt, Mehmet; Mohamed, Shaaban K.; Kennedy, Alan R.; Abdelhamid, Antar A.; Miller, Gary J.; Albayati, Mustafa R.","12-(2-Hy-droxy-6-oxo-cyclo-hex-1-en-yl)-9,10-di-hydro-8H-benzo[a]xanthen-11(12H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1558","9","10.1107/S1600536813025324","","","0.7107","MoKα","","0.0752","0.0511","","","0.102","0.1142","","","","","","1.037","","","","has coordinates,has disorder","245665","2020-10-21","18:00:00",""
"2311195","16.0231","0.0004","7.4216","0.0002","19.6843","0.0005","90","","90","","90","","2340.8","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Chloro-2-(2-chlorobenzoyl)phenol","","- C13 H8 Cl2 O2 -","- C13 H8 Cl2 O2 -","- C104 H64 Cl16 O16 -","8","1","TK5253","Bushra Begum, A.; Madan Kumar, S.; Manjunath, B. C.; Khanum, Shaukath Ara; Lokanath, N. K.","4-Chloro-2-(2-chloro-benzoyl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1568","","10.1107/S1600536813025609","","","1.54178","CuKα","","0.0799","0.0371","","","0.0995","0.1045","","","","","","1.058","","","","has coordinates","245667","2020-10-21","18:00:00",""
"2311214","5.9396","0.0006","12.3808","0.0015","30.522","0.003","90","","90","","90","","2244.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4-Fluorophenyl)(2-hydroxy-5-methylphenyl)methanone","","- C14 H11 F O2 -","- C14 H11 F O2 -","- C112 H88 F8 O16 -","8","1","HB7191","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Khanum, S. A.; Sridhar, M. A.","(4-Fluoro-phen-yl)(2-hy-droxy-5-methyl-phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o286","","10.1107/S1600536814001883","","","1.54178","CuKα","","0.0541","0.0471","","","0.1288","0.1348","","","","","","1.057","","","","has coordinates","245687","2020-10-21","18:00:00",""
"2311221","11.714","0.003","8.43","0.002","33.872","0.008","90","","90","","90","","3344.8","1.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>'-[(<i>E</i>)-(Furan-2-yl)methylidene]-2-[4-(2-methylpropyl)phenyl]propanohydrazide","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C144 H176 N16 O16 -","8","1","HG5385","Akkurt, Mehmet; Mohamed, Shaaban K.; Mague, Joel T.; Albayati, Mustafa R.; Younes, Sabry H. H.","N'-[(E)-(Furan-2-yl)methyl-idene]-2-[4-(2-methyl-prop-yl)phen-yl]propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o356","","10.1107/S1600536814003936","","","0.71073","MoKα","","0.1219","0.0769","","","0.2012","0.2476","","","","","","1.012","","","","has coordinates","245694","2020-10-21","18:00:00",""
"2311245","9.2292","0.0009","9.8117","0.001","25.347","0.002","90","","90","","90","","2295.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[4-(Trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole","","- C14 H9 F3 N2 -","- C14 H9 F3 N2 -","- C112 H72 F24 N16 -","8","1","LH5706","Krishnamurthy, M. S.; Begum, Noor Shahina","2-[4-(Tri-fluoro-meth-yl)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 7","o760","","10.1107/S1600536814012963","","","0.71073","MoKα","","0.0911","0.0563","","","0.1365","0.1591","","","","","","0.898","","","","has coordinates","245718","2020-10-21","18:00:00",""
"2311283","7.754","0.002","11.346","0.003","21.187","0.006","90","","90","","90","","1864","0.9","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Acetoxy-2-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C80 H80 O32 -","8","1","LH5765","Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas","Crystal structure of 3-acet-oxy-2-methyl-benzoic acid.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o474","","10.1107/S2056989015010865","","","0.71073","MoKα","","0.1347","0.0626","","","0.1465","0.1843","","","","","","1.025","","","","has coordinates","245756","2020-10-21","18:00:00",""
"2311302","12.218","0.003","7.332","0.002","30.923","0.008","90","","90","","90","","2770.2","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-acetyl-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate","","- C13 H18 N2 O3 S -","- C13 H18 N2 O3 S -","- C104 H144 N16 O24 S8 -","8","1","HB7483","Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina","Crystal structure of ethyl 5-acetyl-2-{[(di-methyl-amino)-methyl-idene]amino}-4-methyl-thio-phene-3-carboxyl-ate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 10","o762","3","10.1107/S2056989015016217","","","0.71073","MoKα","","0.0917","0.0583","","","0.1381","0.1732","","","","","","1.185","","","","has coordinates","245775","2020-10-21","18:00:00",""
"2311328","8.8287","0.0003","14.2531","0.0005","33.1222","0.0011","90","","90","","90","","4168","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate","","- C23 H24 Br N O5 -","- C23 H24 Br N O5 -","- C184 H192 Br8 N8 O40 -","8","1","WM5239","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Abdelhamid, Antar A.; Tamam, Asmaa H.; Albayati, Mustafa R.","Crystal structure of ethyl 2-[9-(5-bromo-2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetate.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o989","90","10.1107/S2056989015022240","","","0.71073","MoKα","","0.096","0.0589","","","0.1333","0.1529","","","","","","1.016","","","","has coordinates","245798","2020-10-21","18:00:00",""
"2311340","9.4578","0.0002","19.291","0.0006","22.2114","0.0005","90","","90","","90","","4052.48","0.18","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(η^5^-cyclopentadienyl)(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylpropynamidinato-κ^2^<i>N</i>,<i>N</i>')ytterbium(III)","","- C22 H29 N2 Yb -","- C22 H29 N2 Yb -","- C176 H232 N16 Yb8 -","8","1","ZL2671","Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.","Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 9","1229","1233","10.1107/S2056989016012135","","","0.71073","MoKα","","0.0291","0.0184","","","0.0379","0.0399","","","","","","0.976","","","","has coordinates","245808","2020-10-21","18:00:00",""
"2311392","12.9983","0.0007","15.2709","0.001","15.5153","0.001","90","","90","","90","","3079.7","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dichlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')gold(III) hexafluoridophosphate","","- C12 H8 Au Cl2 F6 N2 P -","- C12 H8 Au Cl2 F6 N2 P -","- C96 H64 Au8 Cl16 F48 N16 P8 -","8","1","WM5398","Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; Corbi, Pedro Paulo","Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')gold(III) hexa-fluorido-phosphate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 7","1048","1051","10.1107/S2056989017008763","","","0.71073","MoKα","","0.0273","0.019","","","0.0381","0.0399","","","","","","1.007","","","","has coordinates","245848","2020-10-21","18:00:00",""
"2311473","15.7473","0.0014","7.3042","0.0005","22.7257","0.0019","90","","90","","90","","2613.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-{(1<i>E</i>)-[(4-Hydroxyphenyl)iminio]methyl}naphthalen-2-olate","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","EX2001","Devika, Bhai R.; Girija, C. R.; Shalini, Suresh; Jotani, Mukesh M.; Tiekink, Edward R. T.","Zwitterionic 1-{(1<i>E</i>)-[(4-hy-droxy-phen-yl)iminio]meth-yl}naphthalen-2-olate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1674","1678","10.1107/S205698901701458X","","","0.71073","MoKα","","0.0704","0.0407","","","0.0968","0.115","","","","","","1.043","","","","has coordinates","245910","2020-10-21","18:00:00",""
"2311498","12.3538","0.0006","18.7727","0.001","23.4056","0.0012","90","","90","","90","","5428.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(Dimethylamino)pyridine‒4-methoxyphenylborane (1/1)","","- C14 H19 B N2 O -","- C14 H19 B N2 O -","- C224 H304 B16 N32 O16 -","16","2","LH5853","Shooter, Jesse; Allen, Caleb J.; Tinsley, Colby W. K.; Zakharov, Lev N.; Abbey, Eric R.","Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1747","1750","10.1107/S2056989017015171","","","1.54178","CuKα","","0.0569","0.0467","","","0.1327","0.1443","","","","","","1.084","","","","has coordinates","245933","2020-10-21","18:00:00",""
"2311499","7.9407","0.0014","12.293","0.002","18.0684","0.0019","90","","90","","90","","1763.7","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Cadmium Pentaborate","Trisodium zinc cadmium pentaborate","","- B5 Cd0.09 Na3 O10 Zn0.91 -","- B5 Cd0.088 Na3 O10 Zn0.912 -","- B40 Cd0.704 Na24 O80 Zn7.296 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.0943","0.0374","","","0.0673","0.0723","","","","","","0.911","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311500","7.8931","0.0012","12.2555","0.0012","18.0874","0.0011","90","","90","","90","","1749.7","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Trisodium Zinc Magnesium Pentaborate","Trisodium zinc magnesium pentaborate","","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B5 Mg0.155 Na3 O10 Zn0.845 -","- B40 Mg1.24 Na24 O80 Zn6.76 -","8","1","WM5422","Chen, Xue-An; Zhang, Ya-Hua; Chang, Xin-An; Xiao, Wei-Qiang","Crystal structures of the solid solutions Na<sub>3</sub>Zn<sub>0.912</sub>Cd<sub>0.088</sub>B<sub>5</sub>O<sub>10</sub> and Na<sub>3</sub>Zn<sub>0.845</sub>Mg<sub>0.155</sub>B<sub>5</sub>O<sub>10</sub>.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1774","1778","10.1107/S2056989017015249","","","0.71073","MoKα","","0.109","0.0441","","","0.1047","0.113","","","","","","0.872","","","","has coordinates","245935","2020-10-21","18:00:00",""
"2311504","10.3615","0.0003","13.8916","0.0006","20.2121","0.0008","90","","90","","90","","2909.29","0.19","295","2","295","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Methyl-1-(3-phenoxypropyl)pyridinium bromide","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C120 H144 Br8 N8 O8 -","8","1","","Said, Musa A.; Aouad, Mohamed R.; Hughes, David L.; Almehmadi, Meshal A.; Messali, Mouslim","Synthesis and crystal structure of a new pyridinium bromide salt: 4-methyl-1-(3-phen-oxy-prop-yl)pyridinium bromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1831","1834","10.1107/S2056989017015481","","","0.71073","Mo-Kα","","0.0561","0.045","","","0.0827","0.0865","","","","","","1.199","","","","has coordinates","245939","2020-10-21","18:00:00",""
"2311538","19.5319","0.0004","26.6614","0.0004","19.8681","0.0003","90","","90","","90","","10346.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(3,5-diisopropyl-1<i>H</i>-pyrazole)[hydrotris(3,5-diisopropylpyrazolyl)borato]iodidoeuropium(II)","","- C45 H78 B Eu I N10 -","- C45 H78 B Eu I N10 -","- C360 H624 B8 Eu8 I8 N80 -","8","1","ZL2718","Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.","Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1921","1925","10.1107/S2056989017016498","","","0.71073","MoKα","","0.0455","0.0313","","","0.0592","0.0631","","","","","","1.04","","","","has coordinates,has disorder","245966","2020-10-21","18:00:00",""
"2311552","21.7698","0.0004","10.7768","0.0002","22.2272","0.0004","90","","90","","90","","5214.7","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hexakis(μ-benzoato-κ^2^<i>O</i>:<i>O</i>')bis(pyridine-3-carbonitrile-κ<i>N</i>^1^)trizinc(II)","","- C54 H38 N4 O12 Zn3 -","- C54 H38 N4 O12 Zn3 -","- C216 H152 N16 O48 Zn12 -","4","0.5","NK2240","Hökelek, Tuncer; Özbek, Elif; Sertçelik, Mustafa; Şahin Yenice, Çiğdem; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of hexa-kis-(μ-benzoato-κ<sup>2</sup><i>O</i>:<i>O</i>')bis-(pyridine-3-carbo-nitrile-κ<i>N</i><sup>1</sup>)trizinc(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1966","1970","10.1107/S2056989017016899","","","0.71073","MoKα","","0.0836","0.0605","","","0.1219","0.1357","","","","","","1.252","","","","has coordinates","245975","2020-10-21","18:00:00",""
"2311566","13.75102","0.00008","9.50887","0.00005","9.06168","0.00005","90","","90","","90","","1184.88","0.011","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Calcium perchlorate anhydrate","Calcium bis(perchlorate)","","- Ca Cl2 O8 -","- Ca Cl2 O8 -","- Ca8 Cl16 O64 -","8","1","WM5437","Lee, Dongmin; Bu, Hyeri; Kim, Dohwan; Hyoung, Jooeun; Hong, Seung-Tae","Crystal structure of calcium perchlorate anhydrate, Ca(ClO<sub>4</sub>)<sub>2</sub>, from laboratory powder X-ray diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","514","517","10.1107/S2056989018003936","powder diffraction","","1.5405","Cukα~1~","","","","","","","","","","1.9","","","","","","","has coordinates","245988","2020-10-21","18:00:00",""
"2311648","11.6515","0.0003","7.4209","0.0002","61.8325","0.0018","90","","90","","90","","5346.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","NF naphthalene-2-sulfonicate","","","- C26 H23 F N3 O10 S -","- C26 H23 F N3 O10 S -","- C208 H184 F8 N24 O80 S8 -","8","1","","Xu, Yun; Jiang, Linglei; Mei, Xuefeng","Supramolecular structures and physicochemical properties of norfloxacin salts.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 4","750","760","10.1107/S2052520614011718","","","0.71073","MoKα","","0.1241","0.0679","","","0.1431","0.1643","","","","","","1.115","","","","has coordinates,has disorder","246069","2020-10-21","18:00:00",""
"2311656","10.219","0.003","8.26","0.003","17.923","0.005","90","","90","","90","","1512.9","0.8","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dibenzyl succinate","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","0.5","","Joseph, Sumy; Sathishkumar, Ranganathan","Succinate esters: odd-even effects in melting points.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 5","839","846","10.1107/S2052520614013730","","","0.71073","MoKα","","0.0548","0.0501","","","0.128","0.1316","","","","","","1.075","","","","has coordinates","246070","2020-10-21","18:00:00",""
"2311678","10.1389","0.0007","7.5691","0.0005","27.0498","0.0015","90","","90","","90","","2075.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 Br N2 O -","- C11 H9 Br N2 O -","- C88 H72 Br8 N16 O8 -","8","1","","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","0.71073","MoKα","","0.0426","0.0323","","","0.071","0.0759","","","","","","1.066","","","","has coordinates","246080","2020-10-21","18:00:00",""
"2311690","7.0603","0.0011","9.2687","0.0012","29.062","0.004","90","","90","","90","","1901.8","0.5","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C64 H120 N8 O24 -","8","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.0368","","","","0.1066","","","","","","1.062","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311691","11.6067","0.0006","12.8312","0.0005","13.3226","0.0005","90","","90","","90","","1984.11","0.15","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C64 H120 N8 O24 -","8","1","","Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi","Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2016","72","Pt 4","650","657","10.1107/S2052520616007319","","","0.71073","MoKα","","","0.036","","","","0.0997","","","","","","1.063","","","","has coordinates","246085","2020-10-21","18:00:00",""
"2311795","6.8597","0.0005","13.9425","0.001","26.7054","0.0019","90","","90","","90","","2554.1","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2a","","","- C10 H11 Br2 Hg N O2 -","- C10 H11 Br2 Hg N O2 -","- C80 H88 Br16 Hg8 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0419","0.0289","","","0.0471","0.0511","","","","","","1.08","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311797","7.0546","0.0014","14.2685","0.0016","27.4248","0.0019","90","","90","","90","","2760.5","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3","","","- C10 H11 Hg I2 N O2 -","- C10 H11 Hg I2 N O2 -","- C80 H88 Hg8 I16 N8 O16 -","8","1","","Truong, Khai Nghi; Merkens, Carina; Englert, Ulli","3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","981","991","10.1107/S2052520617011118","","","0.71073","MoKα","","0.0555","0.0436","","","0.094","0.0988","","","","","","1.089","","","","has coordinates","246108","2020-10-21","18:00:00",""
"2311819","13.382","0.001","8.8183","0.0008","23.275","0.002","90","","90","","90","","2746.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzoyl-2-(4-hydroxybenzylidene)hydrazone methanol monosolvate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","EG3169","Ton, Quoc Cuong; Bolte, Michael; Egert, Ernst","Structural similarities among eight benzoylhydrazones.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","912","919","10.1107/S2053229614018658","","","0.71073","MoKα","","0.0597","0.032","","","0.068","0.0731","","","","","","0.803","","","","has coordinates","246126","2020-10-21","18:00:00",""
"2311837","7.5567","0.0003","11.4589","0.0005","24.9006","0.0011","90","","90","","90","","2156.18","0.16","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-(2-Chlorophenyl)-2-methylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C11 H8 Cl N3 S -","- C11 H8 Cl N3 S -","- C88 H64 Cl8 N24 S8 -","8","1","SK3560","Praveen, Aletti S.; Yathirajan, Hemmige S.; Kaur, Manpreet; Narayana, Badiadka; Hosten, Eric C.; Betz, Richard; Glidewell, Christopher","Different patterns of supramolecular assembly in constitutionally similar 6-arylimidazo[2,1-b][1,3,4]thiadiazoles.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","920","926","10.1107/S2053229614018762","","","0.71073","MoKα","","0.0364","0.0315","","","0.0814","0.0859","","","","","","1.056","","","","has coordinates","246130","2020-10-21","18:00:00",""
"2311843","15.0721","0.0004","11.3109","0.0003","19.4443","0.0004","90","","90","","90","","3314.85","0.14","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-[4-(Diethylamino)benzyl]-2,2-dimethyl-1,3-dioxane-4,6-dione","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0788","0.0483","","","0.1202","0.1348","","","","","","1.047","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311844","9.8128","0.0002","10.0235","0.0002","30.4669","0.0006","90","","90","","90","","2996.68","0.1","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,2-Dimethyl-5-(2,4,6-trimethoxybenzyl)-1,3-dioxane-4,6-dione","","- C16 H20 O7 -","- C16 H20 O7 -","- C128 H160 O56 -","8","1","DT3032","Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Zwitterionic and free forms of arylmethyl Meldrum's acids.","Acta crystallographica. Section C, Structural chemistry","2015","71","Pt 9","752","758","10.1107/S2053229615014308","","","0.71073","MoKα","","0.0689","0.0421","","","0.0942","0.1052","","","","","","0.997","","","","has coordinates","246134","2020-10-21","18:00:00",""
"2311902","12.5854","0.001","10.0901","0.0007","19.8568","0.0016","90","","90","","90","","2521.6","0.3","293.15","0.02","293.15","0.02","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,6-Diaminopyridine‒piracetam (1/1)","2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C88 H136 N40 O16 -","8","1","FN3239","Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo","Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 10","767","772","10.1107/S205322961701230X","","","0.71073","MoKα","","0.0619","0.0561","","","0.13","0.136","","","","","","1.191","","","","has coordinates","246161","2020-10-21","18:00:00",""
"2311941","7.7401","0.0002","16.5086","0.0004","28.3013","0.0007","90","","90","","90","","3616.29","0.16","295","0.1","295","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum","","- C16 H16 Cl2 F4 N2 O2 Pd -","- C16 H16 Cl2 F4 N2 O2 Pd -","- C128 H128 Cl16 F32 N16 O16 Pd8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0298","0.022","","","0.0471","0.0507","","","","","","1.079","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2311942","7.7215","0.0002","16.5892","0.0004","28.1692","0.0007","90","","90","","90","","3608.29","0.16","100","0.2","100","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Cl2 F4 N2 O2 Pt -","- C16 H16 Cl2 F4 N2 O2 Pt -","- C128 H128 Cl16 F32 N16 O16 Pt8 -","8","1","KU3207","Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang","Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 11","930","936","10.1107/S2053229617013857","","","0.71073","MoKα","","0.0245","0.0204","","","0.0416","0.0431","","","","","","1.115","","","","has coordinates","246179","2020-10-21","18:00:00",""
"2312050","15.5785","0.0008","16.4215","0.0007","18.3126","0.0009","90","","90","","90","","4684.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","{2-[(<i>E</i>)-4-Bromostyryl]-4-[(<i>E</i>)-2-(thiophen-2-yl)vinyl]quinolin-3-yl}(phenyl)methanone","{2-[(<i>E</i>)-2-(4-Bromophenyl)ethenyl]-4-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]quinolin-3-yl}(phenyl)methanone","","- C30 H20 Br N O S -","- C30 H20 Br N O S -","- C240 H160 Br8 N8 O8 S8 -","8","1","OV3167","Vera, Diana R.; Ardila, Diana M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Conversion of 2-methyl-4-styrylquinolines into 2,4-distyrylquinolines: synthesis, and spectroscopic and structural characterization of five examples.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 3","94","103","10.1107/S2053229623001432","","","0.71073","MoKα","","0.0526","0.0401","","","0.0935","0.1012","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","282416","2023-04-05","15:37:06",""
"2312073","11.3725","0.0008","7.8492","0.0005","39.286","0.002","90","","90","","90","","3506.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Methylbenzyl)oxy]-<i>N</i>'-[(thiophen-2-yl)methylidene]benzohydrazide","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C160 H144 N16 O16 S8 -","8","1","WM5671","Banna, Md Hasan Al; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Ansary, Md Rezaul Haque; Zangrando, Ennio","Crystal structures of 4-[(4-methyl-benz-yl)-oxy]benzohydrazide and its <i>N</i>'-[(thio-phen-2-yl)-methyl-idene]- derivative.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","207","211","10.1107/S2056989023001354","","","0.71075","MoKα","","0.1531","0.0782","","","0.1693","0.201","","","","","","1.022","","","","has coordinates,has Fobs","282428","2023-04-05","16:07:50",""
"2312074","11.874","0.004","19.579","0.007","24.374","0.009","90","","90","","90","","5666","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,6-Diisopropyldinaphtho[2,1-<i>d</i>:1',2'-<i>f</i>][1,3]dithiepin-4-yl)(phenyl)methanol atropisomer","","- C34 H32 O S2 -","- C34 H32 O S2 -","- C272 H256 O8 S16 -","8","1","HB8055","Beare, Neil; Painter, Gavin F.; McAdam, C. John","Syntheses and crystal structure of a (2,6-diiso-propyldi-naphtho-[2,1-<i>d</i>:1',2'-<i>f</i>][1,3]dithiepin-4-yl)(phen-yl)methanol atropisomer.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","241","245","10.1107/S2056989023001706","","","0.71073","MoKα","","0.1169","0.0498","","","0.0986","0.127","","","","","","1.061","","","","has coordinates,has Fobs","282429","2023-04-05","16:08:23",""
"2312089","11.1747","0.0004","10.485","0.0004","20.1368","0.0008","90","","90","","90","","2359.36","0.15","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(Piperidine-1-sulfonyl)aniline","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","1","OJ3005","Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.","N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","730","742","10.1107/S2053229622010130","","","0.71073","MoKα","","0.0348","0.0293","","","0.0818","0.0868","","","","","","1.046","","","","has coordinates,has Fobs","282758","2023-04-20","04:03:04",""
"2312103","17.8598","0.0008","15.0255","0.0007","33.92","0.002","90","","90","","90","","9102.5","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[2-({[2-(Dimethylamino-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C23 H23 Cl Cu N4 O5 -","- C23 H23 Cl Cu N4 O5 -","- C368 H368 Cl16 Cu16 N64 O80 -","16","2","DJ2061","Mamindla, Anjaneyulu; Varadhan, Manikandan; Velusamy, Marappan; Ulaganathan, Venkatasubramanian; Rajendiran, Venugopal","Crystal structure of [2-({[2-(dimethylamino-κ<i>N</i>)ethyl]imino-κ<i>N</i>}methyl)phenolato-κ<i>O</i>](1,10-phen-anthroline-κ<sup>2</sup> <i>N</i>,<i>N</i>')copper(II) perchlorate.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","259","263","10.1107/S2056989023001767","","","0.71073","MoKα","","0.0891","0.0535","","","0.1121","0.1298","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","283566","2023-05-06","10:21:17",""
"2312105","11.1351","0.0001","17.0545","0.0002","19.9131","0.0003","90","","90","","90","","3781.57","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","/ (2^2^<i>RS</i>,2^3^<i>SR</i>,2^5^<i>RS</i>,2^6^<i>SR</i>)-\ 2^3^,2^5^,5-trimethyl-2^1^-(2,2,2-\ trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-difuranacyclohexaphan-\ 2^4^-one","","- C20 H21 F3 N2 O4 -","- C20 H21 F3 N2 O4 -","- C160 H168 F24 N16 O32 -","8","1","TX2063","Yıldırım, Sema Öztürk; Akkurt, Mehmet; Ershova, Anastasia A.; Grigoriev, Mikhail S.; Rocha, Bruno G. M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (2<sup>2</sup> <i>RS</i>,2<sup>3</sup> <i>SR</i>,2<sup>5</sup> <i>RS</i>,2<sup>6</sup> <i>SR</i>)-2<sup>3</sup>,2<sup>5</sup>,5-trimethyl-2<sup>1</sup>-(2,2,2-tri-fluoro-acet-yl)-5-aza-2(2,6)-piperidina-1,3(2,5)-di-furana-cyclo-hexa-phan-2<sup>4</sup>-one.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","292","296","10.1107/S2056989023001986","","","1.54184","CuKα","","0.0389","0.0368","","","0.1005","0.1022","","","","","","1.034","","","","has coordinates,has Fobs","283568","2023-05-06","10:23:22",""
"2312135","14.1807","0.0006","7.4675","0.0003","20.0702","0.0008","90","","90","","90","","2125.32","0.15","293","","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3-(Dihydroxyboryl)anilinium bisulfate monohydrate","3-(Dihydroxyboryl)anilinium hydrogen sulfate monohydrate","","- C6 H12 B N O7 S -","- C6 H12 B N O7 S -","- C48 H96 B8 N8 O56 S8 -","8","1","VP3028","Rivera-Segura, Jacobo; Barba, Victor; Hernandez-Ahuactzi, Iran F; Tlahuext, Hugo","Boron-π interactions in two 3-(dihydroxyboryl)anilinium salts analyzed by crystallographic studies and supported by the noncovalent interactions (NCI) index theoretical approach.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","269","276","10.1107/S2053229623005065","","","1.54184","CuKα","","0.0536","0.0512","","","0.1343","0.1379","","","","","","1.081","","","","has coordinates","284685","2023-06-29","15:27:41",""
"2312303","10.6328","0.0005","8.5651","0.0005","23.8669","0.0013","90","","90","","90","","2173.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Dopamine ethanedisulfonate","2-(3,4-Dihydroxyphenyl)ethan-1-aminium ethane-1,2-disulfonate","","- C18 H28 N2 O10 S2 -","- C18 H28 N2 O10 S2 -","- C72 H112 N8 O40 S8 -","4","0.5","OP3027","Kennedy, Alan R.; Cruickshank, Laura; Maher, Pamela; McKinnon, Zoe","A structural comparison of salt forms of dopamine with the structures of other phenylethylamines.","Acta crystallographica. Section C, Structural chemistry","2023","79","10","","","10.1107/S2053229623007696","","","1.5418","CuKα","","0.0479","0.0409","","","0.1234","0.1342","","","","","","1.138","","","","has coordinates,has Fobs","286395","2023-09-19","01:36:56",""
"2312420","8.5626","0.0016","18.701","0.004","19.024","0.004","90","","90","","90","","3046.3","1.1","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Phenyl-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C17 H12 N6 -","- C17 H12 N6 -","- C136 H96 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.1252","0.05","","","0.1115","0.1349","","","","","","0.918","","","","has coordinates,has Fobs","290475","2024-03-13","03:08:11",""
"2312424","15.7069","0.001","11.8266","0.0011","17.5763","0.0012","90","","90","","90","","3265","0.4","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(4-Methylphenyl)-3-(pyridin-2-yl)-5-(pyrimidin-2-yl)-1,2,4-triazole","","- C18 H14 N6 -","- C18 H14 N6 -","- C144 H112 N48 -","8","1","VP3032","Song, Huijie; Peng, Ri; Zuo, Yi; Wang, Tao; Zhu, Dunru","Syntheses, crystal structures and intermolecular interactions of six novel pyrimidin-2-yl-substituted triaryltriazoles.","Acta crystallographica. Section C, Structural chemistry","2024","80","4","","","10.1107/S2053229624002018","","","0.71073","MoKα","","0.0843","0.0542","","","0.1435","0.157","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","290475","2024-03-13","03:08:16",""
"2312431","7.2034","0.0003","5.961","0.0002","37.6935","0.0012","90","","90","","90","","1618.54","0.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0678","0.0636","","","0.1825","0.186","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","290606","2024-03-23","03:02:08",""
"2312434","7.1094","0.0002","5.9629","0.0002","29.6773","0.0008","90","","90","","90","","1258.1","0.06","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0388","0.035","","","0.095","0.0997","","","","","","1.056","","","","has coordinates,has Fobs","290606","2024-03-23","03:02:09",""
"2312476","21.4196","0.0008","6.1927","0.0002","21.9265","0.0008","90","","90","","90","","2908.44","0.18","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,3',5,5'-Tetranitro-4,4'-bipyrazole tetrahydrate","","- C6 H10 N8 O12 -","- C6 H10 N8 O12 -","- C48 H80 N64 O96 -","8","1","VP3035","Domasevitch, Kostiantyn V.; Krautscheid, Harald","Two metastable high hydrates of energetic material 3,3',5,5'-tetranitro-4,4'-bipyrazole.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003346","","x-ray","1.54186","CuKα","","0.049","0.0352","","","0.0857","0.0923","","","","","","0.903","","","","has coordinates,has Fobs","291377","2024-04-27","01:47:08",""
"2312517","17.5993","0.0003","16.4583","0.0002","19.7389","0.0002","90","","90","","90","","5717.46","0.13","99.99","0.1","99.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tetrakis(μ-4-hydroxybenzoato)bis[(4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)copper(II)] dioxane disolvate","","- C56 H52 Cu2 N4 O20 -","- C56 H52 Cu2 N4 O20 -","- C224 H208 Cu8 N16 O80 -","4","0.5","JX3083","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin","Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers.","Acta crystallographica. Section C, Structural chemistry","2024","80","6","","","10.1107/S2053229624004534","","x-ray","1.54184","CuKα","","0.0568","0.0444","","","0.121","0.1294","","","","","","1.061","","","","has coordinates,has disorder","292001","2024-05-23","01:50:31",""
"2312524","9.9714","0.0004","9.8671","0.0003","11.1884","0.0004","90","","90","","90","","1100.81","0.07","101","2","101","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonium 2-amminomalonate","Ammonium 2-azaniumylpropanedioate","","- C3 H8 N2 O4 -","- C3 H8 N2 O4 -","- C24 H64 N16 O32 -","8","1","WV3014","Hollenwäger, Dirk; Nitzer, Alexander; Bockmair, Valentin; Kornath, Andreas J.","The crystal structure of the ammonium salt of 2-aminomalonic acid.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 7","291","296","10.1107/S2053229624005576","","","0.71073","MoKα","","0.0404","0.0386","","","0.1113","0.1126","","","","","","1.203","","","","has coordinates","293982","2024-08-06","22:02:51",""
"2312537","16.5563","0.0007","16.2392","0.0007","19.3372","0.0009","90","","90","","90","","5199","0.4","108","2","108","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl[η^5^-2-bromo-1,3-bis(methylsulfanyl)cyclopentadienyl](triphenylphosphane-κ<i>P</i>)manganese","","- C27 H23 Br Mn O2 P S2 -","- C27 H23 Br Mn O2 P S2 -","- C216 H184 Br8 Mn8 O16 P8 S16 -","8","1","QF3063","Klein-Hessling, Christian; Blockhaus, Tobias; Sünkel, Karlheinz","Synthesis, spectroscopic and crystallographic characterization of various cymantrenyl thioethers [Mn{C<sub>5</sub>H<sub>x</sub>Br<sub>y</sub>(SMe)<sub>z</sub>}(PPh<sub>3</sub>)(CO)<sub>2</sub>].","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S205322962400603X","","","0.71073","MoKα","","0.0488","0.0348","","","0.0792","0.0878","","","","","","1.072","","","","has coordinates","293324","2024-07-09","02:02:29",""
"2312541","10.792","0.0002","18.713","0.0004","23.299","0.0005","90","","90","","90","","4705.25","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Etoricoxib–benzoic acid (1/1)","5-Chloro-2-(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl)phenyl]pyridine–\ benzoic acid","","- C25 H21 Cl N2 O4 S -","- C25 H21 Cl N2 O4 S -","- C200 H168 Cl8 N16 O32 S8 -","8","1","YP3237","Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing","Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006193","","","0.71073","MoKα","","0.1591","0.0681","","","0.1426","0.1922","","","","","","1.015","","","","has coordinates,has Fobs","293325","2024-07-09","02:03:10",""
"2312542","10.536","0.002","19.246","0.004","23.343","0.005","90","","90","","90","","4733.4","1.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Etoricoxib–4-fluorobenzoic acid (1/1)","5-Chloro-2-(6-methylpyridin-3-yl)-3-[4-(methylsulfonyl)phenyl]pyridine–\ 4-fluorobenzoic acid","","- C25 H20 Cl F N2 O4 S -","- C25 H20 Cl F N2 O4 S -","- C200 H160 Cl8 F8 N16 O32 S8 -","8","1","YP3237","Ma, Yu Heng; Yang, Kang; Qian, Yan Ling; Hong, Wei Pu; Zhang, Kai Yue; Tao, Zhen Wei; Meng, Hui; Ma, Wen Jing","Supramolecular interactions in cocrystals of benzoic acid derivatives with selective COX-2 inhibitor etoricoxib.","Acta crystallographica. Section C, Structural chemistry","2024","80","8","","","10.1107/S2053229624006193","","","0.71073","MoKα","","0.159","0.0733","","","0.1528","0.1909","","","","","","1.02","","","","has coordinates,has Fobs","293325","2024-07-09","02:03:19",""
"2312605","14.6398","0.0008","15.2842","0.0009","20.5313","0.0012","90","","90","","90","","4594","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(Butanolato)(subphthalocyaninato)boron","","- C28 H21 B N6 O -","- C28 H21 B N6 O -","- C224 H168 B8 N48 O8 -","8","1","DG3059","Zigelstein, Rachel; Lough, Alan J.; Bender, Timothy P.","The influence of the axial group on the crystal structures of boron subphthalocyanines.","Acta crystallographica. Section C, Structural chemistry","2024","80","10","","","10.1107/S2053229624006934","","","1.54178","CuKα","","0.0492","0.038","","","0.0888","0.0949","","","","","","1.067","","","","has coordinates","294359","2024-09-04","02:05:10",""
"2312690","15.8661","0.0003","15.864","0.0003","19.5003","0.0005","90","","90","","90","","4908.22","0.18","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[hexa-μ-acetato-(acetic acid)-μ~3~-oxido-<i>triangulo</i>-triiron(III)]-μ-acatato]","","- C16 H25 Fe3 O17 -","- C16 H25 Fe3 O17 -","- C128 H200 Fe24 O136 -","8","1","JX3089","Abrahams, Brendan F.; Robson, Richard; Commons, Christopher J.","A polymeric form of basic iron(III) acetate with an acetic acid ligand.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624010672","","x-ray","1.54184","CuKα","","0.077","0.0556","","","0.1422","0.1564","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","296041","2024-11-21","03:04:26",""
"2312733","12.8759","0.0005","11.8899","0.0004","14.6252","0.0007","90","","90","","90","","2239.02","0.16","101","2","101","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,4-Dimethoxy-4-oxobut-2-en-1-ylidene]oxidanium tetrafluoroborate–hydrogen fluoride (1/2)","","- C6 H11 B F6 O4 -","- C6 H11 B F6 O4 -","- C48 H88 B8 F48 O32 -","8","1","OJ3025","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011653","","","0.71073","MoKα","","0.0473","0.0396","","","0.095","0.0999","","","","","","1.047","","","","has coordinates","296811","2024-12-10","02:51:30",""
"2312734","7.8461","0.0006","15.1531","0.0011","19.5536","0.0017","90","","90","","90","","2324.8","0.3","101","2","101","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Hemi{[1,4-dimethoxy-4-oxidaniumylidenebut-2-en-1-ylidene]oxidanium} undecafluorodiarsenate","","- C3 H5 F11 O2 Sb2 -","- C3 H5 F11 O2 Sb2 -","- C24 H40 F88 O16 Sb16 -","8","1","OJ3025","Hollenwäger, Dirk; Bockmair, Valentin; Kornath, Andreas J.","The crystal structures of methyl prop-2-ynoate, dimethyl fumarate and their protonated species.","Acta crystallographica. Section C, Structural chemistry","2025","81","1","","","10.1107/S2053229624011653","","","0.71073","MoKα","","0.0568","0.0362","","","0.0633","0.0706","","","","","","1.04","","","","has coordinates","296811","2024-12-10","02:51:31",""
"2312739","12.6983","0.0006","21.8868","0.0011","22.6831","0.0012","90","","90","","90","","6304.2","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,3'-Bis(ferrocenylcarbonyl)-1,1'-(benzene-1,2-diyl)bis(thiourea) acetone monosolvate","","- C33 H32 Fe2 N4 O3 S2 -","- C33 H32 Fe2 N4 O3 S2 -","- C264 H256 Fe16 N32 O24 S16 -","8","1","QF3066","Duan, Xin E.; Jiang, Ze Jin; Tong, Hong Bo; Bai, Sheng Di","Synthesis and diverse crystal packing in o-, m- and p-bis(carbonylthioureido)benzenes containing bisferrocenes.","Acta crystallographica. Section C, Structural chemistry","2025","81","2","","","10.1107/S2053229625000282","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0823","0.0902","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","297452","2025-01-24","03:05:34",""
"2312749","18.1735","0.0004","8.77666","0.00018","5.19316","0.0001","90","","90","","90","","828.32","0.03","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Fe0.13 Li0.13 Mg0.73 O3 Si -","- Fe0.1349 Li0.1349 Mg0.7302 O3 Si -","- Fe2.1584 Li2.1584 Mg11.6832 O48 Si16 -","16","2","RA5147","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0324","0.028","","","0.0491","0.05","","","","","","1.274","","","","has coordinates","297534","2025-01-30","03:00:29",""
"2312750","18.1654","0.0004","8.773","0.0002","5.1958","0.0001","90","","90","","90","","828.03","0.03","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Fe0.14 Li0.14 Mg0.71 O3 Si -","- Fe0.14495 Li0.14495 Mg0.7101 O3 Si -","- Fe2.3192 Li2.3192 Mg11.3616 O48 Si16 -","16","2","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0296","0.0207","","","0.0398","0.042","","","","","","1.015","","","","has coordinates","297534","2025-01-30","03:00:30",""
"2312751","18.1718","0.0004","8.7706","0.0002","5.1992","0.0001","90","","90","","90","","828.64","0.03","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Fe0.16 Li0.16 Mg0.69 O3 Si -","- Fe0.15675 Li0.15675 Mg0.6865 O3 Si -","- Fe2.508 Li2.508 Mg10.984 O48 Si16 -","16","2","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bloise, Andrea; Bosi, Ferdinando","Crystal structure and doping in synthetic enstatite: an analysis of Li/Fe<sup>3+</sup>-doped single-crystal samples.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2025","81","1","","","10.1107/S2052520624011624","","","0.71073","MoKα","","0.0212","0.0188","","","0.0399","0.0406","","","","","","1.168","","","","has coordinates","297534","2025-01-30","03:00:30",""
"3000047","13.8462","0.0011","15.3234","0.0012","34.197","0.003","90","","90","","90","","7255.6","1","","","150.15","","","","","","","","","5","P b c a","-P 2ac 2ab","","","","","- C40 H38 B2 F8 P2 -","","","","","","Samantha Kruse; Stephanie Hurst","Rapid one-pot synthesis of cycloheptatrienyl-phosphonium derivatives","To be published in Tetrahedron Letters","","","","","","","","","0.71073","MoKα","","0.06","0.0412","","","0.0951","0.1058","","","","","","1.0479","","","","","297259","2025-01-10","08:42:25","2015-10-13"
"3000220","14.3058","0.0009","7.1686","0.0004","30.771","0.002","90","","90","","90","","3155.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H9 N5 O -","- C6 H9 N5 O -","- C96 H144 N80 O16 -","16","2","","Gines M. Esteban-Parra; Eider San Sebastián; Javier Cepeda; Cristina Sánchez-González; Lorenzo Rivas; Juan Llopis; Pilar Aranda; Miguel Quirós; Antonio Rodríguez-Diéguez","Anti-diabetic and anti-parasitic properties of a family of luminescent zinc coordination compounds based on the 7-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine ligand","Journal of Inorganic Biochemistry","2020","212","","111235","","10.1016/j.jinorgbio.2020.111235","","","0.71069","MoKα","","0.0603","0.0453","","","0.1031","0.1099","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","274292","2022-04-04","05:56:25",""
"3000232","4.9236","","5.0143","","10.3174","","90","","90","","90","","254.72","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","Zn2SiO4","","Zn2SiO4 with Ca2RuO4 structure","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 with Ca2RuO4 structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","297259","2025-01-10","08:43:02","2020-04-22"
"3000239","10.8823","","9.7025","","6.0886","","90","","90","","90","","642.868","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","","Zn2SiO4","","Zn2SiO4 phase IV","- O4 Si Zn2 -","","","","","","Kanzaki, M.","High-pressure phase relations in Zn2SiO4 system: A first-principles study (DFT optimized Zn2SiO4 IV structure at 0 K)","To be published","","","","","","","","","","","","","","","","","","","","","","","","","","","","297259","2025-01-10","08:43:02","2020-04-22"
"3000303","11.6509","0.0019","16.126","0.003","33.091","0.005","90","","90","","90","","6217.2","1.8","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C32 H33 Cl2 Cu N5 O8 -","","","","","","Akio Ojida","ENTER SECTION TITLE","To be published in Communications Chemistry","","","","","","","","","0.71075","MoKα","","0.0498","0.0455","","","0.1201","0.1228","","","","","","1.032","","","","","297269","2025-01-10","13:21:27","2021-11-08"
"3000304","11.704","0.002","16.022","0.003","33.43","0.006","90","","90","","90","","6268.8","1.9","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","","","","","- C32 H32 Cl2 N5 O8 Zn -","","","","","","Akio Ojida","ENTER SECTION TITLE","To be published in Communications Chemistry","","","","","","","","","0.71075","MoKα","","","0.0307","","","","0.0357","","","","","","1.162","","","","","297269","2025-01-10","13:21:27","2021-11-08"
"3000443","10.4693","0.0003","9.8962","0.0002","25.0515","0.0007","90","","90","","90","","2595.49","0.12","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","","","3-(benzo[d]thiazol-2-yl)-3-hydroxypentanedioic acid monohydrate","","- C12 H13 N O6 S -","","","","","","Rakovský, Erik; Hrobárik, Peter; Nociarová, Jela","","To be published","","","","","","","","x-ray","1.54184","CuKα","","0.0321","0.0254","","","0.056","0.0583","","","","","","1.08","","","","","284004","2023-05-25","09:48:59","2024-04-25"
"3000444","10.4693","0.0003","9.8962","0.0002","25.0515","0.0007","90","","90","","90","","2595.49","0.12","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","","","3-(benzo[d]thiazol-2-yl)-3-hydroxypentanedioic acid monohydrate","","- C12 H13 N O6 S -","","","","","","Rakovský, Erik; Hrobárik, Peter; Nociarová, Jela","","To be published","","","","","","","","x-ray","1.54184","CuKα","","0.0395","0.033","","","0.0778","0.0808","","","","","","1.0564","","","","","284005","2023-05-25","09:56:10","2023-10-25"
"3000578","13.745","0.001","14.38","0.002","26.31","0.003","90","","90","","90","","5200.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","","","6-(4-nitrophenoxy)hexanoic acid (NO2-Ph-5-S)","","- C24 H30 N2 O10 -","","","","","","Zugenmaier","","To be published in Crystals","","","","","","","","","1.54184","CuKα","","0.0644","0.039","","","0.1046","0.12","","","","","","1.034","","","","","296924","2024-12-19","16:52:10","2025-06-19"
"3500091","16.9583","0.0006","6.7846","0.0002","20.6053","0.0007","90","","90","","90","","2370.75","0.14","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","'benzoic acid 3,5-dicarboxylate ethylenediammonium'","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C88 H112 N16 O48 -","8","1","","Thierry Maris","benzoic acid 3,5-dicarboxylate ethylenediammonium","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0472","0.0408","","","0.0927","0.0965","","","","","","1.096","","","","has coordinates,has Fobs","246676","2020-10-21","18:00:00",""
"3500105","13.5504","0.0004","7.5443","0.0002","14.8005","0.0005","90","","90","","90","","1513.03","0.08","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,5-dimethoxyphenol","3,5-dimethoxyphenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0347","0.0338","","","0.0929","0.0941","","","","","","1.067","","","","has coordinates,has Fobs","251906","2020-10-21","18:00:00",""
"3500125","13.338","0.009","13.199","0.009","23.572","0.015","90","","90","","90","","4150","5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl2 Cu N8 O12 -","- C12 H16 Cl2 Cu N8 O12 -","- C96 H128 Cl16 Cu8 N64 O96 -","8","1","","Noelia Santamaría; Miguel Quirós; Juan M. Salas","","Personal communication to COD","2022","","","","","","","","0.71073","MoKα","","0.103","0.0587","","","0.1358","0.1593","","","","","","1.022","","","","has coordinates,has Fobs","274737","2022-04-28","06:05:40",""
"4000021","11.6493","0.0014","9.5395","0.0014","21.751","0.003","90","","90","","90","","2417.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis(EDT)ethane","1,2-bis(3',4'-(ethylendithio)-tetrathiafulvalen-3-yl)ethane","","- C18 H14 S12 -","- C18 H14 S12 -","- C72 H56 S48 -","4","0.5","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.3571","0.0546","","0.1133","0.0693","","","","0.914","1.157","1.157","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000083","6.711","0.001","6.614","0.001","17.72","0.004","90","","90","","90","","786.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Mn N Se -","- C H4 Mn N Se -","- C8 H32 Mn8 N8 Se8 -","8","1","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0407","0.0278","","","0.0655","0.0694","","","","","","1.132","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000155","7.4052","0.0002","10.1144","0.0003","18.7512","0.0005","90","","90","","90","","1404.45","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Eu2 O8 -","- C16 H8 Eu2 O8 -","- C64 H32 Eu8 O32 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm0211148","","","0.71073","MoKα","","0.0385","0.0263","","","0.0572","0.0608","","","","","","0.976","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000257","10.3417","0.001","10.0475","0.001","16.9927","0.0017","90","","90","","90","","1765.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H10 N2 O6 P2 Sn -","- C0.888889 H1.77778 N1.77778 O5.33333 P1.77778 Sn0.888889 -","- C8 H16 N16 O48 P16 Sn8 -","9","1.125","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.031","0.0268","","","0.0714","0.0734","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000276","8.5851","0.0001","19.8223","0.0002","32.9218","0.0003","90","","90","","90","","5602.51","0.1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H34 F12 N2 O3 Ru -","- C23 H34 F12 N2 O3 Ru -","- C184 H272 F96 N16 O24 Ru8 -","8","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm030029c","","","0.71073","MoKα","","0.0758","0.0395","","","0.0849","0.1085","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000280","16.4458","0.0003","6.7793","0.0001","29.6942","0.0006","90","","90","","90","","3310.64","0.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(4-[N-tert-butyl-N-aminoxyl]phenyl)-1,3-benzenedicarboxylic acid","","- C18 H18 N O5 -","- C18 H18 N O5 -","- C144 H144 N8 O40 -","8","1","","","LF336","Chemistry of Materials","2003","","","","","10.1021/cm034225v","","","0.71073","MoKα","","0.1078","0.0637","","","0.1525","0.1761","","","","","","1.081","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000376","16.0068","0.0015","14.5129","0.0008","7.0231","0.0005","90","","90","","90","","1631.5","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sodium Vanadyl Phosphate","Sodium Vanadium Oxide Phosphate","","- Na4 O9 P2 V -","- Na4 O9 P2 V -","- Na32 O72 P16 V8 -","8","1","","Rodion V. Panin; Roman V. Shpanchenko; Andrey V. Mironov; Yuri A. Velikodny; Evgeny V. Antipov; Joke Hadermann; Vasily A. Tarnopolsky; Andrey B. Yaroslavtsev","Crystal Structure, Polymorphism and Properties of the New Vanadylphosphate Na4VO(PO4)2","Chemistry of Materials","2004","","","","","10.1021/cm0351543","","","0.71069","MoKα","","0.0294","0.0294","","","0.0405","0.0405","","","","1.71","1.71","1.71","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000475","23.1512","0.0013","13.0142","0.0007","23.2007","0.0013","90","","90","","90","","6990.2","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C184 H208 Cl48 Mn8 N48 Nb24 O16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0355","0.027","","","0.0664","0.0696","","","","","","1.055","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000514","11.495","0.002","7.1318","0.0014","19.172","0.004","90","","90","","90","","1571.8","0.5","175","5","175","5","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thallium Lanthanum Germanium Selenide","","","- Ge La Se4 Tl -","- Ge La Se4 Tl -","- Ge8 La8 Se32 Tl8 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000536","15.8224","0.0007","9.0385","0.0004","17.4504","0.0008","90","","90","","90","","2495.59","0.19","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Ga2 N4 O22 P4 V2 -","- C8 H24 Ga2 N4 O22 P4 V2 -","- C32 H96 Ga8 N16 O88 P16 V8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000579","13.4904","0.0017","16.202","0.002","17.065","0.002","90","","90","","90","","3729.9","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 In N2 O6 -","- C22 H14 In N2 O6 -","- C176 H112 In8 N16 O48 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000581","14.26","0.006","14.184","0.006","18.653","0.008","90","","90","","90","","3773","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H11 In N2 O7.25 -","- C19 H13 In N2 O7.25 -","- C152 H104 In8 N16 O58 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000664","8.6048","0.0011","8.4436","0.0011","16.095","0.002","90","","90","","90","","1169.4","0.3","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","9,10-Dimethoxyanthracene","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000696","29.021","0.001","10.418","0.001","8.374","0.005","90","","90","","90","","2531.8","1.5","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Cl N5 S2 -","- C6 Cl N6 S2 -","- C48 Cl8 N48 S16 -","8","1","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.54178","CuKα","","","0.0723","","","0.098","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000709","15.7228","0.0018","11.5429","0.0012","23.123","0.003","90","","90","","90","","4196.5","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Cl N3 -","- C23 H26 Cl N3 -","- C184 H208 Cl8 N24 -","8","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71073","MoKα","","0.1447","0.0553","","0.1472","0.0685","0.1472","","","","","","0.8155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000824","13.922","0.005","11.778","0.005","24.558","0.005","90","","90","","90","","4027","2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N3 O4 -","- C18 H26 N3 O4 -","- C144 H208 N24 O32 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1065","0.084","","","0.2337","0.2643","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000826","13.7796","0.0007","12.3236","0.0006","16.0651","0.0004","90","","90","","90","","2728.1","0.2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1108","0.0598","","","0.1436","0.1713","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000827","13.7284","0.0006","12.2673","0.0006","16.0254","0.0008","90","","90","","90","","2698.8","0.2","15","2","15","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.4428","synchrotron","","0.0799","0.0622","","","0.1756","0.1975","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000901","11.924","0.003","5.2521","0.0013","14.989","0.004","90","","90","","90","","938.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Cu N2 O2 -","- C10 H8 Cu N2 O2 -","- C40 H32 Cu4 N8 O8 -","4","0.5","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold","Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD","Chemistry of Materials","2010","22","17","4844","","10.1021/cm101442e","","","0.71073","MoKα","","0.0442","0.0403","","","0.0922","0.0944","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000915","10.6895","0.0018","18.763","0.003","25.788","0.004","90","","90","","90","","5172.2","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 N6 Ni O2 S2 -","- C20 H40 N6 Ni O2 S2 -","- C160 H320 N48 Ni8 O16 S16 -","8","1","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.042","0.0295","","","0.0646","0.0679","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000943","14.0954","0.0002","13.6059","0.0002","16.2976","0.0002","90","","90","","90","","3125.56","0.07","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C136 H136 N24 O32 -","8","1","","Schreiter, Katja; Hofmann, Katja; Seifert, Andreas; Oehlke, Alexander; Ladewig, Katharina; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Novel Periphery-Functionalized Solvatochromic Nitrostilbenes As Precursors for Class II Hybrid Materials","Chemistry of Materials","2010","22","9","2720","","10.1021/cm903048u","","","1.54184","CuKα","","0.0426","0.0355","","","0.1025","0.1056","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000976","17.6591","0.0017","17.6477","0.0017","42.628","0.004","90","","90","","90","","13285","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H62 Ag B F4 S4 Si -","- C78 H62 Ag B F4 S4 Si -","- C624 H496 Ag8 B8 F32 S32 Si8 -","8","1","","Huang, Guo; Yang, Chen; Xu, Zhengtao; Wu, Haohan; Li, Jing; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Shape-Selective Sorption and Fluorescence Sensing of Aromatics in a Flexible Network of Tetrakis[(4-methylthiophenyl)ethynyl]silane and AgBF4","Chemistry of Materials","2009","21","3","541","","10.1021/cm8027687","","","0.71073","MoKα","","0.1044","0.0725","","","0.1913","0.2222","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001025","16.508","0.003","10.367","0.002","21.587","0.004","90","","90","","90","","3694.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H14 S2 -","- C26.01 H14.01 S1.861 -","- C208.08 H112.08 S14.888 -","8","1","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71069","MoKα","","0.0918","0.049","","","0.1211","0.142","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001063","7.82857","0.00008","11.21789","0.00012","7.46427","0.00008","90","","90","","90","","655.512","0.012","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- La O4 Ta -","- La O4 Ta -","- La8 O32 Ta8 -","8","1","","Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E.","Unique LaTaO4Polymorph for Multiple Energy Applications","Chemistry of Materials","2009","21","19","4731","","10.1021/cm9020645","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001145","7.88","0.01","11.44","0.02","18.11","0.03","90","","90","","90","","1633","4","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun","Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes","Chemistry of Materials","2008","20","15","4883","","10.1021/cm703499q","","","0.7107","MoKα","","","0.1199","","","","0.2969","","","","","","1.327","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001276","15.6251","0.0009","16.3217","0.0009","18.1244","0.001","90","","90","","90","","4622.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TIF-4","TIF-4","","- C11.5 H11 N4 Zn -","- C11.5 H11 N4 Zn -","- C184 H176 N64 Zn16 -","16","2","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.0882","0.0709","","","0.2216","0.2448","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001335","13.1663","0.0017","23.426","0.003","23.615","0.003","90","","90","","90","","7283.7","1.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H68 Cl12 Mn2 N12 Nb6 O6 -","- C52 H60 Cl12 Mn2 N12 Nb6 O6 -","- C208 H240 Cl48 Mn8 N48 Nb24 O24 -","4","0.5","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.1014","0.062","","","0.1082","0.1219","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001392","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Murata, Hidenori; Mague, Joel T.; Aboaku, Safo; Yoshioka, Naoki; Lahti, Paul M.","An Organic Radical Solid Solution with Strong Ferromagnetic Exchange","Chemistry of Materials","2007","19","17","4111","","10.1021/cm0711459","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001396","13.261","0.0009","7.6398","0.0005","21.3062","0.0014","90","","90","","90","","2158.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 B N5 -","- C9 H6 B N5 -","- C72 H48 B8 N40 -","8","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.1","0.047","","","0.0968","0.1175","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001464","8.814","0.002","8.591","0.002","27.644","0.005","90","","90","","90","","2093.2","0.8","273.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0709","","","","0.1715","","","","","","1.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001465","8.9315","0.0007","26.023","0.003","8.4082","0.0007","90","","90","","90","","1954.3","0.3","128.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.1081","","","","0.2642","","","","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001470","8.8871","0.0003","9.2148","0.0003","24.1897","0.0009","90","","90","","90","","1980.96","0.12","273.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Sn -","- C8 I4 N2 O4 Sn -","- C32 I16 N8 O16 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0492","","","","0.1457","","","","","","1.613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001513","12.2752","0.0013","8.253","0.0008","22.052","0.002","90","","90","","90","","2234","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-aminoethyl)-4-nitroaniline formic acid (salt)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C72 H104 N24 O32 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1016","0.0489","","","0.1027","0.1136","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001548","14.342","0.002","5.776","0.0008","51.085","0.007","90","","90","","90","","4231.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Br N O2 -","- C20 H32 Br N O2 -","- C160 H256 Br8 N8 O16 -","8","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0881","0.0664","","","0.1693","0.1827","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001620","7.2099","0.0009","7.2664","0.0009","38.238","0.005","90","","90","","90","","2003.3","0.4","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","0.5","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0437","0.04","","","0.1106","0.112","","","","","","1.329","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001661","11.1655","0.0002","20.1365","0.0004","33.784","0.0006","90","","90","","90","","7595.8","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 In N2 O3 Si4 Sn -","- C24 H63 In N2 O3 Si4 Sn -","- C192 H504 In8 N16 O24 Si32 Sn8 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.1001","0.0608","","","0.0802","0.088","","","","","","1.147","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001956","12.6029","0.001","15.0179","0.0012","20.6246","0.0015","90","","90","","90","","3903.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H34 N4 Sn -","- C16 H34 N4 Sn -","- C128 H272 N32 Sn8 -","8","1","","Kim, Sang Bok; Sinsermsuksakul, Prasert; Hock, Adam S.; Pike, Robert D.; Gordon, Roy G.","Synthesis of N-Heterocyclic Stannylene (Sn(II)) and Germylene (Ge(II)) and a Sn(II) Amidinate and Their Application as Precursors for Atomic Layer Deposition","Chemistry of Materials","2014","26","10","3065","","10.1021/cm403901y","","","0.71073","MoKα","","0.039","0.0266","","","0.0549","0.0598","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001985","14.638","0.002","19.642","0.003","20.303","0.003","90","","90","","90","","5837.5","1.5","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H27 Al N4 O3 -","- C36 H27 Al N4 O3 -","- C288 H216 Al8 N32 O24 -","8","1","","Lin, Na; Qiao, Juan; Duan, Lian; Xue, Jie; Wang, Liduo","Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials","Chemistry of Materials","2014","26","12","3693","","10.1021/cm5011604","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002024","9.20688","0.00009","9.10175","0.00009","13.7119","0.00016","90","","90","","90","","1149.04","0.02","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","orthorhombic lithium cobalt sulfate","orthorhombic lithium cobalt sulfate","","- Co Li2 O8 S2 -","- Co Li2 O8 S2 -","- Co8 Li16 O64 S16 -","8","1","","Lander, Laura; Reynaud, Marine; Rousse, Gwenaëlle; Sougrati, Moulay T.; Laberty-Robert, Christel; Messinger, Robert J.; Deschamps, Michaël; Tarascon, Jean-Marie","Synthesis and Electrochemical Performance of the Orthorhombic Li2Fe(SO4)2Polymorph for Li-Ion Batteries","Chemistry of Materials","2014","26","14","4178","","10.1021/cm5012845","powder diffraction","","1.78901","CoKα","","","","","","","","","1.9868","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002171","8.2365","0.0003","12.1468","0.0005","24.7923","0.0011","90","","90","","90","","2480.4","0.18","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B2 Mg O16 -","- C14 H36 B2 Mg O16 -","- C56 H144 B8 Mg4 O64 -","4","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0481","0.0362","","0.0874","0.0821","0.0874","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002667","9.1111","0.0003","8.6338","0.0003","28.408","0.001","90","","90","","90","","2234.67","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0183","0.0173","","","0.0428","0.0435","","","","","","1.18","","","","has coordinates","184455","2020-10-21","18:00:00",""
"4002874","8.4218","0.0012","8.9253","0.0013","26.11","0.004","90","","90","","90","","1962.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 H24 I4 N2 Sn -","- C32 H96 I16 N8 Sn4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0722","0.0652","","","0.1372","0.1393","","","","","","1.392","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002917","16.5896","0.0004","6.1155","0.0001","18.1992","0.0004","90","","90","","90","","1846.38","0.07","299.78","0.1","299.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-dibromo-5.6-dicyanobenzoquinone","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0302","0.0262","","","0.0655","0.0684","","","","","","1.0456","","","","has coordinates","223182","2020-10-21","18:00:00",""
"4002969","14.5203","0.0004","5.27442","0.00015","15.8554","0.0004","90","","90","","90","","1214.3","0.06","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C48 H40 S8 Se8 -","4","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0692","0.0586","","","0.1527","0.1605","","","","","","1.032","","","","has coordinates","220393","2020-10-21","18:00:00",""
"4003044","16.813","0.003","7.4763","0.0015","31.999","0.006","90","","90","","90","","4022.2","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C200 H176 N16 O16 -","8","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1006","0.0519","","","0.1192","0.1495","","","","","","1.091","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4003238","20.1106","0.0017","7.3879","0.0006","24.51","0.002","90","","90","","90","","3641.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urorosein Sulfate Acetate","3H-indol-1-ium-3-ylmethylene-3H-indol-1-ium","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C152 H144 N16 O48 S8 -","8","1","","Hall, Victoria M.; Cox, Kristin A.; Sours, Ryan E.; Swift, Jennifer A.","Urochrome Pigment in Uric Acid Crystals","Chemistry of Materials","2016","28","11","3862","","10.1021/acs.chemmater.6b00977","","","0.41328","synchrotron","","0.0965","0.0479","","","0.092","0.1088","","","","","","1.035","","","","has coordinates","231454","2020-10-21","18:00:00",""
"4003281","9.246","0.003","10.857","0.003","60.062","0.016","90","","90","","90","","6029","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(2-methyl-5-(4-(phenylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C35 H25 F6 N O2 S2 -","- C35 H25 F6 N O2 S2 -","- C280 H200 F48 N8 O16 S16 -","8","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.1074","0.0942","","","0.2454","0.2616","","","","","","1.014","","","","has coordinates,has disorder","231486","2020-10-21","18:00:00",""
"4003287","23.9625","0.0004","12.8754","0.0002","12.4685","0.0003","90","","90","","90","","3846.87","0.13","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H19 N O -","- C28 H19 N O -","- C224 H152 N8 O8 -","8","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.0753","0.0513","","","0.1428","0.1577","","","","","","1.074","","","","has coordinates","231491","2020-10-21","18:00:00",""
"4003315","9.1561","0.0005","8.6894","0.0003","28.7762","0.0015","90","","90","0.004","90","","2289.46","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0727","0.0575","","","0.1308","0.1398","","","","","","1.099","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003316","9.0944","0.0004","8.6613","0.0006","28.764","0.0013","90","","90","","90","","2265.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Sn -","- C14 H20 I4 N2 Sn -","- C56 H80 I16 N8 Sn4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0469","0.0354","","","0.0852","0.0894","","","","","","1.089","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003333","14.739","0.0009","20.9507","0.001","23.2253","0.0013","90","","90","","90","","7171.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H44 N2 O24 P2 Ti6 -","- C54 H86 N2 O24 P2 Ti6 -","- C216 H344 N8 O96 P8 Ti24 -","4","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0745","0.0599","","","0.1583","0.1706","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003366","18.3561","0.001","8.5392","0.0005","19.8563","0.0011","90","","90","","90","","3112.4","0.3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cle106b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.047","0.0332","","","0.0581","0.0618","","","","","","1.08","","","","has coordinates","231540","2020-10-21","18:00:00",""
"4003368","17.3155","0.0006","8.2244","0.0003","18.4056","0.0006","90","","90","","90","","2621.13","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLE30","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0338","0.0267","","","0.0558","0.0589","","","","","","1.057","","","","has coordinates,has disorder","231542","2020-10-21","18:00:00",""
"4003369","18.3568","0.0004","8.7037","0.0002","19.648","0.0004","90","","90","","90","","3139.2","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF5b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0438","0.0315","","","0.0673","0.0739","","","","","","1.032","","","","has coordinates","231543","2020-10-21","18:00:00",""
"4003370","16.7592","0.0013","7.875","0.0005","18.4791","0.0015","90","","90","","90","","2438.8","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF24a","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C48 H80 Cl32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.05","0.0288","","","0.0512","0.0576","","","","","","1.045","","","","has coordinates","231544","2020-10-21","18:00:00",""
"4003373","17.3765","0.0003","8.2397","0.0001","18.7056","0.0004","90","","90","","90","","2678.21","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF35","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0458","0.0288","","","0.0563","0.0626","","","","","","1.038","","","","has coordinates","231547","2020-10-21","18:00:00",""
"4003443","18.702","0.002","17.0024","0.0018","10.8512","0.0007","90","","90","","90","","3450.5","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Br Cd N4 S3 -","- C10 H17 Br Cd N4 S3 -","- C80 H136 Br8 Cd8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.101","0.0698","","","0.1638","0.1793","","","","","","1.044","","","","has coordinates","245093","2020-10-21","18:00:00",""
"4003444","17.8302","0.0005","17.2839","0.0006","10.7115","0.0003","90","","90","","90","","3301.02","0.17","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd F N4 S3 -","- C10 H17 Cd F N4 S3 -","- C80 H136 Cd8 F8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.0271","0.0238","","","0.1025","0.1125","","","","","","1.018","","","","has coordinates","245094","2020-10-21","18:00:00",""
"4003447","18.4818","0.0012","17.0544","0.0011","10.8438","0.0003","90","","90","","90","","3417.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd Cl N4 S3 -","- C10 H17 Cd Cl N4 S3 -","- C80 H136 Cd8 Cl8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.1011","0.0613","","","0.1785","0.2087","","","","","","1.042","","","","has coordinates","245097","2020-10-21","18:00:00",""
"4003453","19.86","0.005","7.617","0.0018","25.334","0.006","90","","90","","90","","3832.4","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0613","0.0412","","","0.094","0.1026","","","","","","1.063","","","","has coordinates","246479","2020-10-21","18:00:00",""
"4003454","19.991","0.007","7.549","0.003","25.31","0.009","90","","90","","90","","3820","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H15 N3 O2 Pt -","- C26 H15 N3 O2 Pt -","- C208 H120 N24 O16 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0444","0.03","","","0.0726","0.0769","","","","","","1.026","","","","has coordinates","246480","2020-10-21","18:00:00",""
"4003455","17.8692","0.0008","7.5528","0.0004","28.1923","0.0015","90","","90","","90","","3804.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0298","0.0236","","","0.0557","0.0582","","","","","","1.05","","","","has coordinates","246481","2020-10-21","18:00:00",""
"4003478","16.9559","0.0016","28.654","0.002","31.215","0.002","90","","90","","90","","15166","2","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 F56 Fe8 O32 -","- C32 F56 Fe8 O32 -","- C256 F448 Fe64 O256 -","8","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54178","CuKα","","0.1869","0.1669","","","0.4568","0.4732","","","","","","2.098","","","","has coordinates,has disorder","248089","2020-10-21","18:00:00",""
"4003481","12.2381","0.0019","12.0569","0.0016","22.007","0.003","90","","90","","90","","3247.2","0.8","423","","423","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 B11 Cl6 Na -","- C H6 B11 Cl6 Na -","- C8 H48 B88 Cl48 Na8 -","8","1","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.0826","","","","","","","","has coordinates","248132","2020-10-21","18:00:00",""
"4003503","20.3104","0.0009","15.1875","0.0007","24.1736","0.0012","90","","90","","90","","7456.7","0.6","60","2","59.97","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.025","0.022","","","0.0406","0.0412","","","","","","1.288","","","","has coordinates","249620","2020-10-21","18:00:00",""
"4003506","20.314","0.003","15.056","0.0014","24.098","0.003","90","","90","","90","","7370.3","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1175","0.0737","","","0.1817","0.2101","","","","","","1.056","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003507","19.717","0.003","14.242","0.0014","23.529","0.003","90","","90","","90","","6607.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1256","0.0716","","","0.137","0.1542","","","","","","1.11","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003508","19.602","0.003","14.0363","0.0014","23.14","0.003","90","","90","","90","","6366.7","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1754","0.1153","","","0.2866","0.382","","","","","","1.438","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003509","19.431","0.011","13.831","0.003","22.9","0.014","90","","90","","90","","6154","5","299","2","299.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.241","0.1513","","","0.3951","0.5534","","","","","","0.928","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003513","20.4236","0.0007","15.4026","0.0006","24.2096","0.0008","90","","90","","90","","7615.8","0.5","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(terpy)2]","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1049","0.0511","","","0.0891","0.1086","","","","","","1.06","","","","has coordinates","249627","2020-10-21","18:00:00",""
"4003514","20.3703","0.0003","15.2991","0.0002","24.2579","0.0003","90","","90","","90","","7559.91","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0349","0.0235","","","0.0462","0.0479","","","","","","1.045","","","","has coordinates","249628","2020-10-21","18:00:00",""
"4003576","20.1068","0.0004","15.3349","0.0003","8.93802","0.00016","90","","90","","90","","2755.91","0.09","171","","171","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O S2 -","- C13 H16 N2 O S2 -","- C104 H128 N16 O8 S16 -","8","1","","Zheng, Yu; Ashizawa, Minoru; Zhang, Song; Kang, Jiheong; Nikzad, Shayla; Yu, Zhiao; Ochiai, Yuto; Wu, Hung-Chin; Tran, Helen; Mun, Jaewan; Zheng, Yu-Qing; Tok, Jeffrey B.-H.; Gu, Xiaodan; Bao, Zhenan","Tuning the Mechanical Properties of a Polymer Semiconductor by Modulating Hydrogen Bonding Interactions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01437","","","1.54187","CuKα","","0.0883","0.0798","","","0.2435","0.2585","","","","","","1.104","","","","has coordinates,has disorder","253177","2020-10-21","18:00:00",""
"4003579","9.9588","0.0003","9.777","0.0003","14.1456","0.0004","90","","90","","90","","1377.32","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","catena-(bis(m2-1,2,4-triazolato)-zinc)","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C32 H32 N48 Zn8 -","8","1","","Darby, James P.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Marrett, Joseph M.; Friščić, Tomislav; Morris, Andrew J.","Ab Initio Prediction of Metal-Organic Framework Structures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01737","powder diffraction","","1.5418","CuKα","","","","","","","","","0.032","2.807","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003964","8.1835","0.0007","17.1315","0.0015","20.45","0.0018","90","","90","","90","","2867","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Cl2 Co N6 -","- C6 H24 Cl2 Co N6 -","- C48 H192 Cl16 Co8 N48 -","8","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.0314","0.0228","","","0.0531","0.0557","","","","","","1","","","","has coordinates","266785","2021-06-29","22:36:48",""
"4003996","8.0054","0.0004","11.1571","0.0008","16.1757","0.0008","90","","90","","90","","1444.77","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N2 O3 S -","- C4 H8 N2 O3 S -","- C32 H64 N16 O24 S8 -","8","1","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.056","0.0426","","","0.1119","0.1229","","","","","","1.021","","","","has coordinates","267464","2021-07-11","22:16:22",""
"4004060","11.7848","0.0002","11.8754","0.0002","23.334","0.0005","90","","90","","90","","3265.57","0.1","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C64 H160 Cl40 N16 Sb8 -","8","1","","Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo","Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield","Chemistry of Materials","2022","34","2","537","546","10.1021/acs.chemmater.1c02725","","","0.71073","MoKα","","0.0487","0.0458","","","0.0926","0.0938","","","","","","1.309","","","","has coordinates","272494","2022-02-03","22:54:03",""
"4004063","10.906","0.003","5.7031","0.0019","15.132","0.004","90","","90","","90","","941.2","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C1.14 H1.43 N0.86 -","- C1.14286 H1.42857 N0.857143 -","- C32 H40 N24 -","28","3.5","","Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming","Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−","Chemistry of Materials","2022","34","4","1976","1984","10.1021/acs.chemmater.2c00002","","","0.71073","MoKα","","0.0747","0.0505","","","0.1085","0.1193","","","","","","1.107","","","","has coordinates","273277","2022-03-03","22:42:22",""
"4020012","19.3269","0.0009","13.4544","0.0007","19.8413","0.0009","90","","90","","90","","5159.4","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 O2 -","- C32 H33.33 N2 O2 -","- C256 H266.64 N16 O16 -","8","1","","Shoji, Mitsuru; Imai, Hiroki; Mukaida, Makoto; Sakai, Ken; Kakeya, Hideaki; Osada, Hiroyuki; Ayashi, Yujiro","The Total Synthesis of Epoxyquinols A, B, C and RKB-3564D and the Reactivity of a 2H-Pyran Derivative as the Diene Component in the Diels-Alder Reaction","Journal of Organic Chemistry","2005","70","","79","91","10.1021/jo048425h","","","0.71073","MoKα","","0.08","0.0647","","","0.1339","0.1407","","","","","","1.204","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020028","14.1821","0.0004","11.6288","0.0004","14.4777","0.0004","90","","90","","90","","2387.67","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C104 H144 Cl8 N8 O8 -","8","1","","Albert Padwa; Paitoon Rashatasakhon; Ayse Daut Ozdemir; Jerremey Willis","","Journal of Organic Chemistry","2005","70","","519","528","10.1021/jo048314i","","","1.54178","CuKα","","0.0514","0.0463","","","0.1156","0.1181","","","","","","1.215","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020032","12.26","0.003","7.9032","0.0016","23.177","0.005","90","","90","","90","","2245.7","0.9","84","2","84","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","methylphenylthioether","","","- C12 H16 S2 -","- C12 H16 S2 -","- C96 H128 S16 -","8","1","","Reginald H. Mitchell; Rachel Blunden; Gavin Hollett; Subhajit Bandyopadhyay; Richard Vaughan Williams; Brendan Twamley","","Journal of Organic Chemistry","2005","70","","675","680","10.1021/jo0484272","","","0.71073","MoKα","","0.0794","0.0504","","","0.1146","0.1291","","","","","","1.087","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020056","7.3819","0.0002","16.9618","0.0007","22.3703","0.0008","90","","90","","90","","2800.99","0.17","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C112 H96 N16 O48 -","8","1","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0679","0.0435","","","0.1021","0.1159","","","","","","1.02","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020063","10.814","0.0001","13.7985","0.0002","23.5044","0.0003","90","","90","","90","","3507.26","0.07","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C152 H160 O56 -","8","1","","Craig I. Turner; Michael N. Paddon-Row; Anthony C. Willis; Michael S. Sherburn","","Journal of Organic Chemistry","2005","70","","1154","1163","10.1021/jo048108a","","","0.71073","MoKα","","0.0392","0.0339","","0.0451","0.041","0.041","","","","","","1.0803","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020090","9.2462","0.0006","8.8456","0.0006","32.222","0.002","90","","90","","90","","2635.3","0.3","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6,11-dicyclopropylpyrido[2,3-e]Bis[1,2,4]triazolo[4,3-a:3',4'-c]pyrazine","","- C15 H13 N7 -","- C15 H13 N7 -","- C120 H104 N56 -","8","1","","Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.","","Journal of Organic Chemistry","2005","70","","2878","2880","10.1021/jo0478398","","","0.71073","MoKα","","0.0726","0.0569","","","0.1302","0.1383","","","","","","1.136","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020152","12.3045","0.0006","15.9117","0.0007","24.1391","0.0012","90","","90","","90","","4726.1","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B2 F6 N2 -","- C20 H38 B2 F6 N2 -","- C160 H304 B16 F48 N16 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0651","0.0405","","","0.0876","0.0982","","","","","","1.009","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020156","10.6045","0.001","11.0631","0.001","19.7482","0.0019","90","","90","","90","","2316.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H19 B F3 N -","- C10 H19 B F3 N -","- C80 H152 B8 F24 N8 -","8","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0536","0.0419","","","0.0992","0.105","","","","","","1.118","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020180","14.2335","0.0003","7.2938","0.0007","18.4191","0.0009","90","","90","","90","","1912.2","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","0.5","","Man-kit Leung; M. Balaji Viswanath; Pi-Tai Chou; Shih-Chieh Pu; Hsin-Chieh Lin; Bih-Yaw Jin","","Journal of Organic Chemistry","2005","70","","3560","3568","10.1021/jo047802n","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020185","8.2975","0.0007","11.5995","0.0011","21.6279","0.0019","90","","90","","90","","2081.6","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 As F8 O2 -","- C7 H5 As F8 O2 -","- C56 H40 As8 F64 O16 -","8","1","","S. V. Lindeman; I. S. Neretin; M. G. Davlieva; J. K. Kochi","","Journal of Organic Chemistry","2005","70","","3263","3266","10.1021/jo047847o","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020313","8.784","0.0007","15.4247","0.0012","30.289","0.002","90","","90","","90","","4103.9","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl Cu N2 -","- C21 H26 Cl Cu N2 -","- C168 H208 Cl8 Cu8 N16 -","8","1","","Silvia Díez-González; Harneet Kaur; Fabiano Kauer Zinn; Edwin D. Stevens; Steven P. Nolan","","Journal of Organic Chemistry","2005","70","","4784","4796","10.1021/jo050397v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020363","21.844","0.009","9.342","0.004","24.778","0.01","90","","90","","90","","5057","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","James R. Davies; Peter D. Kane; Christopher J. Moody; Alexandra M. Z. Slawin","","Journal of Organic Chemistry","2005","70","","5840","5851","10.1021/jo050303h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020368","16.4812","0.0011","12.3362","0.0007","17.855","0.0016","90","","90","","90","","3630.2","0.5","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H29 Br N4 -","- C19 H29 Br N4 -","- C152 H232 Br8 N32 -","8","1","","Frédéric Boschetti; Franck Denat; Enrique Espinosa; Alain Tabard; Yves Dory; Roger Guilard","Regioselective N-functionalization of tetraazacycloalkanes.","Journal of Organic Chemistry","2005","70","","7042","7053","10.1021/jo050306u","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020407","7.3216","0.0013","21.448","0.004","28.651","0.005","90","","90","","90","","4499.2","1.4","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H18 N6 S2 -","- C25 H18 N6 S2 -","- C200 H144 N48 S16 -","8","1","","Alan R. Katritzky; Rachel M. Witek; Valerie Rodríguez García; Prabhu P. Mohapatra; James W. Rogers; Janet Cusido; Ashraf A. A. Abdel-Fattah; Peter J. Steel","Benzotriazole-Assisted Thioacylation","Journal of Organic Chemistry","2005","70","","7866","7881","10.1021/jo050670t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020427","8.201","0.0002","12.235","0.0003","35.164","0.0011","90","","90","","90","","3528.33","0.16","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N6 O4 S2 -","- C15 H18 N6 O4 S2 -","- C120 H144 N48 O32 S16 -","8","1","","Regis Leung-Toung; Tim F. Tam; Yanqing Zhao; Craig D. Simpson; Wanren Li; Denis Desilets; Khashayar Karimian","","Journal of Organic Chemistry","2005","70","","6230","6241","10.1021/jo0507486","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020489","20.49","0.01","21.137","0.006","11.439","0.003","90","","90","","90","","4953","3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 O P -","- C30 H27 O P -","- C240 H216 O8 P8 -","8","1","","Kimihiro Komeyama; Tomonori Kawabata; Katsuomi Takehira; Ken Takaki","Rare-Earth Silylamide-Catalyzed Selective Dimerization of Terminal Alkynes and Subsequent Hydrophosphination in One Pot","Journal of Organic Chemistry","2005","70","","7260","7266","10.1021/jo0509206","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020509","17.464","0.0011","12.6256","0.0008","22.5394","0.0014","90","","90","","90","","4969.8","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cl I O -","- C30 H22 Cl I O -","- C240 H176 Cl8 I8 O8 -","8","1","","Yuanhong Liu; Feijie Song; Liqing Cong","A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans","Journal of Organic Chemistry","2005","70","","6999","7002","10.1021/jo050966z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020579","13.5422","0.0014","28.132","0.003","31.458","0.003","90","","90","","90","","11985","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H42 O15 S5 -","- C56 H38 O15 S5 -","- C448 H304 O120 S40 -","8","1","","Jarugu Narasimha Moorthy; Ramalingam Natarajan; Paloth Venugopalan","Three-Dimensional Four-Connecting Organic Scaffolds with a Twist: Synthesis and Self-Assembly","Journal of Organic Chemistry","2005","70","","8568","8571","10.1021/jo051205z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020592","6.4768","0.0006","15.168","0.002","13.6745","0.0014","90","","90","","90","","1343.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 O2 Se -","- C7 H6 O2 Se -","- C56 H48 O16 Se8 -","8","1","","Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher","o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity","Journal of Organic Chemistry","2005","70","","9237","9247","10.1021/jo051309+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020631","18.7318","0.0004","9.9214","0.0002","23.582","0.0005","90","","90","","90","","4382.61","0.16","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H19 F2 N3 O2 S -","- C25 H19 F2 N3 O2 S -","- C200 H152 F16 N24 O16 S8 -","8","1","","Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong","Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine","Journal of Organic Chemistry","2005","70","","9377","9381","10.1021/jo051453v","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020782","18.3151","0.0007","16.306","0.0007","19.7968","0.0008","90","","90","","90","","5912.2","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C240 H224 Br32 O48 -","16","2","","Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud","Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions","Journal of Organic Chemistry","2004","69","","406","416","10.1021/jo035240m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020792","13.392","0.002","10.953","0.001","28.412","0.002","89","","89","","90","","4167.2","0.8","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C224 H208 O16 -","8","1","","Naoki Kise; Yasuo Kitagishi; Nasuo Ueda","Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction","Journal of Organic Chemistry","2004","69","","959","963","10.1021/jo035280q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020794","8.4301","0.0006","11.752","0.0009","21.968","0.0017","90","","90","","90","","2176.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C72 H120 I8 O16 -","8","1","","Francesca Peri; Enrico Binassi; Antonio Manetto; Emanuela Marotta; Andrea Mazzanti; Paolo Righi; Noemi Scardovi; Goffredo Rosini","Preparation of Bicyclo[3.2.0]heptane-2-endo,7-endo-diols: 1,3-Diols with a Chiral Rigid Backbone","Journal of Organic Chemistry","2004","69","","1353","1356","10.1021/jo035324v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020928","9.5766","0.0002","9.0725","0.0002","16.959","0.0003","90","","90","","90","","1473.46","0.05","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2(3)","","","- C14 H12 S4 -","- C14 H12 S4 -","- C56 H48 S16 -","4","0.5","","Daniel B. Werz; Rolf Gleiter; Frank Rominger","Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization","Journal of Organic Chemistry","2004","69","","2945","2952","10.1021/jo035882+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020972","20.78","0.01","11.496","0.004","8.242","0.002","89","","89","","90","","1968","1","198.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O S -","- C12 H10 O S -","- C96 H80 O8 S8 -","8","1","","Yuichi Sawada; Akira Oku","Carbon-Carbon Bond-Forming Reaction of Cyclic Sulfonium Ylides Stabilized by a Carbonyl Group","Journal of Organic Chemistry","2004","69","","2899","2901","10.1021/jo0498009","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020982","8.425","0.005","13.235","0.005","23.159","0.005","90","","90","","90","","2582.3","1.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,11,20,29-tetraoxa[3.3.3.3]paracyclophane","","","- C32 H32 O4 -","- C32 H32 O4 -","- C128 H128 O16 -","4","0.5","","Paolo Sarri; Francesca Venturi; Francesco Cuda; Stefano Roelens","Binding of Acetylcholine and Tetramethylammonium to Flexible Cyclophane Receptors: Improving on Binding Ability by Optimizing Host's Geometry","Journal of Organic Chemistry","2004","69","","3654","3661","10.1021/jo049899j","","","","","","","","","","","","","","","","","","","","","has coordinates","171653","2020-10-21","18:00:00",""
"4020996","11.4912","0.0005","16.0724","0.0007","30.9077","0.0014","90","","90","","90","","5708.4","0.4","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C296 H240 N32 -","8","1","","Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao","Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes","Journal of Organic Chemistry","2004","69","","3517","3525","10.1021/jo049902z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021064","11.075","0.001","18.989","0.003","23.195","0.002","90","","90","","90","","4878","1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C39 H48 O12 -","- C52 H64 O16 -","- C208 H256 O64 -","4","0.5","","Denis Deffieux; Isabelle Fabre; Alexander Titz; Jean-Michel Léger; Stéphane Quideau","Electrochemical Synthesis of Dimerizing and Nondimerizing Orthoquinone Monoketals","Journal of Organic Chemistry","2004","69","","8731","8738","10.1021/jo048677i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021094","11.7266","0.0002","14.6049","0.0002","28.9655","0.0004","90","","90","","90","","4960.8","0.13","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C240 H304 O32 -","8","1","","Sharanjeet K. Bagal; Robert M. Adlington; Jack E. Baldwin; Rodolfo Marquez","Dimerization of Butenolide Structures. A Biomimetic Approach to the Dimeric Sesquiterpene Lactones (±)-Biatractylolide and (±)-Biepiasterolide","Journal of Organic Chemistry","2004","69","","9100","9108","10.1021/jo0488053","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021114","9.6168","0.0005","11.2035","0.0006","38.984","0.002","90","","90","","90","","4200.3","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 Si -","- C25 H20 N2 Si -","- C200 H160 N16 Si8 -","8","1","","Ken-Tsung Wong; Fu-Chuan Fang; Yi-Ming Cheng; Pi-Tai Chou; Gene-Hsiang Lee; Yu Wang","A New Series of Pyrimidine-Containing Linear Molecules: Their Elegant Crystal Structures and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","8038","8044","10.1021/jo048914h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021150","11.8392","0.001","13.5708","0.0012","19.6855","0.0017","90","","90","","90","","3162.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C128 H152 N8 O32 S8 -","8","1","","Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh","Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes","Journal of Organic Chemistry","2004","69","","6697","6705","10.1021/jo049072p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021156","9.0501","0.0009","10.546","0.0011","31.943","0.003","90","","90","","90","","3048.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O2 Si2 -","- C14 H18 O2 Si2 -","- C112 H144 O16 Si16 -","8","1","","Ya-Li Chen; Jiang-Qin Sun; Xin Wei; Wai-Yeung Wong; Albert W. M. Lee","Generation of Synthetic Equivalents of Benzdiynes from Benzobisoxadisiloles","Journal of Organic Chemistry","2004","69","","7190","7197","10.1021/jo049091z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021194","10.0094","0.0002","13.2628","0.0003","35.0466","0.0005","90.009","0.001","90.011","0.001","89.986","0.001","4652.5","0.1","293.2","","293.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 F N2 O4 S -","- C24 H27 F N2 O4 S -","- C192 H216 F8 N16 O32 S8 -","8","1","","Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa","Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors","Journal of Organic Chemistry","2004","69","","7058","7065","10.1021/jo049264k","","","","","","","0.0448","","","0.047","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021199","20.9249","0.0013","9.3581","0.0006","26.1944","0.0016","90","","90","","90","","5129.3","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 I N2 O3 -","- C25 H27 Cl2 I N2 O3 -","- C200 H216 Cl16 I8 N16 O24 -","8","1","","Shengming Ma; Bukuo Ni; Zhiqiang Liang","Highly Selective Synthesis of Bicyclic Quinolizidine Alkaloids and Their Analogues via Double RCM Reaction of N-Alkynyl-N-(1,ω)-alkadienyl Acrylamides","Journal of Organic Chemistry","2004","69","","6305","6309","10.1021/jo0493121","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021246","25.1927","0.0007","12.5759","0.0004","30.9084","0.0009","90","","90","","90","","9792.4","0.5","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H63 Cl2 I O4 -","- C52 H63 Cl2 I O4 -","- C416 H504 Cl16 I8 O32 -","8","1","","Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza","Multinuclear Calixarene Synthons with Covalently Linked Aryl-Palladium(II) Complexes","Journal of Organic Chemistry","2004","69","","6394","6403","10.1021/jo0494782","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021322","14.98","0.002","12.115","0.002","24.997","0.004","90","","90","","90","","4536.5","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 Cl2 N O4 -","- C26 H17 Cl2 N O4 -","- C208 H136 Cl16 N8 O32 -","8","1","","Chong-Dao Lu; Zhi-Yong Chen; Hui Liu; Wen-Hao Hu; Ai-Qiao Mi; Michael P. Doyle","A Facile Three-Component One-Pot Synthesis of Structurally Constrained Tetrahydrofurans That Are t-RNA Synthetase Inhibitor Analogues","Journal of Organic Chemistry","2004","69","","4856","4859","10.1021/jo0497508","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021325","12.3717","0.0011","7.772","0.0007","32.821","0.003","90","","90","","90","","3155.8","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C136 H192 O24 -","8","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021373","12.0701","0.0009","13.9385","0.0011","21.0391","0.0016","90","","90","","90","","3539.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 B2 F8 N2 O2 -","- C14 H18 B2 F8 N2 O2 -","- C112 H144 B16 F64 N16 O16 -","8","1","","Dong Zhang; Eric J. Dufek; Edward L. Clennan","Syntheses, Characterizations, and Properties of Electronically Perturbed 1,1'-Dimethyl-2,2'-bipyridinium Tetrafluoroborates","Journal of Organic Chemistry","2006","71","","315","319","10.1021/jo052127i","","","0.71073","MoKα","","0.0747","0.0448","","","0.108","0.1233","","","","","","1.068","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021375","25.7376","0.0004","11.1794","0.0002","37.1441","0.0006","90","","90","","90","","10687.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H54 Cl3 N5 O3 -","- C63 H54 Cl3 N5 O3 -","- C504 H432 Cl24 N40 O24 -","8","1","","Ken-Tsung Wong; Sung-Yu Ku; Yi-Ming Cheng; Xiauo-Yun Lin; Ying-Yueh Hung; Shih-Chieh Pu; Pi-Tai Chou; Gene-Hsiang Lee; Shie-Ming Peng","Synthesis, Structures, and Photoinduced Electron Transfer Reaction in the 9,9'-Spirobifluorene-Bridged Bipolar Systems","Journal of Organic Chemistry","2006","71","","456","465","10.1021/jo0512047","","","0.71073","MoKα","","0.1212","0.0846","","","0.2534","0.2739","","","","","","1.105","","","","has coordinates,has disorder","178391","2020-10-21","18:00:00",""
"4021445","8.09","0.001","15.095","0.002","26.844","0.004","90","","90","","90","","3278.2","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(2-pyren-1-yl-vinyl)benzonitrile","","- C25 H15 N -","- C25 H15 N -","- C200 H120 N8 -","8","1","","Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy","Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State","Journal of Organic Chemistry","2006","71","","1055","1059","10.1021/jo0520644","","","0.71073","MoKα","","0.0666","0.0457","","","0.1058","0.1163","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021465","9.9999","0.0004","7.6682","0.0003","14.1917","0.0005","90","","90","","90","","1088.24","0.07","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","C3H7N5","","","- C3 H7 N5 -","- C3 H7 N5 -","- C24 H56 N40 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0861","0.0522","","","0.1282","0.1477","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021467","5.9553","0.0004","13.2837","0.001","17.4438","0.0015","90","","90","","90","","1379.95","0.18","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O2 -","- C3 H6 N6 O2 -","- C24 H48 N48 O16 -","8","1","","Konstantin Karaghiosoff; Thomas M. Klapötke; Peter Mayer; Holger Piotrowski; Kurt Polborn; Rodney L. Willer; Jan J. Weigand","N-Nitroso- and N-Nitraminotetrazoles","Journal of Organic Chemistry","2006","71","","1295","1305","10.1021/jo0513820","","","0.71073","MoKα","","0.0735","0.0411","","","0.0862","0.0943","","","","","","0.878","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021479","15.645","0.005","15.428","0.002","11.384","0.003","90","","90","","90","","2747","1","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 N O -","- C15 H19 N O -","- C120 H152 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0528","","","","0.0561","","","","","","1.478","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021481","16.852","0.005","18.09","0.005","9.068","0.003","90","","90","","90","","2764","2","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O -","- C16 H21 N O -","- C128 H168 N8 O8 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0513","","","","0.0579","","","","","","1.484","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021487","19.047","0.004","16.454","0.004","12.525","0.004","90","","90","","90","","3925","3","294.2","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0888","","","","0.1193","","","","","","2.168","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021524","15.656","0.004","19.673","0.005","19.736","0.005","90","","90","","90","","6079","3","296","2","296","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","trnas-aziridino-epoxide","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C240 H304 N16 O48 S16 -","16","2","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.1403","0.1021","","","0.1937","0.2064","","","","","","1.274","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021581","11.822","0.004","10.17","0.003","20.703","0.004","90","","90","","90","","2489.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C112 H88 N8 O48 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54178","CuKα","","0.0672","0.0541","","","0.1484","0.1586","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021583","19.1965","0.0008","19.6566","0.0008","28.9209","0.0011","90","","90","","90","","10913","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H72 O15 -","- C52 H72 O15 -","- C416 H576 O120 -","8","1","","David A. Henderson; Philip N. Collier; Gregoire Pavé; Paula Rzepa; Andrew J. P. White; Jeremy N. Burrows; Anthony G. M. Barrett","Studies on the Total Synthesis of Lactonamycin: Construction of Model ABCD Ring Systems","Journal of Organic Chemistry","2006","71","","2434","2444","10.1021/jo052637c","","","1.54248","CuKα","","0.1291","0.1078","","","0.2116","0.2221","","","","","","1.453","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021602","17.01","0.02","8.178","0.008","21.42","0.02","90","","90","","90","","2980","5","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C152 H152 N24 O16 -","8","1","","Kazuhiro Igarashi; Yohei Yamaguchi; Yuhki Mitsumoto; Shin-ichi Naya; Makoto Nitta","Synthesis, Properties, and NAD^+^-NADH-Type Redox Ability of 14-Substituted 1,3-Dimethyl-5,10-methanocycloundeca[4,5]pyrrolo [2,3-d]pyrimidine-2,4(1,3H)-dionylium Tetrafluoroborates and Their Hydride Adducts","Journal of Organic Chemistry","2006","71","","2690","2698","10.1021/jo052495m","","","0.7107","MoKα","","","0.038","","","","0.045","","","","","","1.018","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021604","7.6871","0.0003","16.3111","0.0006","18.5766","0.0009","90","","90","","90","","2329.23","0.17","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 S2 -","- C11 H18 O2 S2 -","- C88 H144 O16 S16 -","8","1","","Helen F. Sneddon; Alexandra van den Heuvel; Anna K. H. Hirsch; Richard A. Booth; David M. Shaw; Matthew J. Gaunt; Steven V. Ley","Double Conjugate Addition of Dithiols to Propargylic Carbonyl Systems To Generate Protected 1,3-Dicarbonyl Compounds","Journal of Organic Chemistry","2006","71","","2715","2725","10.1021/jo052514s","","","0.71073","MoKα","","0.0616","0.0446","","","0.0988","0.1069","","","","","","1.054","","","","has coordinates,has disorder","178394","2020-10-21","18:00:00",""
"4021628","13.345","0.003","8.431","0.004","41.094","0.004","90","","90","","90","","4624","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N4 O4 -","- C23 H25 B F2 N4 O4 -","- C184 H200 B8 F16 N32 O32 -","8","1","","Raymond Ziessel; Laure Bonardi; Pascal Retailleau; Gilles Ulrich","Isocyanate-, Isothiocyanate-, Urea-, and Thiourea-Substituted Boron Dipyrromethene Dyes as Fluorescent Probes","Journal of Organic Chemistry","2006","71","","3093","3102","10.1021/jo0600151","","x-ray","1.5418","Cukα","","0.076","0.051","","","0.1363","0.1529","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021665","9.7558","0.0009","9.0365","0.0009","26.814","0.003","90","","90","","90","","2363.8","0.4","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C128 H112 N16 -","8","1","","Norio Sakai; Kimiyoshi Annaka; Takeo Konakahara","Direct Synthesis of Polysubstituted Quinoline Derivatives by InBr~3~-Promoted Dimerization of 2-Ethynylaniline Derivatives","Journal of Organic Chemistry","2006","71","","3653","3655","10.1021/jo060245f","","","0.71073","MoKα","","0.0623","0.0526","","","0.1422","0.1714","","","","","","1.146","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021769","8.2284","0.0005","14.6764","0.0009","21.4924","0.0013","90","","90","","90","","2595.5","0.3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O S -","- C14 H17 N O S -","- C112 H136 N8 O8 S8 -","8","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0371","0.0308","","","0.08","0.0851","","","","","","1.048","","","","has coordinates","178395","2020-10-21","18:00:00",""
"4021820","24.671","0.004","14.074","0.004","8.717","0.003","89","","89","","90","","3026","2","292.2","","292.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Se -","- C20 H14 Se -","- C160 H112 Se8 -","8","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0435","","","0.0312","","","","","1.757","1.757","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021845","5.8162","0.0001","19.9828","0.0006","21.1044","0.0006","90","","90","","90","","2452.84","0.11","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Emma L. Pearson; Laurence C. H. Kwan; Craig I. Turner; Garth A. Jones; Anthony C. Willis; Michael N. Paddon-Row; Michael S. Sherburn","Intramolecular Diels-Alder Reactions of Ester Linked 1,3,9-Decatrienes: Cis/Trans Selectivity in Thermal and Lewis Acid Promoted Reactions of Ethylene-Tethered and Benzo-Tethered Systems","Journal of Organic Chemistry","2006","71","","6099","6109","10.1021/jo0607818","","","0.71073","MoKα","","0.0644","0.0353","","0.0612","0.0389","0.0389","","","","","","1.1352","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021869","8.634","0.006","10.072","0.007","23.622","0.016","90","","90","","90","","2054","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Scott E. Denmark; Justin I. Montgomery","A General Synthesis of N-Vinyl Nitrones","Journal of Organic Chemistry","2006","71","","6211","6220","10.1021/jo060975n","","","0.71073","MoKα","","0.0506","0.0341","","","0.0804","0.0867","","","","","","1.025","","","","has coordinates,has disorder","277840","2022-09-14","18:33:59",""
"4021892","7.726","0.0019","7.977","0.002","42.958","0.011","90","","90","","90","","2647.4","1.2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H24 N2 O2 S2 -","- C34 H24 N2 O2 S2 -","- C136 H96 N8 O8 S8 -","4","0.5","","Yi Cui; Suning Wang","Diboron and Triboron Compounds Based on Linear and Star-Shaped Conjugated Ligands with 8-Hydroxyquinolate Functionality: Impact of Intermolecular Interaction and Boron Coordination on Luminescence","Journal of Organic Chemistry","2006","71","","6485","6496","10.1021/jo060841+","","","0.71073","MoKα","","0.1978","0.0674","","","0.1358","0.1657","","","","","","0.851","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021906","17.5783","0.0016","18.3011","0.0018","21.379","0.002","90","","90","","90","","6877.5","1.2","83","3","83","3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H42 Cr O6 Si -","- C37 H42 Cr O6 Si -","- C296 H336 Cr8 O48 Si8 -","8","1","","William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell","Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes","Journal of Organic Chemistry","2006","71","","6542","6546","10.1021/jo060994x","","","0.71073","MoKα","","0.0594","0.0448","","","0.109","0.1189","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021910","12.8635","0.0003","12.1962","0.0003","21.3633","0.0006","90","","90","","90","","3351.6","0.15","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","1","","Alexander Deiters; Martin Pettersson; Stephen F. Martin","General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids","Journal of Organic Chemistry","2006","71","","6547","6561","10.1021/jo061032t","","","0.71073","MoKα","","0.1075","0.0532","","","0.0942","0.1113","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021926","15.419","0.0009","7.0236","0.0004","30.8348","0.0018","90","","90","","90","","3339.3","0.3","163","2","163","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Glen Baghdasarian; K. A. Woerpel","Electrostatic Effects on the Reactions of Cyclohexanone Oxocarbenium Ions","Journal of Organic Chemistry","2006","71","","6851","6858","10.1021/jo060968z","","","0.71073","MoKα","","0.068","0.0405","","","0.0922","0.1062","","","","","","1.012","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021960","18.401","0.006","35.757","0.011","7.264","0.003","90","","90","","90","","4779","3","298","","","","","","","","","","Local laboratory","5","P b c a","-P 2ac 2ab","61","","","","- C29 H26 N O2 P -","- C29 N O2 P -","- C232 N8 O16 P8 -","8","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","1.54178","CuKα","","0.166","0.047","","0.132","0.099","0.099","","","2.514","1.61","1.61","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021999","38.89","0.01","20.452","0.005","8.701","0.003","89","","89","","90","","6919","3","300.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C336 H400 O32 -","8","1","","Tamotsu Takahashi; Shi Li; Wenying Huang; Fanzhi Kong; Kiyohiko Nakajima; Baojian Shen; Takahiro Ohe; Ken-ichiro Kanno","Homologation Method for Preparation of Substituted Pentacenes and Naphthacenes","Journal of Organic Chemistry","2006","71","","7967","7977","10.1021/jo060923y","","","1.5418","CuKα","","","0.045","","","","0.038","","","","","","1.885","","","","has coordinates","208254","2020-10-21","18:00:00",""
"4022027","12.028","0.004","12.923","0.005","16.482","0.004","90","","90","","90","","2561.8","1.4","293","","293","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","5-methyl-2-phenyl-4-(trichlorophoshoranylidene)- 2,4-dihydro-3H-pyrazol-3-one","","- C10 H8 Cl3 N2 O P -","- C10 H8 Cl3 N2 O P -","- C80 H64 Cl24 N16 O8 P8 -","8","1","","Anatoliy P. Marchenko; Georgyi N. Koidan; Aleksandr N. Kostyuk; Andrei A. Tolmachev; Evgenij G. Kapustin; Aleksandr M. Pinchuk","A Representative of P,P,P-Trihalogenylides: Synthesis and Structure","Journal of Organic Chemistry","2006","71","","8633","8636","10.1021/jo0606352","","","1.5418","CuKα","","0.1734","0.0612","","0.1308","0.0625","0.0625","","","","","","1.1512","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022060","19.223","0.002","12.311","0.0015","22.588","0.003","90","","90","","90","","5345.6","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 F2 N3 O -","- C29 H27 Cl2 F2 N3 O -","- C232 H216 Cl16 F16 N24 O8 -","8","1","","John Y. L. Chung; Raymond J. Cvetovich; Mark McLaughlin; Joseph Amato; Fuh-Rong Tsay; Mark Jensen; Steve Weissman; Daniel Zewge","Synthesis of a Naphthyridone p38 MAP Kinase Inhibitor","Journal of Organic Chemistry","2006","71","","8602","8609","10.1021/jo061618f","","","0.71073","MoKα","","0.0785","0.0489","","","0.112","0.1256","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022072","7.5969","0.0003","19.9937","0.0008","22.45","0.007","90","","90","","90","","3409.9","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N O -","- C22 H21 N O -","- C176 H168 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.095","0.036","","","0.0623","0.072","","","","","","0.842","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022074","19.541","0.003","8.2533","0.0009","20.397","0.003","90","","90","","90","","3289.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C152 H104 Cl16 N8 O8 -","8","1","","Paul R. Carlier; Yiqun Zhang; Carla Slebodnick; Michael M.-C. Lo; Ian D. Williams","Effect of 2,6-Disubstituted Aryl Groups on Acyclic Conformation: Preference for an Antiperiplanar Orientation of the Geminal and Vicinal Hydrogens","Journal of Organic Chemistry","2006","71","","8835","8841","10.1021/jo061495z","","x-ray","0.71073","MoKα","","0.058","0.055","","","0.1366","0.1392","","","","","","1.178","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022091","21.4654","0.0004","17.0244","0.0003","21.6341","0.0005","90","","90","","90","","7905.9","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H44 F6 N6 O6 S2 Zn -","- C36 H44 F6 N6 O6 S2 Zn -","- C288 H352 F48 N48 O48 S16 Zn8 -","8","1","","Woosung Kim; Soon Mog So; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereoselective Recognition of Vicinal Diamines with a Zn(II) Complex","Journal of Organic Chemistry","2006","71","","8966","8968","10.1021/jo0616815","","","0.71073","MoKα","","0.1071","0.0472","","","0.1041","0.1254","","","","","","1.014","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022106","11.123","0.003","14.73","0.004","27.784","0.007","90","","90","","90","","4552.2","1.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N2 O7 P -","- C22 H23 N2 O7 P -","- C176 H184 N16 O56 P8 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.1202","0.0866","","","0.1879","0.2064","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022169","12.3013","0.0017","25.064","0.004","30.495","0.004","90","","90","","90","","9402","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H56 N4 O11 -","- C53 H56 N4 O11 -","- C424 H448 N32 O88 -","8","1","","Alexei Ilyin; Volodymyr Kysil; Mikhail Krasavin; Irina Kurashvili; Alexandre V. Ivachtchenko","Complexity-Enhancing Acid-Promoted Rearrangement of Tricyclic Products of Tandem Ugi 4CC/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2006","71","","9544","9547","10.1021/jo061825f","","","0.71073","MoKα","","0.2863","0.0641","","","0.0746","0.0941","","","","","","0.801","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022216","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022256","18.172","0.005","12.733","0.007","10.866","0.005","90","","90","","90","","2514","2","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl3 N O3 -","- C8 H12 Cl2.996 N O3 -","- C64 H96 Cl23.968 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1593","0.0862","","","0.2246","0.2851","","","","","","1.015","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022259","14.347","0.002","17.944","0.002","11.441","0.002","90","","90","","90","","2945.4","0.5","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl3 N O3 -","- C11 H18 Cl3 N O3 -","- C88 H144 Cl24 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1425","0.0745","","0.0535","0.0501","","","","2.216","2.739","2.739","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022340","18.0619","0.0002","22.7317","0.0003","29.3777","0.0004","90","","90","","90","","12061.8","0.3","150","","150","","","","","","","","Synthesised as described.","6","P b c a","-P 2ac 2ab","61","","","","- C60 H93 N3 Ni O2 Si3 -","- C60 H93 N3 Ni O2 Si3 -","- C480 H744 N24 Ni8 O16 Si24 -","8","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","","0.0451","","","","0.0476","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022383","14.216","0.002","15.657","0.002","20.419","0.003","90","","90","","90","","4545","1.1","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 N O8 S2 -","- C18 H19 Cl2 N O8 S2 -","- C144 H152 Cl16 N8 O64 S16 -","8","1","","Henry J. Shine; Bingjun Zhao; Ding-Quan Qian; John N. Marx; Ilse Y. Guzmán-Jiménez; John H. Thurston; T. Ould-Ely; Kenton H. Whitmire","Adducts of Phenoxathiin and Thianthrene Cation Radicals with Alkenes and Cycloalkenes","Journal of Organic Chemistry","2003","68","","8910","8917","10.1021/jo030173h","","","0.71073","MoKα","","0.1565","0.1058","","","0.3031","0.3543","","","","","","1.131","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022435","9.836","","15.162","","25.822","","90","","90","","90","","3851","","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C168 H224 O56 -","8","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.5406","","","0.156","0.0834","","","0.2403","0.3119","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022437","22.957","0.004","12.498","0.002","10.851","0.002","90","","90","","90","","3113.4","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C128 H192 O24 -","8","1","","Yishu Du; Xiyan Lu","A Phosphine-Catalyzed [3+2] Cycloaddition Strategy Leading to the First Total Synthesis of (-)-Hinesol","Journal of Organic Chemistry","2003","68","","6463","6465","10.1021/jo034281f","","","0.71069","MoKα","","0.1395","0.0522","","","0.1358","0.1672","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022593","12.6177","0.0003","10.3795","0.0003","30.5808","0.0008","90","","90","","90","","4005.03","0.18","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","Compound 14","2,11-di-tert-butyltriphenylene","","- C26 H28 -","- C26 H28 -","- C208 H224 -","8","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0722","0.0546","","","0.1357","0.1423","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022595","8.6605","0.0007","10.4742","0.0009","31.79","0.003","90","","90","","90","","2883.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Compound 17","2,7-dimethoxytriphenylene","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","1","","Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari","Controlling the Scholl Reaction","Journal of Organic Chemistry","2007","72","","2279","2288","10.1021/jo061515x","","","0.71073","MoKα","","0.0482","0.0406","","","0.1132","0.1174","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022668","7.2553","0.0003","18.2486","0.0006","25.7308","0.0009","90","","90","","90","","3406.7","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Laura J. Marshall; Mark D. Roydhouse; Alexandra M. Z. Slawin; John C. Walton","Effect of Chain Length on Radical to Carbanion Cyclo-Coupling of Bromoaryl Alkyl-Linked Oxazolines: 1,3-Areneotropic Migration of Oxazolines","Journal of Organic Chemistry","2007","72","","898","911","10.1021/jo0620720","","","1.54178","CuKα","","0.0455","0.0446","","","0.1162","0.1174","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022675","14.196","0.005","9.713","0.005","15.483","0.005","90","0.005","90","0.005","90","0.005","2134.9","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl-4-acetyl-3-(methylthio)pyrrole-2-carboxylate","","- C10 H13 N O3 S -","- C10 H13 N O3 S -","- C80 H104 N8 O24 S8 -","8","1","","N. C. Misra; K. Panda; H. Ila; H. Junjappa","An Efficient Highly Regioselective Synthesis of 2,3,4-Trisubstituted Pyrroles by Cycloaddition of Polarized Ketene S,S- and N,S- Acetals with Activated Methylene Isocyanides","Journal of Organic Chemistry","2007","72","","1246","1251","10.1021/jo062139j","","x-ray","0.71069","MoKα","","0.0391","0.0368","","","0.0936","0.0952","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022684","8.027","0.005","13.87","0.011","36.175","0.014","90","","90","","90","","4028","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H26 O3 -","- C26 H26 O3 -","- C208 H208 O24 -","8","1","","Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Srinivasarao Arulananda Babu; Eringathodi Suresh","Anomalous Reaction of Rh~2~(OAc)~4~-Generated Transient Carbonyl Ylides: Chemoselective Synthesis of Epoxy-Bridged Tetrahydropyranone, Oxepanone, Oxocinone, and Oxoninone Ring Systems","Journal of Organic Chemistry","2007","72","","1252","1262","10.1021/jo0621726","","","0.7107","","","0.1388","0.0741","","","0.1885","0.2134","","","","","","1.048","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022689","8.961","0.008","21.599","0.003","20.543","0.007","90","","90","","90","","3976","4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H30 Br8 -","- C38 H30 Br8 -","- C152 H120 Br32 -","4","0.5","","Ritesh Nandy; Mahadevan Subramoni; Babu Varghese; Sethuraman Sankararaman","Intramolecular π-Stacking Interaction in a Rigid Molecular Hinge Substituted with 1-(Pyrenylethynyl) Units","Journal of Organic Chemistry","2007","72","","938","944","10.1021/jo062173y","","","0.71073","MoKα","","0.2364","0.0541","","","0.1425","0.2121","","","","","","0.96","","","","has coordinates","178405","2020-10-21","18:00:00",""
"4022698","17.7606","0.0017","10.0435","0.0009","20.3393","0.0019","90","","90","","90","","3628.1","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Xiyuan Yuan; Xiaobing Xu; Xiaobo Zhou; Jiwei Yuan; Lugen Mai; Yanzhong Li","Copper-Catalyzed Double N-Alkenylation of Amides: An Efficient Synthesis of Di- or Trisubstituted N-Acylpyrroles","Journal of Organic Chemistry","2007","72","","1510","1513","10.1021/jo062194s","","","0.71073","MoKα","","0.0917","0.0541","","","0.1258","0.1392","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022750","14.782","0.005","9.962","0.005","17.144","0.005","90","","90","","90","","2524.6","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,9a-dimethyl-1,2,3,3a,9,9a-hexahydropentaleno[1,2-b]indol-1,9-dione","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","A. K. Yadav; S. Peruncheralathan; H. Ila; H. Junjappa","Domino Carbocationic Rearrangement of α-[Bis(methylthio)methylene]alkyl-2-(3/2-indolyl)) Cyclopropyl Ketones","Journal of Organic Chemistry","2007","72","","1388","1394","10.1021/jo062302a","","","0.71069","MoKα","","0.0832","0.0579","","","0.13","0.1485","","","","","","1.066","","","","has coordinates","178406","2020-10-21","18:00:00",""
"4022751","7.4907","0.0004","13.1495","0.0008","18.5332","0.0012","90","","90","","90","","1825.5","0.19","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","1","","Philip J. Parsons; Alexander J. Waters; Daryl S. Walter; Johnathan Board","A New Route to Highly Functionalized Heterocyclic Rings","Journal of Organic Chemistry","2007","72","","1395","1398","10.1021/jo062305n","","x-ray","0.71073","MoKα","","0.0552","0.0424","","","0.101","0.1094","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022815","13.7345","0.0012","16.8989","0.0016","17.6432","0.0017","90","","90","","90","","4095","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O5 -","- C23 H22 N2 O5 -","- C184 H176 N16 O40 -","8","1","","Jing Wu; Fang Fang; Wen-Ya Lu; Jun-Li Hou; Chuang Li; Zong-Quan Wu; Xi-Kui Jiang; Zhan-Ting Li; Yi-Hua Yu","Dynamic [2]Catenanes Based on a Hydrogen Bonding-Mediated Bis-Zinc Porphyrin Foldamer Tweezer: A Case Study","Journal of Organic Chemistry","2007","72","","2897","2905","10.1021/jo062523g","","","0.71073","MoKα","","0.0969","0.0459","","","0.093","0.1053","","","","","","0.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022818","8.1872","0.0014","15.038","0.003","20.491","0.004","90","","90","","90","","2522.8","0.7","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C104 H104 Br8 O16 -","8","1","","Ireneusz Nowak; Morris J. Robins","Trifluoromethylation of Alkenyl Bromides and Iodides (Including 5-Iodouracils) with (CF~3~)~2~Hg and Cu (""Trifluoromethylcopper"")","Journal of Organic Chemistry","2007","72","","2678","2681","10.1021/jo062544a","","","0.71073","MoKα","","0.0638","0.0375","","","0.0898","0.1074","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022821","7.8118","0.0008","18.6118","0.0018","19.9122","0.0019","90","","90","","90","","2895.1","0.5","130","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C136 H144 O40 -","8","1","","Yit Wooi Goh; Stephen M. Danczak; Tang Kuan Lim; Jonathan M. White","Manifestations of the Alder-Rickert Reaction in the Structures of Bicyclo[2.2.2]octadiene and Bicyclo[2.2.2]octene Derivatives","Journal of Organic Chemistry","2007","72","","2929","2935","10.1021/jo0625610","","","0.71073","MoKα","","0.0699","0.0479","","","0.1171","0.1256","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022826","17.156","0.003","11.5476","0.0018","22.209","0.003","90","","90","","90","","4400","1.2","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H30 O5 -","- C26 H30 O5 -","- C208 H240 O40 -","8","1","","Raşit Çalişkan; Mohamed Fadelalla Ali; Ertan Şahin; William H. Watson; Metin Balci","Unusual Manganese(III)-Mediated Oxidative Free Radical Additions of 1,3-Dicarbonyl Compounds to Benzonorbornadiene and 7-Heterobenzonorbornadienes: Mechanistic Studies","Journal of Organic Chemistry","2007","72","","3353","3359","10.1021/jo0625711","","","0.71073","MoKα","","0.0468","0.0318","","","0.0785","0.0841","","","","","","0.99","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022846","11.2623","0.0007","18.3286","0.0012","25.5214","0.0016","90","","90","","90","","5268.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H31 N O7 -","- C30 H31 N O7 -","- C240 H248 N8 O56 -","8","1","","Cyril Poriel; Mathilde Lachia; Claire Wilson; James R. Davies; Christopher J. Moody","Oxidative Rearrangement of Indoles: A New Approach to the EFHG-Tetracyclic Core of Diazonamide A","Journal of Organic Chemistry","2007","72","","2978","2987","10.1021/jo062627r","","","0.71073","MoKα","","0.0634","0.0427","","","0.1008","0.1078","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022859","19.757","0.004","8.9547","0.0016","21.234","0.004","90","","90","","90","","3756.6","1.2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C160 H240 N16 O16 -","8","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Oksana V. Ryabtsova; Valery A. Ozeryanskii; Mikhail E. Kletskii; Zoya A. Starikova; Lucjan Sobczyk; Alexander Filarowski","2-α-Hydroxyalkyl- and 2,7-Di(α-hydroxyalkyl) -1,8-bis(dimethylamino)naphthalenes: Stabilization of Nonconventional In/Out Conformers of ""Proton Sponges"" via N···H-O Intramolecular Hydrogen Bonding. A Remarkable Kind of Tandem Nitrogen Inversion","Journal of Organic Chemistry","2007","72","","3006","3019","10.1021/jo062667v","","","0.71073","MoKα","","0.0863","0.0508","","","0.0893","0.0982","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022867","14.8016","0.0008","10.8598","0.0005","24.891","0.001","90","","90","","90","","4001","0.4","153.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O4 S -","- C24 H22 N2 O4 S -","- C192 H176 N16 O32 S8 -","8","1","","Yoko Murakami; Noriyuki Yoshimoto; Nobutaka Fujieda; Kei Ohkubo; Tatsuhiko Hasegawa; Kenji Kano; Shunichi Fukuzumi; Shinobu Itoh","Model Studies of 6,7-Indolequinone Cofactors of Quinoprotein Amine Dehydrogenases","Journal of Organic Chemistry","2007","72","","3369","3380","10.1021/jo0700272","","","0.7107","MoKα","","","0.033","","","","0.045","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022873","14.0661","0.0012","19.6477","0.0015","37.765","0.002","90","","90","","90","","10437","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","cs641","","","- C48.5 H58 F12 N3 O14.5 P2 -","- C48.5 H58 F12 N3 O14.5 P2 -","- C388 H464 F96 N24 O116 P16 -","8","1","","Harry W. Gibson; Hong Wang; Carla Slebodnick; Joseph Merola; W. Scott Kassel; Arnold L. Rheingold","Isomeric 2,6-Pyridino-Cryptands Based on Dibenzo-24-crown-8","Journal of Organic Chemistry","2007","72","","3381","3393","10.1021/jo070030l","","x-ray","0.71073","MoKα","","0.1694","0.1285","","","0.3295","0.3604","","","","","","1.284","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022881","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura","Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds","Journal of Organic Chemistry","2007","72","","3394","3402","10.1021/jo0700427","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4023023","8.4574","0.0013","15.167","0.002","19.34","0.003","90","","90","","90","","2480.8","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Bor-Cherng Hong; Ming-Fun Wu; Hsing-Chang Tseng; Guo-Fong Huang; Cheng-Feng Su; Ju-Hsiou Liao","Organocatalytic Asymmetric Robinson Annulation of α,β-Unsaturated Aldehydes: Applications to the Total Synthesis of (+)-Palitantin","Journal of Organic Chemistry","2007","72","","8459","8471","10.1021/jo701477v","","","0.71073","MoKα","","0.2428","0.1066","","","0.1846","0.2313","","","","","","1.056","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023155","9.133","0.006","17.525","0.012","25.441","0.012","90","","90","","90","","4072","4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O S7 -","- C14 H14 O S7 -","- C112 H112 O8 S56 -","8","1","","Takahiro Tsuchiya; Yosuke Okada; Toshio Shimizu; Kazunori Hirabayashi; Nobumasa Kamigata","Molecular Transformations of Unsaturated Thiacrown Ethers","Journal of Organic Chemistry","2008","73","","76","80","10.1021/jo701757s","","","0.71075","MoKα","","0.0603","0.0502","","","0.132","0.1442","","","","","","1.05","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023234","10.5962","0.0001","7.6134","0.0001","44.5783","0.0006","90","","90","","90","","3596.27","0.13","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 I N4 O2 -","- C19 H17 I N4 O2 -","- C152 H136 I8 N32 O16 -","8","1","","Rachel L. Beingessner; Bo-Liang Deng; Phillip E. Fanwick; Hicham Fenniri","A Regioselective Approach to Trisubstituted 2 (or 6)-Arylaminopyrimidine-5-carbaldehydes and Their Application in the Synthesis of Structurally and Electronically Unique G-C Base Precursors","Journal of Organic Chemistry","2008","73","","931","939","10.1021/jo7021422","","","0.71073","MO-Kα","","","0.037","","","","0.093","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023279","7.9089","0.0015","19.01","0.004","28.786","0.006","90","","90","","90","","4327.8","1.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cl2 O4 -","- C25 H22 Cl2 O4 -","- C200 H176 Cl16 O32 -","8","1","","Andrew DeAngelis; Patricia Panne; Glenn P. A. Yap; Joseph M. Fox","Rh-Catalyzed Formation of Dioxolanes from α-Alkyl Diazoesters: Diastereoselective Cycloadditions of Carbonyl Ylides with Selectivity over β-Hydride Elimination","Journal of Organic Chemistry","2008","73","","1435","1439","10.1021/jo702308f","","","0.71073","MoKα","","0.0661","0.0463","","","0.1158","0.1277","","","","","","1.012","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023325","11.3026","0.0007","8.0682","0.0004","21.4599","0.0013","90","","90","","90","","1957","0.2","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Br N O2 -","- C8 H16 Br N O2 -","- C64 H128 Br8 N8 O16 -","8","1","","Grant R. Krow; Deepa Gandla; Weiwei Guo; Ryan A. Centafont; Guoliang Lin; Charles DeBrosse; Philip E. Sonnet; Ross, III, Charles W.; Harri G. Ramjit; Patrick J. Carroll; Kevin C. Cannon","Neighboring Group Participation in the Additions of Iodonium and Bromonium Ions to N-Alkoxycarbonyl-2-azabicyclo[2.2.n]alk-5-enes (n = 1,2)","Journal of Organic Chemistry","2008","73","","2114","2121","10.1021/jo702153q","","","0.71069","MoKα","","0.0307","0.0245","","","0.0606","0.0629","","","","","","0.982","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023372","10.5655","0.0006","10.4556","0.0006","27.2783","0.0015","90","","90","","90","","3013.4","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cl O2 S2 -","- C15 H11 Cl O2 S2 -","- C120 H88 Cl8 O16 S16 -","8","1","","Guodong Yin; Zihua Wang; Aihua Chen; Meng Gao; Anxin Wu; Yuanjiang Pan","A New Facile Approach to the Synthesis of 3-Methylthio-Substituted Furans, Pyrroles, Thiophenes, and Related Derivatives","Journal of Organic Chemistry","2008","73","","3377","3383","10.1021/jo702585s","","","0.71073","MoKα","","0.08","0.0681","","","0.1504","0.1566","","","","","","1.184","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023394","15.915","0.006","19.022","0.01","10.736","0.005","90","","90","","90","","3250","3","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-(ethoxycarbonyl)-7-bromo-5,6,7,8-tetrahydro-5,6-dimethyl-8-oxonapthelene -2-carboxylic acid","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C128 H136 Br8 O40 -","8","1","","Wendy A. Loughlin; Ian D. Jenkins; Luke C. Henderson; Marc R. Campitelli; Peter C. Healy","Total Synthesis of (±)-Hyphodermins A and D","Journal of Organic Chemistry","2008","73","","3435","3440","10.1021/jo800227p","","","0.71069","MoKα","","0.132","0.0526","","","0.131","0.1621","","","","","","1.011","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023397","18.849","0.002","7.479","0.001","19.864","0.002","90","","90","","90","","2800.3","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","","Angela Salcedo; Luc Neuville; Jieping Zhu","Palladium-Catalyzed Intramolecular C-Arylation of Benzylic Carbon: Synthesis of 3-Benzoxazolylisoindolinones by a Sequence of Ugi-4CR/Postfunctionalization","Journal of Organic Chemistry","2008","73","","3600","3603","10.1021/jo800266y","","","0.71069","MoKα","","0.0638","0.0397","","","0.0952","0.1076","","","","","","1.047","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023408","8.368","0.005","13.83","0.007","23.727","0.013","90","","90","","90","","2746","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,4a-Dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carbonitrile","","- C17 H21 N -","- C17 H21 N -","- C136 H168 N8 -","8","1","","Fraser F. Fleming; Guoqing Wei; Omar W. Steward","Cyclic Nitriles: Stereodivergent Addition-Alkylation-Cyclization to cis- and trans-Abietanes","Journal of Organic Chemistry","2008","73","","3674","3679","10.1021/jo8001062","","","0.71073","MoKα","","0.1159","0.0758","","","0.1943","0.2414","","","","","","1.079","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023470","15.2114","0.0003","16.3536","0.0004","17.9982","0.0003","90","","90","","90","","4477.3","0.2","113.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H30 O2 -","- C30 H30 O2 -","- C240 H240 O16 -","8","1","","Masahiko Shibahara; Motonori Watanabe; Tetsuo Iwanaga; Taisuke Matsumoto; Keiko Ideta; Teruo Shinmyozu","Synthesis, Structure, and Transannular π-π Interaction of Three- and Four-Layered [3.3]Paracyclophanes","Journal of Organic Chemistry","2008","73","","4433","4442","10.1021/jo8003309","","","0.7107","MoKα","","","0.0452","","","","0.1188","","","","","","0.969","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023472","12.3267","0.0009","7.3356","0.0006","36.777","0.003","90","","90","","90","","3325.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C160 H120 N24 O32 -","8","1","","Leonid G. Voskressensky; Ilya V. Vorobiev; Tatyana N. Borisova; Alexey V. Varlamov","Synthesis and Reactivity of a Novel Class of Long-Lived Ammonium Ylides: Derivatives of Benzo[b]pyrrolo[2,1-f][1.6]naphthyridine","Journal of Organic Chemistry","2008","73","","4596","4601","10.1021/jo8003698","","","0.71073","MoKα","","0.1032","0.0878","","","0.1735","0.1827","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023531","10.9182","0.0008","14.5439","0.0011","21.0612","0.0016","90","","90","","90","","3344.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SiPr2P(C14H9)","9-Diisopropylthiophosphorylanthracene","","- C20 H23 P S -","- C20 H23 P S -","- C160 H184 P8 S8 -","8","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0315","0.0298","","","0.0796","0.0809","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023532","11.0214","0.0016","14.57","0.002","21.206","0.003","90","","90","","90","","3405.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SeiPr2P(C14H9)","9-Diisopropylselenophosphorylanthracene","","- C20 H23 P Se -","- C20 H23 P Se -","- C160 H184 P8 Se8 -","8","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.023","0.0215","","","0.0586","0.0595","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023594","7.7559","0.0009","19.609","0.002","30.304","0.004","90","","90","","90","","4608.8","0.9","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","bicorannulenyl","bicorannulenyl","","- C40 H18 -","- C40 H18 -","- C320 H144 -","8","1","","David Eisenberg; Alexander S. Filatov; Edward A. Jackson; Mordecai Rabinovitz; Marina A. Petrukhina; Lawrence T. Scott; Roy Shenhar","Bicorannulenyl: Stereochemistry of a C~40~H~18~ Biaryl Composed of Two Chiral Bowls","Journal of Organic Chemistry","2008","73","","6073","6078","10.1021/jo800359z","","","0.71073","MoKα","","0.2063","0.0681","","","0.0801","0.1082","","","","","","1.049","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023650","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.5","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Michael D. Lainchbury; Marcus I. Medley; Piers M. Taylor; Paul Hirst; Wolfgang Dohle; Kevin I. Booker-Milburn","A Protecting Group Free Synthesis of (\±)-Neostenine via the [5 + 2] Photocycloaddition of Maleimides","Journal of Organic Chemistry","2008","73","","6497","6505","10.1021/jo801108h","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023713","8.905","0.0006","19.1445","0.0013","22.5916","0.0015","90","","90","","90","","3851.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O -","- C26 H23 N O -","- C208 H184 N8 O8 -","8","1","","Catelijne H. M. Amijs; Verónica López-Carrillo; Mihai Raducan; Patricia Pérez-Galán; Catalina Ferrer; Antonio M. Echavarren","Gold(I)-Catalyzed Intermolecular Addition of Carbon Nucleophiles to 1,5- and 1,6-Enynes","Journal of Organic Chemistry","2008","73","","7721","7730","10.1021/jo8014769","","","0.71073","MoKα","","0.066","0.049","","","0.1267","0.1396","","","","","","1.039","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023716","7.8398","0.0002","10.5404","0.0003","29.6581","0.001","90","","90","","90","","2450.79","0.12","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H9 F3 O4 S -","- C11 H9 F3 O4 S -","- C88 H72 F24 O32 S8 -","8","1","","Simon Specklin; Philippe Bertus; Jean-Marc Weibel; Patrick Pale","A Versatile and Highly Stereoselective Access to Vinyl Triflates Derived from 1,3-Dicarbonyl and Related Compounds","Journal of Organic Chemistry","2008","73","","7845","7848","10.1021/jo8015049","","","0.71073","MoKα","","0.0671","0.0438","","","0.1126","0.1354","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023723","13.5621","0.0008","13.4559","0.0007","19.5848","0.0011","90","","90","","90","","3574","0.3","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C144 H200 N8 O24 S8 -","8","1","","Susannah C. Coote; Stephen P. Moore; Peter O'Brien; Adrian C. Whitwood; John Gilday","Organolithium-Mediated Conversion of β-Alkoxy Aziridines into Allylic Sulfonamides: Effect of the N-Sulfonyl Group and a Formal Synthesis of (\±)-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","7852","7855","10.1021/jo801586h","","","0.71073","MoKα","","0.0513","0.0375","","","0.0963","0.1063","","","","","","1.011","","","","has coordinates,has disorder","178416","2020-10-21","18:00:00",""
"4023732","6.3597","0.0003","12.0086","0.0007","18.7931","0.001","90","","90","","90","","1435.25","0.13","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C56 H48 N16 O32 -","8","1","","Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore","Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate","Journal of Organic Chemistry","2008","73","","7939","7951","10.1021/jo8013512","","","0.71073","MoKα","","0.0403","0.0374","","","0.0975","0.1006","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023786","10.642","0.0002","8.3077","0.0002","38.1238","0.0008","90","","90","","90","","3370.55","0.12","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C152 H144 N16 O32 -","8","1","","Ronald Grigg; Visuvanathar Sridharan; Mufakhrul Shah; Simon Mutton; Colin Kilner; David MacPherson; Peter Milner","Regioselective Synthesis of N-Aminoisoindolones and Mono-N- and Di-N,N'-substituted Phthalazones Utilizing Hydrazine Nucleophiles in a Palladium-Catalyzed Three-Component Cascade Process","Journal of Organic Chemistry","2008","73","","8352","8356","10.1021/jo800822p","","x-ray","0.71073","MoKα","","0.1283","0.0872","","","0.2063","0.2456","","","","","","1.047","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4023874","11.0169","0.0017","14.654","0.002","28.298","0.005","90","","90","","90","","4568.4","1.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N S -","- C13 H15 N S -","- C208 H240 N16 S16 -","16","2","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0763","0.0471","","","0.1071","0.1263","","","","","","1.018","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023882","14.5885","0.0018","8.2099","0.001","18.071","0.002","90","","90","","90","","2164.3","0.5","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N S -","- C12 H15 N S -","- C96 H120 N8 S8 -","8","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0595","0.041","","","0.0992","0.1138","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023919","20.3831","0.0014","14.5284","0.0009","23.2366","0.0015","90","","90","","90","","6881.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H51 N3 O5 S -","- C35 H51 N3 O5 S -","- C280 H408 N24 O40 S8 -","8","1","","Michael S. Wilson; Albert Padwa","A Stereoselective Approach to the Azaspiro[5.5]undecane Ring System Using a Conjugate Addition/Dipolar Cycloaddition Cascade: Application to the Total Synthesis of (±)-2,7,8-epi-Perhydrohistrionicotoxin","Journal of Organic Chemistry","2008","73","","9601","9609","10.1021/jo801295e","","","1.54178","CuKα","","0.1128","0.0457","","","0.1381","0.1775","","","","","","1.05","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023936","11.298","0.002","10.1305","0.0015","17.834","0.004","90","","90","","90","","2041.2","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Cl N O2 -","- C8 H16 Cl N O2 -","- C64 H128 Cl8 N8 O16 -","8","1","","Lijun Fan; Ashley M. Adams; Jason G. Polisar; Bruce Ganem","Studies on the Chemistry and Reactivity of α-Substituted Ketones in Isonitrile-Based Multicomponent Reactions","Journal of Organic Chemistry","2008","73","","9720","9726","10.1021/jo8019708","","","0.71073","MoKα","","0.0566","0.0382","","","0.0928","0.1025","","","","","","1.024","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023956","13.9531","0.0011","11.995","0.0009","14.7956","0.0012","90","","90","","90","","2476.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl N4 -","- C14 H11 Cl N4 -","- C112 H88 Cl8 N32 -","8","1","","Weibing Lu; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Mitsunobu Coupling of Nucleobases and Alcohols: An Efficient, Practical Synthesis for Novel Nonsugar Carbon Nucleosides","Journal of Organic Chemistry","2007","72","","5012","5015","10.1021/jo070515+","","","0.71073","MoKα","","0.0563","0.0405","","","0.1065","0.1191","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023969","10.194","0.003","13.671","0.003","22.72","0.006","90","","90","","90","","3166.1","1.4","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","","Dhevalapally B. Ramachary; Mamillapalli Kishor","Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland-Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence: Scope and Applications of Organocatalytic Biomimetic Reductions","Journal of Organic Chemistry","2007","72","","5056","5068","10.1021/jo070277i","","","0.71073","MoKα","","0.1118","0.0787","","","0.1496","0.1617","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023990","11.5196","0.0015","11.3782","0.0016","23.977","0.003","90","","90","","90","","3142.7","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl N4 -","- C18 H19 Cl N4 -","- C144 H152 Cl8 N32 -","8","1","","Zhidong Ma; Cynthia S. Day; Ulrich Bierbach","Unexpected Reactivity of the 9-Aminoacridine Chromophore in Guanidylation Reactions","Journal of Organic Chemistry","2007","72","","5387","5390","10.1021/jo0705972","","","0.71073","MoKα","","0.0666","0.0448","","","0.1016","0.1086","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024004","7.351","0.0015","12.071","0.002","28.875","0.006","90","","90","","90","","2562.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,2S,3R)-methyl 1-cyano-3-(methoxycarbonyloxy)- 2,3-dimethylcyclopentanecarboxylate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C96 H136 N8 O40 -","8","1","","Fraser F. Fleming; Guoqing Wei; Zhiyu Zhang; Omar W. Steward","Cyclic Oxonitriles: Stereodivergent Grignard Addition-Alkylations","Journal of Organic Chemistry","2007","72","","5270","5275","10.1021/jo070678y","","","0.71073","MoKα","","0.0642","0.0451","","","0.1168","0.1278","","","","","","1.061","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024047","12.61","0.003","6.7441","0.0019","22.242","0.006","90","","90","","90","","1891.5","0.9","168","2","168","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H10 F8 -","- C26 H10 F8 -","- C104 H40 F32 -","4","0.5","","John F. Tannaci; Masahiro Noji; Jennifer McBee; T. Don Tilley","9,10-Dichlorooctafluoroanthracene as a Building Block for n-Type Organic Semiconductors","Journal of Organic Chemistry","2007","72","","5567","5573","10.1021/jo070404a","","","0.71073","MoKα","","0.0681","0.0428","","","0.0988","0.1145","","","","","","1.048","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024057","11.3159","0.0018","7.5465","0.0012","21.013","0.003","90","","90","","90","","1794.4","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N3 -","- C10 H11 N3 -","- C80 H88 N24 -","8","1","","Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier","BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron","Journal of Organic Chemistry","2007","72","","5637","5646","10.1021/jo0705420","","","0.71073","MoKα","","0.0496","0.0435","","","0.122","0.1271","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024115","15.5426","0.0008","8.5151","0.0004","17.1816","0.0008","90","","90","","90","","2273.93","0.19","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","compound (6)","6-Hydroxy-2,2,5,8-tetramethylchroman","","- C13 H18 O2 -","- C13 H18 O2 -","- C104 H144 O16 -","8","1","","Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau","Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations","Journal of Organic Chemistry","2007","72","","6504","6512","10.1021/jo0706832","","","0.71073","MoKα","","0.0463","0.042","","","0.1161","0.1209","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024198","11.1322","0.0006","9.4331","0.0005","25.1364","0.0015","90","","90","","90","","2639.6","0.3","293","1","293","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 F5 N O4 P -","- C10 H9 F5 N O4 P -","- C80 H72 F40 N8 O32 P8 -","8","1","","Jinhua Song; Hiroshi Yamataka; Zvi Rappoport","Dialkoxyphosphinyl-Substituted Enols of Carboxamides","Journal of Organic Chemistry","2007","72","","7605","7624","10.1021/jo0710679","","","0.71073","MoKα","","0.1034","0.0805","","","0.1607","0.1725","","","","","","1.26","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024215","15.851","0.002","19.184","0.003","23.951","0.004","90","","90","","90","","7282.8","1.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H42 B N7 P Rh -","- C40 H42 B N7 P Rh -","- C320 H336 B8 N56 P8 Rh8 -","8","1","","Jun Yang; Anthony Sabarre; Lauren R. Fraser; Brian O. Patrick; Jennifer A. Love","Synthesis of 1,1-Disubstituted Alkyl Vinyl Sulfides via Rhodium-Catalyzed Alkyne Hydrothiolation: Scope and Limitations","Journal of Organic Chemistry","2009","74","","182","187","10.1021/jo801644s","","","0.71073","MoKα","","0.0336","0.0241","","","0.0581","0.0657","","","","","","1.081","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024285","12.3707","0.0009","11.5748","0.0009","25.612","0.002","90","","90","","90","","3667.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Nathalie Chopin; Hélène Gérard; Isabelle Chataigner; Serge R. Piettre","Benzofurans as Efficient Dienophiles in Normal Electron Demand [4 + 2] Cycloadditions","Journal of Organic Chemistry","2009","74","","1237","1246","10.1021/jo802205d","","","0.71073","MoKα","","0.0593","0.0516","","","0.1492","0.1569","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024297","8.2119","0.0004","9.6137","0.0004","38.6588","0.0018","90","","90","","90","","3052","0.2","180","1","180","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0895","0.0783","","","0.1261","0.1282","","","","","","1.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024300","9.6108","0.0006","9.9743","0.0006","33.578","0.002","90","","90","","90","","3218.8","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C128 H160 O32 S8 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0554","0.0458","","","0.0996","0.1053","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024362","8.7421","0.0001","17.848","0.0003","12.4786","0.0002","90","","90","","90","","1947.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Paquette 1573","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0664","0.0399","","","0.0896","0.0999","","","","","","1.01","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024371","10.9084","0.0002","7.7113","0.0001","17.1754","0.0003","90","","90","","90","","1444.76","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C72 H48 Br8 -","4","0.5","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0263","0.0258","","","0.0664","0.0668","","","","","","1.134","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024372","13.4025","0.0003","14.1016","0.0003","32.0118","0.0006","90","","90","","90","","6050.1","0.2","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H30 -","- C44 H30 -","- C352 H240 -","8","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0321","0.0285","","","0.0753","0.0775","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024410","5.9053","0.0001","13.5525","0.0002","16.3577","0.0003","90","","90","","90","","1309.1","0.1","20","0.05","20","0.05","","","","","","","","3","P b c a","-P 2ac 2ab","61","Meldrum's Acid","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Deepak Chopra; Vladimir V. Zhurov; Elizabeth A. Zhurova; A. Alan Pinkerton","Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid: A Combined Experimental and Theoretical Electron Density Study","Journal of Organic Chemistry","2009","74","","2389","2395","10.1021/jo8027054","","","0.71073","MoKα","","0.013","0.013","","","","0.023","0.015","","","","","1.0473","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024414","9.8701","0.0005","8.4761","0.0004","16.1109","0.0008","90","","90","","90","","1347.84","0.11","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis(1,1'-methyl-1,1'-(2-hydroxyethyl)tetrazolyl))tetrazene","","","- C8 H16 N12 O2 -","- C8 H16 N12 O2 -","- C32 H64 N48 O8 -","4","0.5","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0381","0.0271","","","0.0702","0.0782","","","","","","1.058","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024441","11.8759","0.0014","9.4026","0.0011","23.997","0.003","90","","90","","90","","2679.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methyl-4-p-tolyl-2H-1,4-benzoxazin-3(4H)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","Enguang Feng; He Huang; Yu Zhou; Deju Ye; Hualiang Jiang; Hong Liu","Copper(I)-Catalyzed One-Pot Synthesis of 2H-1,4-Benzoxazin-3-(4H)-ones fromo-Halophenols and 2-Chloroacetamides","Journal of Organic Chemistry","2009","74","","2846","2849","10.1021/jo802818s","","","0.71073","MoKα","","0.0854","0.0532","","","0.1305","0.1441","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024451","10.644","0.002","14.876","0.003","15.388","0.003","90","","90","","90","","2436.7","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C11 H15 N4 O3 -","- C11 H15 N4 O3 -","- C88 H120 N32 O24 -","8","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1024","0.0668","","","0.1989","0.2185","","","","","","1.024","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024482","10.9199","0.0001","13.5197","0.0002","40.234","0.0005","90","","90","","90","","5939.9","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl N O5 S2 -","- C60 H62 Cl2 N2 O11 S4 -","- C240 H248 Cl8 N8 O44 S16 -","4","0.5","","Yuhui Ma; Mang Wang; Dan Li; Bahargul Bekturhun; Jun Liu; Qun Liu","α-Alkenoyl Ketene S,S-Acetal-Based Multicomponent Reaction: An Efficient Approach for the Selective Construction of Polyfunctionalized Cyclohexanones","Journal of Organic Chemistry","2009","74","","3116","3121","10.1021/jo900217g","","","0.71073","MoKα","","0.055","0.0488","","","0.1424","0.1475","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024516","11.3308","0.0003","7.2577","0.0002","39.1469","0.0009","90","","90","","90","","3219.27","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","triazolomorpholine","","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C144 H128 N32 O24 -","8","1","","Chinmay Chowdhury; Sanjukta Mukherjee; Bimolendu Das; Basudeb Achari","Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-c]morpholines through Palladium-Copper Catalysis","Journal of Organic Chemistry","2009","74","","3612","3615","10.1021/jo900428j","","","0.71073","MoKα","","0.0608","0.0465","","","0.1491","0.1662","","","","","","1.121","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024521","10.2395","0.0003","8.8488","0.0002","25.3299","0.0007","90","","90","","90","","2295.07","0.11","298","","","","","","","","","","Synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F2 N O2 -","- C12 H11 F2 N O2 -","- C96 H88 F16 N8 O16 -","8","1","","Teerawut Bootwicha; Duanghathai Panichakul; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Fluoride-Catalyzed Addition of PhSCF2SiMe3 to N-Substituted Cyclic Imides Followed by Radical Cyclization: General Synthetic Strategy of gem-Difluoromethylenated 1-Azabicyclic Compounds","Journal of Organic Chemistry","2009","74","","3798","3805","10.1021/jo802794u","","","0.71073","MoKα","","0.0587","0.0417","","","0.1085","0.1202","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024550","11.7089","0.0017","11.4168","0.0017","14.228","0.002","90","","90","","90","","1902","0.5","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C72 H112 N16 O16 -","4","0.5","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1385","0.1282","","","0.1829","0.1873","","","","","","1.284","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024558","12.37","0.003","11.328","0.002","21.465","0.004","90","","90","","90","","3007.8","1.1","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.044","0.042","","","0.112","0.115","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024560","13.0782","0.0019","11.7364","0.0017","18.817","0.003","90","","90","","90","","2888.3","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.045","0.044","","","0.107","0.107","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024579","7.026","0.001","16.043","0.005","26.047","0.004","90","","90","","90","","2936","1.1","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F3 N2 O -","- C16 H15 F3 N2 O -","- C128 H120 F24 N16 O8 -","8","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.12","0.0576","","","0.1609","0.1809","","","","","","1.018","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024581","17.1113","0.0004","17.2951","0.0004","18.4728","0.0005","90","","90","","90","","5466.9","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F3 N2 -","- C15 H15 F3 N2 -","- C240 H240 F48 N32 -","16","2","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0574","0.0536","","","0.1483","0.1521","","","","","","1.065","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024587","16.8637","0.0011","11.4353","0.0008","19.0576","0.0013","90","","90","","90","","3675.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4024602","14.0071","0.0018","9.1925","0.0012","22.496","0.003","90","","90","","90","","2896.6","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C136 H128 N16 O8 -","4","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.71073","MoKα","","0.086","0.0388","","","0.0696","0.0809","","","","","","0.805","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024624","8.0498","0.0004","14.0184","0.0007","34.4239","0.0017","90","","90","","90","","3884.6","0.3","233","","233","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N O2 S -","- C26 H17 N O2 S -","- C208 H136 N8 O16 S8 -","8","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0509","0.0475","","","0.1379","0.1421","","","","","","1.111","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024671","11.606","0.006","10.041","0.005","19.245","0.007","90","","90","","90","","2242.7","1.8","150","2","150","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C64 H112 N16 O16 S8 -","8","1","","Vommina V. Sureshbabu; Shankar A. Naik; H. P. Hemantha; N. Narendra; Ushati Das; Tayur N. Guru Row","N-Urethane-Protected Amino Alkyl Isothiocyanates: Synthesis, Isolation, Characterization, and Application to the Synthesis of Thioureidopeptides","Journal of Organic Chemistry","2009","74","","5260","5266","10.1021/jo900675s","","x-ray","0.71073","MoKα","","0.0718","0.0569","","","0.1722","0.1857","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024715","11.7327","","13.6679","0.0006","28.761","0.002","90","","90","","90","","4612.2","0.4","200","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 F3 N5 O3 S -","- C20 H26 F3 N5 O3 S -","- C160 H208 F24 N40 O24 S8 -","8","1","","Horacio Comas; Gérald Bernardinelli; Dominique Swinnen","A Straightforward, One-Pot Protocol for the Synthesis of Fused 3-Aminotriazoles","Journal of Organic Chemistry","2009","74","","5553","5558","10.1021/jo9009084","","","0.71073","MoKα","","","0.046","","","","0.042","","","","","","1.38","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024723","21.5067","0.0017","16.3341","0.0013","26.994","0.002","90","","90","","90","","9482.9","1.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H46 N4 O15 Os2 -","- C43 H46 N4 O15 Os2 -","- C344 H368 N32 O120 Os16 -","8","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.1109","0.0691","","","0.1116","0.1178","","","","","","1.289","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024790","8.424","0.003","23.69","0.05","25.474","0.009","90","","90","","90","","5083","10","150","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C240 H320 O48 -","16","2","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0992","0.0346","","","0.0465","0.0526","","","","","","0.71","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024796","9.3426","0.0007","15.8436","0.0008","17.0456","0.001","90","","90","","90","","2523.1","0.3","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C96 H128 N16 O16 -","8","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.0983","0.0462","","","0.1056","0.1291","","","","","","1.03","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024801","9.8908","0.0003","12.4381","0.0003","18.2355","0.0005","90","","90","","90","","2243.38","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Pd -","- C14 H14 Pd -","- C112 H112 Pd8 -","8","1","","Danielle M. Norton; Emily A. Mitchell; Nerine R. Botros; Philip G. Jessop; Michael C. Baird","A Superior Precursor for Palladium(0)-Based Cross-Coupling and Other Catalytic Reactions","Journal of Organic Chemistry","2009","74","","6674","6680","10.1021/jo901121e","","","0.71073","MoKα","","0.0296","0.0227","","","0.0514","0.0557","","","","","","1.045","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024837","16.431","0.003","7.8966","0.0013","37.563","0.006","90","","90","","90","","4873.6","1.4","163","2","163","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O3 S Si -","- C24 H34 N2 O3 S Si -","- C192 H272 N16 O24 S8 Si8 -","8","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0481","0.037","","","0.0914","0.0986","","","","","","1.101","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024846","9.986","0.005","19.659","0.005","20.658","0.005","90","","90","","90","","4055","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C184 H184 N8 O24 S8 -","- C23 H23 N O3 S -","- C184 H184 N8 O24 S8 -","8","1","","Manas K. Ghorai; Dipti Shukla; Kalpataru Das","Enantioselective Syntheses of Morpholines and Their Homologues via SN2-Type Ring Opening of Aziridines and Azetidines with Haloalcohols","Journal of Organic Chemistry","2009","74","","7013","7022","10.1021/jo901297d","","x-ray","0.71069","MoKα","","0.1385","0.0586","","","0.1404","0.1829","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024863","10.2065","0.0019","9.2995","0.0017","28.631","0.005","90","","90","","90","","2717.5","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0584","0.0414","","","0.116","0.1318","","","","","","1.069","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024883","13.4214","0.0014","13.9761","0.0014","15.4338","0.0016","90","","90","","90","","2895.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C136 H144 N16 O24 -","8","1","","Pinhong Chen; Lidong Cao; Chaozhong Li","Protecting-Group-Free Total Synthesis of (\±)-Subincanadine F","Journal of Organic Chemistry","2009","74","","7533","7535","10.1021/jo901444e","","","0.71073","MoKα","","0.0954","0.046","","","0.0847","0.0961","","","","","","0.862","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024894","7.023","0.003","18.157","0.008","33.402","0.013","90","","90","","90","","4259","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 B F10 N -","- C23 H14 B F10 N -","- C184 H112 B8 F80 N8 -","8","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0665","0.0461","","","0.0972","0.1093","","","","","","0.96","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024923","10.7308","0.0005","16.4002","0.0007","18.9778","0.0008","90","","90","","90","","3339.9","0.3","150","2","150","2","","","","","","","Mairi Rudkin","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","1","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.0476","0.0452","","","0.1059","0.1074","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024943","9.5311","0.0005","15.1592","0.0009","18.926","0.0011","90","","90","","90","","2734.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0581","0.0509","","","0.1235","0.1284","","","","","","1.097","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024944","10.018","","26.454","","29.788","","90","","90","","90","","7894.3","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74.5 H11 N O S -","- C74.5 H11 N O S -","- C596 H88 N8 O8 S8 -","8","1","","Fang-Fang Li; Wei-Wei Yang; Guo-Bao He; Xiang Gao","Formation of Fullerooxazoles from C61HPh3-: The Regioselectivity of Heteroatom Additions","Journal of Organic Chemistry","2009","74","","8071","8077","10.1021/jo9012207","","","0.71073","MoKα","","0.206","0.0816","","","0.1736","0.233","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024952","23.8516","0.0008","12.797","0.0004","24.0205","0.0008","90","","90","","90","","7331.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cl4 N2 O4 Pd -","- C32 H46 Cl4 N2 O4 Pd -","- C256 H368 Cl32 N16 O32 Pd8 -","8","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0624","0.0319","","","0.053","0.055","","","","","","1.441","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4024974","14.9852","0.0008","5.7581","0.0003","26.3143","0.0012","90","","90","","90","","2270.6","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methoxy-2-phenylbenzofuran","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Ikyon Kim; Kyungsun Kim; Jungeun Choi","A Direct Approach to 5-Hydroxybenzofurans via a Platinum-Catalyzed Domino Rearrangement/5-endo-dig Cyclization Reaction of Quinols","Journal of Organic Chemistry","2009","74","","8492","8495","10.1021/jo901937u","","","0.71073","MoKα","","0.0892","0.0408","","","0.0951","0.1135","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024980","13.9575","0.0007","10.1923","0.0005","30.3753","0.0015","90","","90","","90","","4321.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Gagik G. Melikyan; Ryan Spencer; Edwin Abedi","Stereoselective Synthesis of meso-1,5-Cyclodecadiynes","Journal of Organic Chemistry","2009","74","","8541","8546","10.1021/jo901404f","","","1.54178","CuKα","","0.0369","0.0327","","","0.0919","0.0952","","","","","","1.026","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024986","17.706","0.008","11.613","0.005","25.186","0.011","90","","90","","90","","5179","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H52 Cl6 O4 -","- C54.002 H52.002 Cl6.006 O4 -","- C216.008 H208.008 Cl24.024 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.156","0.0895","","","0.2471","0.2879","","","","","","1.061","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024987","17.6358","0.0012","11.6978","0.0008","25.0919","0.0018","90","","90","","90","","5176.5","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H50 Cl8 O4 -","- C54 H50 Cl8 O4 -","- C216 H200 Cl32 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.072","0.0584","","","0.1573","0.1693","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025025","17.9005","0.0011","5.8609","0.0004","25.563","0.0016","90","","90","","90","","2681.9","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C112 H104 Cl8 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.055","0.0452","","","0.0796","0.081","","","","","","1.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025031","17.6881","0.0009","5.8655","0.0003","27.0846","0.0015","90","","90","","90","","2810","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cl2 O4 -","- C14 H12 Cl2 O4 -","- C112 H96 Cl16 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0425","0.0364","","","0.0745","0.0759","","","","","","1.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025048","11.1345","0.0001","18.9292","0.0002","15.6921","0.0002","90","","90","","90","","3307.38","0.06","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Hart 1731","","","- C16 H26 O3 Si -","- C16 H26 O3 Si -","- C128 H208 O24 Si8 -","8","1","","Dexi Yang; Valerie Cwynar; Matthew G. Donahue; David J. Hart; Grace Mbogo","Two Approaches to Diverting the Course of a Free-Radical Cyclization: Application of Cyclopropylcarbinyl Radical Fragmentations and Allenes as Radical Acceptors","Journal of Organic Chemistry","2009","74","","8726","8732","10.1021/jo901834q","","x-ray","0.71073","MoKα","","0.0561","0.037","","","0.0919","0.0993","","","","","","1.044","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025096","9.457","0.001","13.107","0.001","28.175","0.001","90","","90","","90","","3492.4","0.5","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C160 H288 O24 -","8","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0932","0.0449","","","0.1","0.1134","","","","","","1.006","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025103","13.518","0.003","14.76","0.003","13.255","0.003","90","","90","","90","","2644.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0539","","","","0.0647","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025104","13.609","0.003","14.887","0.003","13.149","0.004","90","","90","","90","","2663.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0629","","","","0.0656","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025146","9.4943","0.0019","10.749","0.002","27.628","0.006","90","","90","","90","","2819.6","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Fang-Gang Sun; Xue-Liang Huang; Song Ye","Diastereoselective Synthesis of 4-Hydroxytetralones via a Cascade Stetter-Aldol Reaction Catalyzed by N-Heterocyclic Carbenes","Journal of Organic Chemistry","2010","75","","273","276","10.1021/jo902376t","","","0.71073","MoKα","","0.0534","0.0499","","","0.1156","0.1178","","","","","","1.219","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025147","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H78 F N9 O6 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Fluoride: Solution- and Solid-State Structural Binding Probe","Journal of Organic Chemistry","2010","75","","277","283","10.1021/jo901581w","","","0.71073","MoKα","","0.0698","0.0585","","","0.1632","0.1704","","","","","","1.081","","","","has coordinates,has disorder","178430","2020-10-21","18:00:00",""
"4025201","10.9112","0.0009","7.7032","0.0007","34.108","0.003","90","","90","","90","","2866.8","0.4","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H20 F6 -","- C42 H20 F6 -","- C168 H80 F24 -","4","0.5","","Jinling Li; Kai Zhang; Xiaojie Zhang; Kuo-Wei Huang; Chunyan Chi; Jishan Wu","meso-Substituted Bisanthenes as Soluble and Stable Near-infrared Dyes","Journal of Organic Chemistry","2010","75","","856","863","10.1021/jo902413h","","","0.71073","MoKα","","0.1053","0.0775","","","0.1543","0.167","","","","","","1.109","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025212","15.151","0.0004","8.909","0.0006","17.225","0.0008","90","","90","","90","","2325","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 F3 N O4 -","- C10 H12 F3 N O4 -","- C80 H96 F24 N8 O32 -","8","1","","Alberto Avenoza; Jesús H. Busto; Noelia Canal; Francisco Corzana; Jesús M. Peregrina; Marta Pérez-Fernández; Fernando Rodríguez","Cyclobutane Amino Acid Analogues of Furanomycin Obtained by a Formal [2 + 2] Cycloaddition Strategy Promoted by Methylaluminoxane","Journal of Organic Chemistry","2010","75","","545","552","10.1021/jo9025258","","","0.71073","MoKα","","0.0871","0.0619","","","0.1561","0.1764","","","","","","1.117","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025241","6.542","0.004","9.1","0.006","19.268","0.012","90","","90","","90","","1147.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","NDS","NDS","","- C14 H8 Se2 -","- C14 H8 Se2 -","- C56 H32 Se8 -","4","0.5","","Shoji Shinamura; Eigo Miyazaki; Kazuo Takimiya","Synthesis, Properties, Crystal Structures, and Semiconductor Characteristics of Naphtho[1,2-b:5,6-b']dithiophene and -diselenophene Derivatives","Journal of Organic Chemistry","2010","75","","1228","1234","10.1021/jo902545a","","","0.7107","MoKα","","0.0543","0.0375","","","0.0755","0.0797","","","","","","0.723","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025367","11.0171","0.0007","8.4841","0.0005","25.5815","0.0014","90","","90","","90","","2391.1","0.2","123","","123","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","1","","Christoph Beyer; Hans-Achim Wagenknecht","Synthesis of Spiropyrans As Building Blocks for Molecular Switches and Dyads","Journal of Organic Chemistry","2010","75","","2752","2755","10.1021/jo100309r","","","0.71073","MoKα","","0.0478","0.0387","","","0.0987","0.102","","","","","","1.059","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025368","20.555","0.0014","7.568","0.0005","23.917","0.0016","90","","90","","90","","3720.5","0.4","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Quinazolino benzodiazepinone","","","- C20 H18 Cl2 N4 O -","- C20 H18 Cl2 N4 O -","- C160 H144 Cl16 N32 O8 -","8","1","","Umesh A. Kshirsagar; Vedavati G. Puranik; Narshinha P. Argade","Total Synthesis of Proposed Auranthine","Journal of Organic Chemistry","2010","75","","2702","2705","10.1021/jo100400z","","","0.71073","MoKα","","0.08","0.0605","","","0.1708","0.1879","","","","","","1.042","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025382","12.453","0.005","8.941","0.003","18.435","0.007","90","","90","","90","","2052.6","1.3","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 N O3 S -","- C8 H15 N O3 S -","- C64 H120 N8 O24 S8 -","8","1","","Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern","Facile Synthesis of 3-Nitro-2-substituted Thiophenes","Journal of Organic Chemistry","2010","75","","2534","2538","10.1021/jo902656y","","","0.71075","MoKα","","0.0829","0.0542","","","0.172","0.2255","","","","","","1.163","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025416","11.7935","0.0011","16.0031","0.0019","20.98","0.002","90","","90","","90","","3959.6","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H11 Cl3 N2 O4 -","- C22 H11 Cl3 N2 O4 -","- C176 H88 Cl24 N16 O32 -","8","1","","Chambers C. Hughes; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Structures, Reactivities, and Antibiotic Properties of the Marinopyrroles A-F","Journal of Organic Chemistry","2010","75","","3240","3250","10.1021/jo1002054","","","1.54178","CuKα","","0.0838","0.046","","","0.0946","0.108","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025448","7.5286","0.0007","14.7366","0.0014","25.678","0.003","90","","90","","90","","2848.9","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Lei Zhang; Deju Ye; Yu Zhou; Guannan Liu; Enguang Feng; Hualiang Jiang; Hong Liu","Regioselective Synthesis of 3-Benzazepinones and Unexpected 5-Bromo-3-benzazepinones","Journal of Organic Chemistry","2010","75","","3671","3677","10.1021/jo100378u","","","0.71073","MoKα","","0.0723","0.0549","","","0.144","0.1541","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025457","9.0602","0.0005","15.1638","0.001","30.002","0.002","90","","90","","90","","4121.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Cl N O4 S -","- C22 H22 Cl N O4 S -","- C176 H176 Cl8 N8 O32 S8 -","8","1","","Kristen N. Clary; Masood Parvez; Thomas G. Back","Rearrangements and Intramolecular Diels-Alder Reactions of Normal and Vinylogous Aza-Morita-Baylis-Hillman Products Leading to Isoindoline Derivatives","Journal of Organic Chemistry","2010","75","","3751","3760","10.1021/jo1005087","","","0.71073","MoKα","","0.064","0.0548","","","0.1152","0.1201","","","","","","1.199","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025478","11.4683","0.0016","9.2237","0.0013","40.205","0.006","90","","90","","90","","4252.9","1.1","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H18 O4 -","- C28 H18 O4 -","- C224 H144 O32 -","8","1","","Saurav J. Sarma; Paul B. Jones","Photochemistry of 1,n-Dibenzyloxy-9,10-anthraquinones","Journal of Organic Chemistry","2010","75","","3806","3813","10.1021/jo100650u","","","0.71073","MoKα","","0.0962","0.057","","","0.1125","0.128","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025514","10.915","0.002","8.91","0.0018","23.635","0.005","90","","90","","90","","2298.6","0.8","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H21 N O6 -","- C9 H21 N O6 -","- C72 H168 N8 O48 -","8","1","","Yuanping Jie; Peter Livant; Hui Li; Minmin Yang; Wei Zhu; Vince Cammarata; Philip Almond; Tyler Sullens; Yu Qin; Eric Bakker","An Acyclic Trialkylamine Virtually Planar at Nitrogen. Some Chemical Consequences of Nitrogen Planarity","Journal of Organic Chemistry","2010","75","","4472","4479","10.1021/jo100628v","","","0.71073","MoKα","","0.0378","0.0361","","","0.1009","0.1032","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025546","7.2714","0.0016","18.978","0.003","25.506","0.003","90","","90","","90","","3519.7","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Ivan A. Yaremenko; Vladimir V. Chernyshev; Gennady I. Nikishin","Synthesis of Asymmetric Peroxides: Transition Metal (Cu, Fe, Mn, Co) Catalyzed Peroxidation of β-Dicarbonyl Compounds with tert-Butyl Hydroperoxide","Journal of Organic Chemistry","2010","75","","5065","5071","10.1021/jo100793j","","x-ray","1.54184","CuKα","","0.0968","0.0702","","","0.1921","0.216","","","","","","1.057","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025549","21.7455","0.0008","19.1533","0.0008","25.0365","0.0011","90","","90","","90","","10427.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H104 Ba2 Cl4 N4 O36 -","- C84 H104 Ba2 Cl4 N4 O36 -","- C336 H416 Ba8 Cl16 N16 O144 -","4","0.5","","Jian-Min Zhao; Qian-Shou Zong; Chuan-Feng Chen","Complexation of Triptycene-Based Macrotricyclic Host toward (9-Anthracylmethyl)benzylammonium Salt: A Ba2+ Selective Fluorescence Probe","Journal of Organic Chemistry","2010","75","","5092","5098","10.1021/jo1008355","","","0.71073","MoKα","","0.0952","0.0818","","","0.2298","0.2395","","","","","","1.168","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025580","12.787","0.005","7.464","0.003","23.799","0.01","90","","90","","90","","2271.4","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C112 H104 N8 O24 -","8","1","","Yu-Ming Zhao; Peiming Gu; Yong-Qiang Tu; Hai-Jun Zhang; Qing-Wei Zhang; Chun-An Fan","One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN3: Rapid Access to Polycyclic Alkaloids","Journal of Organic Chemistry","2010","75","","5289","5295","10.1021/jo101226r","","","0.71073","MoKα","","0.0627","0.0415","","","0.092","0.1015","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025620","11.628","0.0002","12.1588","0.0002","14.4292","0.0002","90","","90","","90","","2040.04","0.06","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2,4,5-trifluoro-6-nitrobiphenyl","","- C12 H6 F3 N O2 -","- C12 H6 F3 N O2 -","- C96 H48 F24 N8 O16 -","8","1","","Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles","Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions","Journal of Organic Chemistry","2010","75","","5860","5866","10.1021/jo100877j","","x-ray","0.71073","MoKα","K-L~3~","0.0518","0.0414","","","0.1206","0.1302","","","","","","1.08","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025634","18.588","0.013","8.804","0.006","22.536","0.016","90","","90","","90","","3688","4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl N4 O -","- C22 H15 Cl N4 O -","- C176 H120 Cl8 N32 O8 -","8","1","","Hai-Ming Guo; Pu Li; Hong-Ying Niu; Dong-Chao Wang; Gui-Rong Qu","Direct Synthesis of 6-Arylpurines by Reaction of 6-Chloropurines with Activated Aromatics","Journal of Organic Chemistry","2010","75","","6016","6018","10.1021/jo1010334","","","0.71073","MoKα","","0.0778","0.0494","","","0.1134","0.1316","","","","","","1.025","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025646","19.6437","0.0009","7.677","0.0004","24.64","0.0011","90","","90","","90","","3715.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C168 H152 N8 O24 S8 -","8","1","","Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik","Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes","Journal of Organic Chemistry","2010","75","","5953","5962","10.1021/jo101238x","","","0.71073","MoKα","","0.0851","0.0538","","","0.1452","0.1745","","","","","","1.054","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025657","16.2623","0.001","11.1128","0.001","19.894","0.001","90","","90","","90","","3595.2","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Eric Gayon; Olivier Debleds; Marie Nicouleau; Frederic Lamaty; Arie van der Lee; Emmanuel Vrancken; Jean-Marc Campagne","Highly Diastereoselective Baldwin Rearrangement of Isoxazolines intocis-Acylaziridines","Journal of Organic Chemistry","2010","75","","6050","6053","10.1021/jo101273d","","","0.71073","MoKα","","0.1007","0.0448","","0.0803","0.0522","0.0522","","","","","","0.9605","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025695","8.5967","0.0015","16.076","0.003","21.506","0.004","90","","90","","90","","2972.1","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H58 P2 Pd -","- C26 H58 P2 Pd -","- C104 H232 P8 Pd4 -","4","0.5","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0278","0.02","","","0.048","0.051","","","","","","1.043","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025701","10.5863","0.0003","14.001","0.0004","25.4484","0.0008","90","","90","","90","","3771.93","0.19","183","2","183","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C168 H208 O48 -","8","1","","Dae Won Cho; Ramakrishnan Parthasarathi; Adam S. Pimentel; Gabriel D. Maestas; Hea Jung Park; Ung Chan Yoon; Debra Dunaway-Mariano; S. Gnanakaran; Paul Langan; Patrick S. Mariano","Nature and Kinetic Analysis of Carbon-Carbon Bond Fragmentation Reactions of Cation Radicals Derived from SET-Oxidation of Lignin Model Compounds","Journal of Organic Chemistry","2010","75","","6549","6562","10.1021/jo1012509","","","0.71073","MoKα","","0.0518","0.042","","","0.1279","0.1429","","","","","","1","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025709","6.9676","0.0005","15.4981","0.0011","22.8186","0.0017","90","","90","","90","","2464.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O2 S -","- C16 H10 O2 S -","- C128 H80 O16 S8 -","8","1","","Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash","Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex","Journal of Organic Chemistry","2010","75","","6563","6573","10.1021/jo101310m","","x-ray","0.71073","MoKα","","0.0447","0.0386","","","0.0933","0.0974","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025727","5.9154","0.0001","20.1928","0.0003","26.1972","0.0004","90","","90","","90","","3129.22","0.09","150","2","150","2","","","","","","","synthesized by the authors","3","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl2 -","- C22 H12 Cl2 -","- C176 H96 Cl16 -","8","1","","Olivier Songis; Jiří Míšek; Markus B. Schmid; Adrian Kollárovič; Irena G. Stará; David Šaman; Ivana Císařová; Ivo Starý","A Versatile Synthesis of Functionalized Pentahelicenes","Journal of Organic Chemistry","2010","75","","6889","6899","10.1021/jo1013977","","","0.71073","MoKα","","0.0481","0.035","","","0.0907","0.0993","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025785","17.1302","0.0008","11.1791","0.0005","23.5654","0.0011","90","","90","","90","","4512.8","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,2,4,5-Tetrakis-(2,2-dibromocyclopropyl)-benzene","","- C18 H14 Br8 -","- C18 H14 Br8 -","- C144 H112 Br64 -","8","1","","Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker","Efforts toward Distorted Spiropentanes","Journal of Organic Chemistry","2010","75","","7494","7497","10.1021/jo1017298","","","0.71073","MoKα","","0.0502","0.0281","","","0.0571","0.0616","","","","","","0.998","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025791","14.106","0.016","15.139","0.011","16.168","0.013","90","","90","","90","","3453","5","296.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C184 H152 N8 O16 -","8","1","","Noriko Okamoto; Kei Takeda; Reiko Yanada","Platinum-Catalyzed, One-Pot Tandem Synthesis of Indoles and Isoquinolines via Sequential Rearrangement of Amides and Aminocyclization","Journal of Organic Chemistry","2010","75","","7615","7625","10.1021/jo101347f","","","0.71075","MoK'a","","","0.0359","","","","0.0433","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025834","7.5332","0.0012","18.566","0.003","33.103","0.005","90","","90","","90","","4629.8","1.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C29 H27 N O4 -","- C29 H27 N O4 -","- C232 H216 N8 O32 -","8","1","","Antonio Leyva-Pérez; Jose R. Cabrero-Antonino; Ángel Cantín; Avelino Corma","Gold(I) Catalyzes the Intermolecular Hydroamination of Alkynes with Imines and Produces α,α',N-Triarylbisenamines: Studies on Their Use As Intermediates in Synthesis","Journal of Organic Chemistry","2010","75","","7769","7780","10.1021/jo101674t","","x-ray","0.7107","MoKα","","0.1325","0.0652","","","0.1312","0.1698","","","","","","1.016","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025835","9.9479","0.0015","15.727","0.002","19.8","0.003","90","","90","","90","","3097.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Andria M. Panagopoulos; Matthias Zeller; Daniel P. Becker","Synthesis of an ortho-Triazacyclophane:N,N',N''-Trimethyltribenzo-1,4,7-triazacyclononatriene","Journal of Organic Chemistry","2010","75","","7887","7892","10.1021/jo1017074","","","0.71073","MoKα","","0.0972","0.0521","","","0.1043","0.1191","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025874","13.3258","0.0007","18.9082","0.0009","29.0052","0.0015","90","","90","","90","","7308.4","0.6","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N3 O -","- C20 H23 N3 O -","- C320 H368 N48 O16 -","16","2","","Lisa M. Jordan; Paul D. Boyle; Andrew L. Sargent; William E. Allen","Binding of Carboxylic Acids by Fluorescent Pyridyl Ureas","Journal of Organic Chemistry","2010","75","","8450","8456","10.1021/jo101730w","","","0.71073","MoKα","","0.1402","0.092","","","0.256","0.3037","","","","","","1.027","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025904","10.9224","0.0006","7.7301","0.0004","34.5866","0.0018","90","","90","","90","","2920.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","1","","Sukalyan Bhadra; Laksmikanta Adak; Subhas Samanta; A. K. M. Maidul Islam; Manabendra Mukherjee; Brindaban C. Ranu","Alumina-Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4-Benzoxazines and 1,4-Benzodioxanes","Journal of Organic Chemistry","2010","75","","8533","8541","10.1021/jo101916e","","","0.71073","MoKα","","0.0537","0.0365","","","0.1071","0.1216","","","","","","0.903","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025931","14.528","0.002","13.544","0.002","21.691","0.003","90","","90","","90","","4268.1","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br N O3 -","- C22 H30 Br N O3 -","- C176 H240 Br8 N8 O24 -","8","1","","Ya-Ping Xue; Wei-Dong Z. Li","Formal Total Synthesis of (\±)-Estrone via the Furano Diene Approach","Journal of Organic Chemistry","2011","76","","57","64","10.1021/jo1015486","","","0.71073","MoKα","","0.1615","0.0772","","","0.2","0.2495","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025940","7.08444","0.0001","13.3213","0.0002","31.0102","0.0004","90","","90","","90","","2926.56","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Br F4 O3 -","- C15 H13 Br F4 O3 -","- C120 H104 Br8 F32 O24 -","8","1","","Karl J. Bonney; D. Christopher Braddock; Andrew J. P. White; Muhammad Yaqoob","Intramolecular Bromonium Ion Assisted Epoxide Ring-Opening: Capture of the Oxonium Ion with an Added External Nucleophile","Journal of Organic Chemistry","2011","76","","97","104","10.1021/jo101617h","","","1.54184","CuKα","","0.0372","0.0313","","","0.0853","0.0887","","","","","","1.069","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4026076","9.6025","0.0002","17.6676","0.0004","20.1254","0.0004","90","","90","","90","","3414.34","0.13","104","2","104","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","none","1R(S), 2S(R), 11S(R), 12R(S), 16R(S)- 16-benzoyl-3-oxaheptacyclo [10.2.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^17,18^] octadec-13-ene-10-one","","- C24 H22 O3 -","- C24 H22 O3 -","- C192 H176 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0511","0.0453","","","0.1237","0.1307","","","","","","1.055","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026128","12.513","0.0003","12.6052","0.0003","19.5281","0.0005","90","","90","","90","","3080.15","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shu-Chun Zhao; Xing-Zhong Shu; Ke-Gong Ji; An-Xi Zhou; Ting He; Xue-Yuan Liu; Yong-Min Liang","Pd(0)-Catalyzed [1,5]-Sigmatropic Hydrogen Shift of Propargylic Esters toward Substituent Naphthylamines","Journal of Organic Chemistry","2011","76","","1941","1944","10.1021/jo1024267","","","0.71073","MoKα","","0.0673","0.039","","","0.0892","0.1031","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026153","12.7109","0.0007","17.8216","0.001","19.5965","0.0011","90","","90","","90","","4439.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(R)-5-(N-tert-Butoxycarbonyl)-[(S)-(2-methoxyphenylamino)- (phenyl)methyl]-1H-pirrol-2(5H)one","","- C23 H26 N2 O4 -","- C23 H26 N2 O4 -","- C184 H208 N16 O32 -","8","1","","Claudio Curti; Lucia Battistini; Beatrice Ranieri; Giorgio Pelosi; Gloria Rassu; Giovanni Casiraghi; Franca Zanardi","anti-Selective, Catalytic Asymmetric Vinylogous Mukaiyama Mannich Reactions of Pyrrole-Based Silyl Dienolates with N-Aryl Aldimines","Journal of Organic Chemistry","2011","76","","2248","2252","10.1021/jo1021234","","","0.71073","MoKα","","0.1137","0.051","","","0.1518","0.1872","","","","","","0.822","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026233","9.3845","0.001","11.3527","0.0012","27.088","0.003","90","","90","","90","","2885.9","0.5","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H19 B10 N O -","- C8 H19 B10 N O -","- C64 H152 B80 N8 O8 -","8","1","","Rashmirekha Satapathy; Barada Prasanna Dash; Chong Zheng; John A. Maguire; Narayan S. Hosmane","Carboranylpyrroles: A Synthetic Investigation","Journal of Organic Chemistry","2011","76","","3562","3565","10.1021/jo2000463","","","0.71073","MoKα","","0.1012","0.101","","","0.1817","0.1818","","","","","","1.498","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026269","9.9089","0.0004","16.8338","0.0007","17.9452","0.0007","90","","90","","90","","2993.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Ring-Rearrangement Metathesis of 1-Substituted 7-Azanorbornenes as an Entry to 1-Azaspiro[4.5]decane systems","Journal of Organic Chemistry","2011","76","","3381","3391","10.1021/jo200321t","","","0.71073","MoKα","","0.1032","0.0537","","","0.1243","0.1508","","","","","","1.018","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026280","6.7062","0.0004","23.8749","0.0015","42.484","0.003","90","","90","","90","","6802.1","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 B F2 N3 O -","- C20 H15.837 B F2 N3 O1.003 -","- C320 H253.392 B16 F32 N48 O16.048 -","16","2","","Yuting Chen; Hailong Wang; Liang Wan; Yongzhong Bian; Jianzhuang Jiang","8-Hydroxyquinoline-Substituted Boron-Dipyrromethene Compounds: Synthesis, Structure, and OFF-ON-OFF Type of pH-Sensing Properties","Journal of Organic Chemistry","2011","76","","3774","3781","10.1021/jo200050a","","","0.71073","MoKα","","0.1176","0.1048","","","0.2163","0.2227","","","","","","1.179","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026282","13.1526","0.0004","15.4333","0.0005","38.6669","0.0011","90","","90","","90","","7848.9","0.4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N3 O S2 -","- C20 H21 N3 O S2 -","- C320 H336 N48 O16 S32 -","16","2","","Alan R. Katritzky; Davit Jishkariani; Rajeev Sakhuja; C. Dennis Hall; Peter J. Steel","Carbene-Mediated Transformations of 1-(Benzylideneamino)benzimidazoles","Journal of Organic Chemistry","2011","76","","4082","4087","10.1021/jo200088s","","","0.71073","MoKα","","0.0918","0.0744","","","0.1633","0.1708","","","","","","1.19","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026358","14.1009","0.0003","12.1784","0.0002","17.5284","0.0004","90","","90","","90","","3010.09","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Br N O -","- C16 H20 Br N O -","- C128 H160 Br8 N8 O8 -","8","1","","Andrew J. Clark; Dennis P. Curran; Joanna V. Geden; Natalie James; Paul Wilson","Bond Rotation Dynamics of Enamides: The Effect of the Acyl Group and Potential for Chirality Transfer during 5-Endo Trig Radical Cyclizations","Journal of Organic Chemistry","2011","76","","4546","4551","10.1021/jo200343z","","","0.71073","MoKα","","0.0606","0.0368","","","0.0909","0.0948","","","","","","1.038","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026391","8.7111","0.0017","8.7795","0.0017","19.621","0.004","90","","90","","90","","1500.6","0.5","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,11-bis(methylthio)tetracene","","- C20 H16 S2 -","- C20 H16 S2 -","- C80 H64 S8 -","4","0.5","","Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi","Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties","Journal of Organic Chemistry","2011","76","","5018","5025","10.1021/jo200696a","","","0.71073","MoKα","","0.0518","0.0428","","","0.1186","0.1247","","","","","","1.113","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026415","13.169","0.009","7.432","0.002","14.718","0.009","90","","90","","90","","1440.5","1.4","123","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O S -","- C8 H8 O S -","- C64 H64 O8 S8 -","8","1","","Takahisa Machiguchi; Toshio Hasegawa; Hideki Saitoh; Shinichi Yamabe; Shoko Yamazaki","Solid-State Thiotropolone: An Extremely Rapid Intramolecular Proton Transfer","Journal of Organic Chemistry","2011","76","","5457","5460","10.1021/jo2005796","","","1.54184","CuKα","","","0.073","","","0.077","","","","","2.026","2.026","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026425","7.3229","0.0018","6.0225","0.0015","19.985","0.005","90","","90","","90","","881.4","0.4","143","1","143","1","","","","","","","","2","P b c a","-P 2ac 2ab","61","2,6-dimethylnaphthalene","","","- C12 H12 -","- C12 H12 -","- C48 H48 -","4","0.5","","Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory","Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements","Journal of Organic Chemistry","2011","76","","5170","5176","10.1021/jo2006818","","","0.71073","MoKα","","0.0495","0.0385","","","0.1026","0.1106","","","","","","1.059","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026530","15.8125","0.0006","8.2142","0.0002","24.8634","0.0008","90","","90","","90","","3229.43","0.18","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C144 H112 N32 O40 -","8","1","","Anna M. Said; G. Paul Savage","Atropisomerism-Induced Facial Selectivity in Nitrile Oxide Cycloadditions with 5-Methylenehydantoins","Journal of Organic Chemistry","2011","76","","6946","6950","10.1021/jo2011818","","","0.71073","MoKα","","0.0512","0.0411","","","0.1012","0.1079","","","","","","1.031","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026562","7.4737","0.0014","12.984","0.002","23.026","0.004","90","","90","","90","","2234.4","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","1","","Maria A. Povalyakhina; Alexander S. Antonov; Olga V. Dyablo; Valery A. Ozeryanskii; Alexander F. Pozharskii","H-Bond-Assisted Intramolecular Nucleophilic Displacement of the 1-NMe2 Group in 1,8-Bis(dimethylamino)naphthalenes as a Route to Multinuclear Heterocyclic Compounds and Strained Naphthalene Derivatives","Journal of Organic Chemistry","2011","76","","7157","7166","10.1021/jo201171z","","","0.71073","MoKα","","0.0676","0.0532","","","0.1019","0.1087","","","","","","1.001","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026584","7.532","0.0004","15.8313","0.0008","18.9055","0.001","90","","90","","90","","2254.3","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","12,12-Dibromotetracyclo[6.3.1.0^1,8^.0^2,6^]dodec-2(6)-en-7-one","","- C12 H12 Br2 O -","- C12 H12 Br2 O -","- C96 H96 Br16 O8 -","8","1","","Kuan-Jen Su; Mirjana Pačar; Jean-Luc Mieusset; Vladimir B. Arion; Udo H. Brinker","Quest for Even Higher Stabilized Foiled Carbenes","Journal of Organic Chemistry","2011","76","","7491","7496","10.1021/jo201308a","","","0.71073","MoKα","","0.0427","0.0226","","","0.0475","0.0551","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026644","9.5579","0.0019","14.88","0.003","23.185","0.005","90","","90","","90","","3297.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H38 N6 -","- C40 H38 N6 -","- C160 H152 N24 -","4","0.5","","Brian S. Young; Felix Köhler; Rainer Herges; Michael M. Haley","Phenanthrene-Fused Azo-ene-ynes: Synthesis of Dibenzo[f,h]cinnoline and Dibenzo[e,g]isoindazole Derivatives","Journal of Organic Chemistry","2011","76","","8483","8487","10.1021/jo201378t","","","0.71073","MoKα","","0.0607","0.0433","","","0.0992","0.1104","","","","","","1.045","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026795","25.823","0.008","25.671","0.009","26.199","0.009","90","","90","","90","","17367","10","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H68 N8 O4 -","- C45 H66 N8 O4 -","- C720 H1056 N128 O64 -","16","2","","Tapas Guchhait; Ganesan Mani","Dipyrrolylmethane-based Macrobicyclic Azacryptand: Synthesis, X-ray Structures, Conformational and Anion Binding Properties","Journal of Organic Chemistry","2011","76","","10114","10121","10.1021/jo201969f","","","1.54178","CuKα","","0.1356","0.0694","","","0.1253","0.1467","","","","","","1.033","","","","has coordinates,has disorder","178446","2020-10-21","18:00:00",""
"4026844","24.3175","0.0005","22.5604","0.0005","27.6744","0.0006","90","","90","","90","","15182.5","0.6","99","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Diethyl ether)tris(tetrahydrofuran)lithium (diethyl ether)lithium tris[(4,4'-bis(1,1- dimethylethyl)biphenyl-2,2'-diyl]zirconate(IV) (diethyl ether) hemisolvate","","","- C82 H121 Li2 O5.5 Zr -","- C82 H121 Li2 O5.5 Zr -","- C656 H968 Li16 O44 Zr8 -","8","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0782","0.05","","","0.1292","0.1428","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026870","8.9673","0.0002","18.5999","0.0004","24.5171","0.0006","90","","90","","90","","4089.23","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C176 H288 O32 -","16","2","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0624","0.0425","","","0.1153","0.1473","","","","","","1.055","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026937","11.8147","0.0003","13.0024","0.0003","14.156","0.0003","90","","90","","90","","2174.64","0.09","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 F O3 -","- C14 H13 F O3 -","- C112 H104 F8 O24 -","8","1","","Michael T. Scerba; Steven Bloom; Nathan Haselton; Maxime Siegler; Jake Jaffe; Thomas Lectka","Interaction of a C-F Bond with the π-System of a C=C Bond or ""Head On"" with a Proximate C-H Bond","Journal of Organic Chemistry","2012","77","","1605","1609","10.1021/jo2024152","","","0.71073","MoKα","","0.0557","0.0393","","","0.0957","0.1012","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026948","13.42","0.002","7.6711","0.0013","25.275","0.004","90","","90","","90","","2602","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0743","0.0503","","","0.1101","0.1209","","","","","","1.052","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026972","10.477","0.002","15.019","0.0018","13.2317","0.0014","90","","90","","90","","2082.1","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3a,6,7a-Tetramethyltetrahydro-3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","1.5418","CuKα","","0.0654","0.0502","","","0.1249","0.1368","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026984","15.4444","0.0007","15.8126","0.0005","16.7857","0.0009","90","","90","","90","","4099.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.1272","0.0655","","","0.1244","0.1451","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026987","15.6955","0.0015","11.4214","0.001","24.763","0.002","90","","90","","90","","4439.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 O2 Si -","- C25 H28 O2 Si -","- C200 H224 O16 Si8 -","8","1","","Chengyu Wang; Yifeng Chen; Xin Xie; Jun Liu; Yuanhong Liu","Gold-Catalyzed Furan/Yne Cyclizations for the Regiodefined Assembly of Multisubstituted Protected 1-Naphthols","Journal of Organic Chemistry","2012","77","","1915","1921","10.1021/jo202541p","","","0.71073","MoKα","","0.0685","0.0533","","","0.1261","0.1354","","","","","","1.074","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4027024","10.1204","0.0012","17.7","0.002","26.514","0.004","90","","90","","90","","4749.5","1.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C184 H280 N8 O64 -","8","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.1108","","","","0.3432","","","","","","1.112","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027074","9.7385","0.0004","11.6917","0.0006","41.5907","0.0019","90","","90","","90","","4735.5","0.4","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H39 N -","- C30 H39 N -","- C240 H312 N8 -","8","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","1.54178","CuKα","","0.063","0.053","","","0.132","0.138","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027255","9.929","0.004","18.23","0.006","21.043","0.007","90","","90","","90","","3809","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0465","0.0448","","","0.1002","0.1013","","","","","","1.172","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027275","21.383","0.004","9.84","0.002","7.4392","0.0015","90","","90","","90","","1565.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C56 H56 N24 O8 S8 -","8","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0717","0.0543","","","0.1566","0.1708","","","","","","1.078","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027286","11.4395","0.0016","10.344","0.0014","29.606","0.003","90","","90","","90","","3503.3","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C208 H152 N8 O16 -","8","1","","Heinz Langhals; Christian Dietl; Andreas Zimpel; Peter Mayer","Noncovalent Control of Absorption and Fluorescence Spectra","Journal of Organic Chemistry","2012","77","","5965","5970","10.1021/jo300540h","","","0.71073","MoKα","","0.1209","0.0605","","","0.1142","0.137","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027317","10.9425","0.0002","14.361","0.0004","26.7154","0.0007","90","","90","","90","","4198.2","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B O P -","- C26 H24 B O P -","- C208 H192 B8 O8 P8 -","8","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0782","0.0559","","","0.1388","0.1548","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027335","8.8631","0.0005","19.8424","0.0014","25.717","0.002","90","","90","","90","","4522.7","0.5","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-(1-pyrene)-1,3-diphenylfulvene","6-(1-pyrene)-1,3-diphenylfulvene","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0499","0.0375","","","0.0844","0.0924","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027341","8.2998","0.0007","12.7159","0.0011","24.849","0.002","90","","90","","90","","2622.5","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 I N4 -","- C14 H11 I N4 -","- C112 H88 I8 N32 -","8","1","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0219","0.0177","","","0.041","0.0435","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027386","8.9009","0.0008","17.725","0.0017","28.318","0.003","90","","90","","90","","4467.7","0.8","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 O2 -","- C31 H22 O2 -","- C248 H176 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1487","0.0673","","","0.1623","0.198","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027440","11.27558","0.00011","17.01873","0.00018","20.3064","0.0002","90","","90","","90","","3896.72","0.07","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 F N O -","- C24 H26 F N O -","- C192 H208 F8 N8 O8 -","8","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","1.54184","CuKα","","0.0442","0.0372","","0.0967","0.0907","0.0967","","","","","","0.9959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027452","19.4403","0.0016","7.8778","0.0007","23.408","0.002","90","","90","","90","","3584.9","0.5","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C176 H144 F8 N8 O16 S8 -","8","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0869","0.0455","","","0.1165","0.1555","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027463","17.7159","0.0018","9.6703","0.0009","29.114","0.003","90","","90","","90","","4987.8","0.9","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Br Cl F N2 O -","- C28 H23 Br Cl F N2 O -","- C224 H184 Br8 Cl8 F8 N16 O8 -","8","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1201","0.0557","","","0.1372","0.1549","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027519","11.0264","0.0003","12.8797","0.0003","14.4734","0.0003","90","","90","","90","","2055.46","0.09","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Sabine Strobel; Thomas Schleid; Uwe Beifuss","Cu-Catalyzed Reaction of 1,2-Dihalobenzenes with 1,3-Cyclohexanediones for the Synthesis of 3,4-Dihydrodibenzo[b,d]furan-1(2H)-ones","Journal of Organic Chemistry","2012","77","","7793","7803","10.1021/jo3014275","","","0.71073","MoKα","","0.0803","0.0617","","","0.156","0.1716","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027544","15.0414","0.0006","8.2503","0.0003","33.904","0.0012","90","","90","","90","","4207.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H48 N4 S6 -","- C46 H48 N4 S6 -","- C184 H192 N16 S24 -","4","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0748","0.0652","","","0.1622","0.1701","","","","","","1.078","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027564","13.2473","0.0003","11.0985","0.0002","30.004","0.0007","90","","90","","90","","4411.34","0.16","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.1119","0.0538","","","0.1113","0.1354","","","","","","1.006","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027589","18.019","0.004","15.495","0.003","23.592","0.005","90","","90","","90","","6587","2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl N3 O10 -","- C32 H34 Cl N3 O10 -","- C256 H272 Cl8 N24 O80 -","8","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.1753","0.1529","","","0.3297","0.338","","","","","","1.111","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027610","10.22625","0.0001","5.79315","0.0001","16.6887","0.0003","90","","90","","90","","988.68","0.03","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TF-FT","2,2'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0315","0.0299","","","0.0793","0.0806","","","","","","1.128","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027631","9.0384","0.0003","7.883","0.0003","27.4231","0.0011","90","","90","","90","","1953.89","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br O2 -","- C10 H9 Br O2 -","- C80 H72 Br8 O16 -","8","1","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0987","0.0387","","","0.0802","0.0968","","","","","","1.015","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027673","16.439","0.002","8.9834","0.0007","18.551","0.002","90","","90","","90","","2739.6","0.5","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Takahiro Soeta; Shuhei Fujinami; Yutaka Ukaji","Chlorosilane-Promoted Addition Reaction of Isocyanides to 3,4-Dihydroisoquinoline N-Oxides","Journal of Organic Chemistry","2012","77","","9878","9883","10.1021/jo301791m","","","0.7107","MoKα","","","0.0403","","","","0.0554","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027678","7.4984","0.0001","9.8472","0.0001","25.9083","0.0003","90","","90","","90","","1913.02","0.04","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","ar99","1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.056","0.0418","","","0.115","0.1254","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027712","6.9741","0.0003","19.3326","0.0011","20.4313","0.001","90","","90","","90","","2754.7","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C128 H96 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0957","0.0484","","","0.1224","0.1533","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027714","17.3734","0.0007","8.1254","0.0004","23.7944","0.0016","90","","90","","90","","3359","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C168 H112 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0542","0.0333","","","0.0773","0.0838","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027739","13.207","0.003","8.4523","0.0018","18.886","0.004","90","","90","","90","","2108.2","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","1","","Yunhui Zheng; Xuming Li; Chengfeng Ren; Daisy Zhang-Negrerie; Yunfei Du; Kang Zhao","Synthesis of Oxazoles from Enamides via Phenyliodine Diacetate-Mediated Intramolecular Oxidative Cyclization","Journal of Organic Chemistry","2012","77","","10353","10361","10.1021/jo302073e","","","0.71073","MoKα","","0.0464","0.0378","","","0.0956","0.1012","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027740","11.4952","0.0012","6.768","0.0009","15.439","0.002","90","","90","","90","","1201.1","0.3","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","","Petar A. Duspara; Md. Sadequl Islam; Alan J. Lough; Robert A. Batey","Synthesis and Reactivity of N-Alkyl Carbamoylimidazoles: Development of N-Methyl Carbamoylimidazole as a Methyl Isocyanate Equivalent","Journal of Organic Chemistry","2012","77","","10362","10368","10.1021/jo302084a","","","0.71073","MoKα","","0.0644","0.0455","","","0.109","0.1182","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027835","8.9733","0.0018","19.948","0.004","34.123","0.007","90","","90","","90","","6108","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H44 O6 -","- C36 H44 O6 -","- C288 H352 O48 -","8","1","","Jihong Gao; Josephine Orso Simon; Russell Rodrigo; Abdeljalil Assoud","From Chiral ortho-Benzoquinone Monoketals to Nonracemic Indolinocodeines through Diels-Alder and Cope Reactions","Journal of Organic Chemistry","2013","78","","48","58","10.1021/jo3014098","","","0.71073","MoKα","","0.075","0.0607","","","0.1117","0.1158","","","","","","1.307","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027948","21.5279","0.001","14.0894","0.0005","21.8075","0.0009","90","","90","","90","","6614.5","0.5","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C256 H208 F48 N16 O48 S16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0901","0.0547","","0.0945","0.0632","0.0632","","","","","","1.1155","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028037","16.951","0.002","25.304","0.003","19.179","0.003","90","","90","","90","","8226.4","1.9","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hexakis(5-Bpinfuran-2-yl)benzene","Hexakis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-2-furyl]benzene","","- C80 H100 B6 O18 -","- C80 H100 B6 O18 -","- C320 H400 B24 O72 -","4","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0754","0.071","","","0.1916","0.1961","","","","","","1.113","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028132","10.6882","0.0002","16.7476","0.0004","18.497","0.0013","90","","90","","90","","3311","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1284","0.0847","","","0.2094","0.2388","","","","","","1.843","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028155","23.8895","0.0015","9.8805","0.0006","30.8596","0.0019","90","","90","","90","","7284.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N O -","- C25 H19 N O -","- C400 H304 N16 O16 -","16","2","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0366","0.0307","","","0.0771","0.0818","","","","","","1.03","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028219","12.0523","0.0011","7.62","0.0007","19.0289","0.0019","90","","90","","90","","1747.6","0.3","296","2","296","2","","","","","","","total synthesis","4","P b c a","-P 2ac 2ab","61","Caulibugulone A","7-(methylamino)isoquinoline-5,8-dione","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0559","0.0456","","","0.1161","0.1242","","","","","","1.156","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028338","8.7085","0.0016","12.512","0.002","31.644","0.007","90","","90","","90","","3448","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","1","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.1396","0.1143","","","0.226","0.2346","","","","","","1.285","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028373","18.333","0.004","10.937","0.002","31.096","0.006","90","","90","","90","","6235","2","100","1","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C304 H320 O48 -","16","2","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0664","0.0451","","","0.1096","0.1256","","","","","","1.039","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028377","16.6507","0.0003","8.3279","0.0001","30.7761","0.0005","90","","90","","90","","4267.58","0.12","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C240 H232 -","4","0.5","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0561","0.0432","","","0.1069","0.1181","","","","","","1.106","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028490","14.6611","0.0005","15.1611","0.0006","20.8261","0.0008","90","","90","","90","","4629.2","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C208 H216 N8 O24 S8 -","8","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0692","0.0577","","","0.1304","0.1372","","","","","","1.181","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028497","13.4787","0.0002","13.3407","0.0002","14.214","0.001","90","","90","","90","","2555.89","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0519","0.0451","","","0.1209","0.1282","","","","","","1.093","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028509","17.14511","0.00005","15.82328","0.00006","19.53876","0.00007","90","","90","","90","","5300.71","0.03","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C256 H176 F48 O32 -","16","2","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0331","0.0317","","","0.0817","0.0831","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028540","16.928","0.006","9.845","0.003","31.117","0.011","90","","90","","90","","5186","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28.75 H32 N4 O5 -","- C28.5 H32 N4 O5 -","- C228 H256 N32 O40 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.1867","0.1285","","","0.3529","0.3882","","","","","","1.253","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028542","14.162","0.005","11.289","0.004","33.764","0.011","90","","90","","90","","5398","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C224 H320 N32 O48 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0778","0.0612","","","0.1626","0.1719","","","","","","0.976","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028551","6.7212","0.0005","16.922","0.002","25.652","0.003","90","","90","","90","","2917.6","0.5","100.3","0.4","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0629","0.0541","","","0.1582","0.1703","","","","","","1.082","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028570","20.207","0.0019","16.6727","0.0016","31.039","0.003","90","","90","","90","","10457.2","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H63 Cl2 N8 O16 -","- C47 H63 Cl2 N8 O16 -","- C376 H504 Cl16 N64 O128 -","8","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.0683","0.0477","","","0.1302","0.1482","","","","","","1.09","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028606","16.0473","0.0006","8.2489","0.0003","28.1693","0.0011","90","","90","","90","","3728.8","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N6 S2 -","- C18 H18 N6 S2 -","- C144 H144 N48 S16 -","8","1","","Andréanne Bolduc; Abelaziz Al Ouahabi; Charlotte Mallet; W. G. Skene","Insight into the Isoelectronic Character of Azomethines and Vinylenes Using Representative Models: A Spectroscopic and Electrochemical Study","Journal of Organic Chemistry","2013","78","","9258","9269","10.1021/jo401497z","","","1.54178","CuKα","","0.0651","0.0541","","","0.1413","0.1467","","","","","","1.009","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028651","16.3251","0.0004","6.732","0.0002","21.6139","0.0005","90","","90","","90","","2375.38","0.11","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C120 H80 N32 -","8","1","","Styliana I. Mirallai; Manolis J. Manos; Panayiotis A. Koutentis","One-Step Conversion of 2-Amino-N'-arylbenzamidines into 3-Aryl-4-imino-3,4-dihydroquinazoline-2-carbonitriles Using 4,5-Dichloro-1,2,3-dithiazolium Chloride","Journal of Organic Chemistry","2013","78","","9906","9913","10.1021/jo401648t","","","0.71073","MoKα","","0.0425","0.0363","","","0.1096","0.1119","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028695","14.0817","0.0014","9.5974","0.001","23.03","0.002","90","","90","","90","","3112.5","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0558","0.043","","","0.1363","0.1489","","","","","","1.137","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028734","14.8934","0.0008","11.7913","0.0006","19.2041","0.0018","90","","90","","90","","3372.5","0.4","301.19","0.1","301.19","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C144 H184 N16 O32 -","8","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","1.5418","CuKα","","0.0499","0.0379","","","0.0988","0.1085","","","","","","1.023","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028790","11.6208","0.0007","8.9292","0.0006","31.995","0.002","90","","90","","90","","3319.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0631","0.0502","","","0.1617","0.1728","","","","","","1.433","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028886","7.5666","0.0006","20.5185","0.0017","21.166","0.0018","90","","90","","90","","3286.1","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0611","0.0502","","","0.1308","0.1386","","","","","","1.051","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028908","14.316","0.011","7.443","0.006","31.78","0.03","90","","90","","90","","3386","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2R,3R,E)-2-cyano-2,3,4-trimethylhex-4-enyl 4-nitrobenzoate","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","","Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.","Metalated Nitriles: Internal 1,2-Asymmetric Induction","The Journal of Organic Chemistry","2008","73","7","2803","2810","10.1021/jo702681e","","","0.71073","MoKα","","0.055","0.0436","","","0.1358","0.1517","","","","","","0.929","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028935","8.2939","0.0005","12.875","0.0006","27.3006","0.0014","90","","90","","90","","2915.3","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C144 H96 N16 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0508","0.0471","","","0.1126","0.1149","","","","","","1.122","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028944","11.4248","0.0008","15.8816","0.0011","21.3075","0.0016","90","","90","","90","","3866.1","0.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C176 H168 N24 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0982","0.0649","","","0.1319","0.1445","","","","","","1.104","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028945","7.0163","0.001","13.875","0.002","39.05","0.005","90","","90","","90","","3801.6","0.9","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 O5 -","- C21 H18 N4 O5 -","- C168 H144 N32 O40 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0558","0.0455","","","0.1123","0.119","","","","","","1.035","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028987","35.284","0.016","11.135","0.005","7.735","0.003","90","","90","","90","","3039","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C144 H104 F24 O16 -","8","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","1.54187","CuKα","","","0.0843","","","","0.2637","","","","","","1.027","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028991","6.0161","0.0004","14.424","0.002","21.643","0.003","90","","90","","90","","1878.1","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Eske, Angelika; Goldfuss, Bernd; Griesbeck, Axel G.; de Kiff, Alan; Kleczka, Margarethe; Leven, Matthias; Neudörfl, Jörg-M; Vollmer, Moritz","Ene-diene transmissive cycloaddition reactions with singlet oxygen: the vinylogous gem effect and its use for polyoxyfunctionalization of dienes.","The Journal of organic chemistry","2014","79","4","1818","1829","10.1021/jo5000434","","","0.71073","MoKα","","0.0915","0.0399","","","0.0691","0.0785","","","","","","1.008","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4029031","8.5026","0.0004","18.063","0.0008","18.5086","0.0011","90","","90","","90","","2842.6","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl3 N O -","- C13 H12 Cl3 N O -","- C104 H96 Cl24 N8 O8 -","8","1","","Xie, Yuanzhen; Yu, Kai; Gu, Zhenhua","Stereoselective Synthesis of 1,3-Amino Alcohols by the Pd-Catalyzed Cyclization of Trichloroacetimidates.","The Journal of organic chemistry","2014","79","3","1289","","10.1021/jo402681z","","","0.71073","MoKα","","0.0509","0.0385","","","0.0881","0.0948","","","","","","1.017","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029075","13.4267","0.0002","17.8534","0.0003","20.7231","0.0003","90","","90","","90","","4967.58","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C192 H256 N16 O48 -","8","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","1.54178","CuKα","","0.0552","0.0526","","","0.1587","0.1627","","","","","","1.029","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029097","19.8575","0.0009","7.0316","0.0003","27.9026","0.0013","90","","90","","90","","3896","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","072-1","","","- C24 H14 N4 O4 -","- C24 H14 N4 O4 -","- C192 H112 N32 O32 -","8","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.074","0.0475","","","0.1008","0.112","","","","","","1.033","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029201","8.635","0.002","14.029","0.004","28.189","0.007","90","","90","","90","","3414.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.","Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.","The Journal of organic chemistry","2014","79","6","2601","2610","10.1021/jo500050n","","","0.71073","MoKα","","0.0339","0.0308","","","0.0804","0.083","","","","","","1.05","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029224","12.2122","0.0004","9.272","0.0002","19.8137","0.0008","90","","90","","90","","2243.54","0.13","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","0.5","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.1065","0.0755","","0.1627","0.1504","0.1627","","","","","","1.0193","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029226","11.2581","0.0013","22.546","0.003","34.795","0.004","90","","90","","90","","8831.8","1.9","293","2","293","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl F N O2 S -","- C23 H21 Cl F N O2 S -","- C368 H336 Cl16 F16 N16 O32 S16 -","16","2","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0904","0.0603","","","0.1713","0.1989","","","","","","0.994","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029250","9.4499","0.0011","14.5191","0.0014","24.11","0.002","90","","90","","90","","3308","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of Naphthalene Amino Esters by the Blaise Reaction of o-Alkynylarenenitriles.","The Journal of organic chemistry","2014","79","7","3244","3248","10.1021/jo500137m","","","0.71073","MoKα","","0.108","0.0603","","","0.1372","0.162","","","","","","1.013","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4029390","21.8256","0.001","10.1693","0.0004","25.5637","0.0011","90","","90","","90","","5673.9","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H38 N2 O3 -","- C34 H38 N2 O3 -","- C272 H304 N16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.1759","0.0767","","","0.1766","0.2146","","","","","","0.948","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029402","20.42","0.0008","10.0168","0.0004","23.6874","0.001","90","","90","","90","","4845.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 F2 O3 -","- C30 H26 F2 O3 -","- C240 H208 F16 O24 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.0548","0.037","","","0.0864","0.0973","","","","","","1.023","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029543","16.817","0.003","7.2309","0.0013","30.961","0.005","90","","90","","90","","3764.9","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C168 H168 N8 O40 -","8","1","","Thomson, Jennifer E.; Campbell, Craig D.; Concellón, Carmen; Duguet, Nicolas; Rix, Kathryn; Slawin, Alexandra M. Z.; Smith, Andrew D.","Probing the efficiency of N-heterocyclic carbene promoted O- to C-carboxyl transfer of oxazolyl carbonates.","The Journal of organic chemistry","2008","73","7","2784","2791","10.1021/jo702720a","","","1.54178","CuKα","","0.1078","0.0876","","","0.2081","0.2256","","","","","","1.111","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029593","14.9459","0.0004","19.7129","0.0005","36.9458","0.001","90","","90","","90","","10885.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H31 Cl2 F5 O9 -","- C79 H31 Cl2 F5 O9 -","- C632 H248 Cl16 F40 O72 -","8","1","","Liang, Sisi; Xu, Liang; Jia, Zhenshan; Gan, Liangbing","Pentafluorophenyl Transfer Reaction: Preparation of Pentafluorophenyl [60]Fullerene Adducts through Opening of Fullerene Epoxide Moiety with Trispentafluorophenylborane.","The Journal of organic chemistry","2014","79","12","5794","5798","10.1021/jo5009228","","","0.7107","MoKα","","0.0857","0.0615","","","0.1443","0.1589","","","","","","1.043","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029610","11.2819","0.0003","16.3676","0.0004","23.2672","0.0016","90","","90","","90","","4296.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rac-(R)-tert-butyl 2-((R)-2-acetyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl)- 5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Janody, Simon; Hermange, Philippe; Retailleau, Pascal; Thierry, Josiane; Dodd, Robert H.","Diastereoselective Three-Component Vinylogous Mannich Reaction of Nitrogen Heterocycles, Acyl/Sulfonyl Chlorides, and Silyloxyfurans/pyrroles.","The Journal of organic chemistry","2014","79","12","5673","5683","10.1021/jo500827j","","","1.54187","CuKα","","0.0888","0.0661","","","0.167","0.1877","","","","","","1.133","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029655","14.027","0.006","14.923","0.005","22.626","0.01","90","","90","","90","","4736","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 N3 O3 S -","- C27 H25 N3 O3 S -","- C216 H200 N24 O24 S8 -","8","1","","Ilyn, Alexey P.; Loseva, Marina V.; Vvedensky, Vladimir Y.; Putsykina, Elena B.; Tkachenko, Sergey E.; Kravchenko, Dmitri V.; Khvat, Alexandr V.; Krasavin, Mikhail Y.; Ivachtchenko, Alexandre V.","One-step assembly of carbamoyl-substituted heteroannelated [1,4]thiazepines.","The Journal of organic chemistry","2006","71","7","2811","2819","10.1021/jo052640w","","","0.71073","MoKα","","0.1842","0.0544","","","0.0697","0.0855","","","","","","0.953","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029673","17.9928","0.0015","7.7886","0.0007","20.839","0.0019","90","","90","","90","","2920.4","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O S -","- C18 H16 O S -","- C144 H128 O8 S8 -","8","1","","Roy, Rimi; Rakshit, Soumyadipta; Bhowmik, Tanmoy; Khan, Sagar; Ghatak, Avishek; Bhar, Sanjay","Substituted 3-E-Styryl-2H-chromenes and 3-E-Styryl-2H-thiochromenes: Synthesis, Photophysical Studies, Anticancer Activity, and Exploration to Tricyclic Benzopyran Skeleton.","The Journal of organic chemistry","2014","79","14","6603","6614","10.1021/jo5011125","","","0.71073","MoKα","","0.0915","0.0484","","","0.1071","0.1251","","","","","","1.016","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029727","15.0761","0.0019","10.72","0.0013","23.726","0.003","90","","90","","90","","3834.5","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N3 O4 -","- C23 H23 N3 O4 -","- C184 H184 N24 O32 -","8","1","","Jakubec, Pavol; Cockfield, Dane M.; Helliwell, Madeleine; Raftery, James; Dixon, Darren J.","Stereoselective, nitro-Mannich/lactamisation cascades for the direct synthesis of heavily decorated 5-nitropiperidin-2-ones and related heterocycles.","Beilstein journal of organic chemistry","2012","8","","567","578","10.3762/bjoc.8.64","","","0.71073","MoKα","","0.0718","0.0416","","","0.093","0.1026","","","","","","0.891","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029740","16.1371","0.0005","17.2078","0.0005","21.6306","0.0005","90","","90","","90","","6006.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H53 N4 Na Zn -","- C27 H53 N4 Na Zn -","- C216 H424 N32 Na8 Zn8 -","8","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0787","0.0371","","","0.0806","0.0853","","","","","","0.881","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029879","10.1979","0.0003","15.8821","0.0004","21.6227","0.0008","90","","90","","90","","3502.1","0.19","291","2","291.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Li, Pengfei; Cheng, Guolin; Zhang, Hong; Xu, Xianxiang; Gao, Jingyuan; Cui, Xiuling","Copper-Catalyzed One-Pot Synthesis of Unsymmetrical Arylurea Derivatives via Tandem Reaction of Diaryliodonium Salts with N-Arylcyanamide.","The Journal of organic chemistry","2014","79","17","8156","8162","10.1021/jo501334u","","","1.54184","CuKα","","0.0626","0.045","","","0.1145","0.1256","","","","","","1.026","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029933","19.096","0.002","8.8874","0.001","24.908","0.003","90","","90","","90","","4227.2","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C176 H176 N48 O16 -","16","2","","Rajam, Sridhar; Jadhav, Abhijit V.; Li, Qian; Sarkar, Sujan K.; Singh, Pradeep N. D.; Rohr, Ahleah; Pace, Tamara C. S.; Li, Rui; Krause, Jeanette A.; Bohne, Cornelia; Ault, Bruce S.; Gudmundsdottir, Anna D.","Triplet sensitized photolysis of a vinyl azide: direct detection of a triplet vinyl azide and nitrene.","The Journal of organic chemistry","2014","79","19","9325","9334","10.1021/jo501898p","","","0.7749","synchrotron","","0.0503","0.0395","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029977","12.0741","0.0008","13.1671","0.0008","22.1093","0.0014","90","","90","","90","","3515","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","trp030514","trp030514","","- C20 H24 N O3 -","- C20 H24 N O3 -","- C160 H192 N8 O24 -","8","1","","Porter, Thomas R.; Kaminsky, Werner; Mayer, James M.","Preparation, structural characterization, and thermochemistry of an isolable 4-arylphenoxyl radical.","The Journal of organic chemistry","2014","79","20","9451","9454","10.1021/jo501531a","","","0.71073","MoKα","","0.0571","0.0397","","","0.0965","0.1058","","","","","","1.012","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4030062","7.576","0.0005","18.9865","0.0012","25.0328","0.0016","90","","90","","90","","3600.8","0.4","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","1","","Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong","Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes.","The Journal of organic chemistry","2014","79","23","11301","11315","10.1021/jo5020195","","","0.71073","MoKα","","0.0805","0.0571","","","0.1412","0.1551","","","","","","1.036","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030070","14.0334","0.0009","10.0587","0.0007","23.4532","0.0015","90","","90","","90","","3310.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C152 H152 N8 O16 S8 -","8","1","","Huang, Fei; Wu, Ping; Wang, Liandi; Chen, Jiping; Sun, Chenglin; Yu, Zhengkun","Copper-Mediated Intramolecular Oxidative C-H/C-H Cross-Coupling of α-Oxo Ketene N,S-Acetals for Indole Synthesis.","The Journal of organic chemistry","2014","79","21","10553","","10.1021/jo5014542","","","0.71073","MoKα","","0.0476","0.0365","","","0.0975","0.1043","","","","","","1.056","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030142","22.652","0.006","11.965","0.003","23.937","0.007","90","","90","","90","","6488","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H78 N28 O30 -","- C42 H54 N26 O24 -","- C168 H216 N104 O96 -","4","0.5","","Yang, Bo; Zheng, Li-Mei; Gao, Zhong-Zheng; Xiao, Xin; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Wei, Gang","Extended and contorted conformations of alkanediammonium ions in symmetrical α,α',δ,δ'-tetramethylcucurbit[6]uril cavity.","The Journal of organic chemistry","2014","79","22","11194","11198","10.1021/jo502255x","","","0.71073","MoKα","","0.0831","0.0582","","","0.1795","0.1968","","","","","","1.018","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030325","15.8984","0.0004","12.9658","0.0003","19.5357","0.0005","90","","90","","90","","4027","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 2-(2,3-diphenyl-1H-indol-1-yl)malonate","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Novikov, Mikhail S.; Khlebnikov, Alexander F.; Rostovskii, Nikolai V.; Tcyrulnikov, Sergei; Suhanova, Anna A.; Zavyalov, Kirill V.; Yufit, Dmitry S.","Pseudopericyclic 1,5- versus Pericyclic 1,4- and 1,6-Electrocyclization in Electron-Poor 4-Aryl-2-azabuta-1,3-dienes: Indole Synthesis from 2H-Azirines and Diazo Compounds.","The Journal of organic chemistry","2014","80","1","18","","10.1021/jo501051n","","","0.71073","MoKα","","0.0766","0.0414","","","0.0883","0.1109","","","","","","1.06","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030330","20.8235","0.0004","7.2405","0.0001","24.6478","0.0004","90","","90","","90","","3716.21","0.11","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C168 H160 Cl8 N8 O24 -","8","1","","Wang, Long; Ren, Zhi-Lin; Ding, Ming-Wu","Synthesis of 2,3-Dihydro-1H-2-benzazepin-1-ones and 3H-2-Benzoxepin-1-ones by Isocyanide-Based Multicomponent Reaction/Wittig Sequence Starting from Phosphonium Salt Precursors.","The Journal of organic chemistry","2014","80","1","641","","10.1021/jo502275f","","","1.54178","CuKα","","0.0359","0.0341","","","0.0897","0.0913","","","","","","1.119","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030341","18.837","0.002","11.148","0.002","10.952","0.001","90","","90","","90","","2299.9","0.5","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- F16 Ni Xe2 -","- F16 Ni Xe2 -","- F128 Ni8 Xe16 -","8","1","","Jesih, A.; Lutar, K.; Leban, I.; Zemva, B.","Vibrational spectra and crystal structure of (XeF5)2NiF6 and its decomposition in the laser beam followed by Raman spectroscopy","European Journal of Solid State and Inorganic Chemistry","1991","28","","829","840","","","x-ray","0.71069","MoKα","","","0.056","","","0.069","","","","","","","","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030372","8.4068","0.0005","11.7148","0.0006","24.5654","0.0014","90","","90","","90","","2419.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H18 N0 O2 -","- C14 H18 O2 -","- C112 H144 O16 -","8","1","","Shen, Mengmeng; Tu, Yawei; Xie, Guanqun; Niu, Qingsheng; Mao, Hui; Xie, Tingting; Flowers, 2nd, Robert A; Lv, Xin; Wang, Xiaoxia","Allylsamarium Bromide-Mediated Cascade Cyclization of Homoallylic Esters. Synthesis of 2-(2-Hydroxyalkyl)cyclopropanols and 2-(2-Hydroxyethyl)bicyclo[2.1.1]hexan-1-ols.","The Journal of organic chemistry","2014","80","1","52","","10.1021/jo501797w","","","0.71073","MoKα","","","0.0449","","","0.1327","0.1577","","","","","","0.815","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030374","11.9905","0.0002","8.82516","0.00014","34.0165","0.0006","90","","90","","90","","3599.56","0.1","291","2","291.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H16 O3 -","- C23 H16 O3 -","- C184 H128 O24 -","8","1","","Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Wu, Yusheng; Wu, Yangjie","Preparation of 3-Acyl-4-arylcoumarins via Metal-Free Tandem Oxidative Acylation/Cyclization between Alkynoates with Aldehydes.","The Journal of organic chemistry","2014","80","1","148","","10.1021/jo502220b","","","1.54184","CuKα","","0.0614","0.0524","","","0.1514","0.1597","","","","","","1.085","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030444","11.988","0.006","15.862","0.002","16.538","0.002","90","","90","","90","","3144.8","1.7","","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Cr4 F44 Xe5 -","- Cr4 F44 Xe5 -","- Cr16 F176 Xe20 -","4","0.5","","Lutar, K.; Leban, I.; Ogrin, T.; Zemva, B.","XeF2.CrF4 and (XeF5+CrF5-)4.XeF4: Syntheses, crystal structures and some properties","European Journal of Solid State and Inorganic Chemistry","1992","29","","713","727","","","x-ray","0.71069","MoKα","","","0.052","","","0.0587","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030445","14.488","0.001","12.504","0.002","22.131","0.002","90","","90","","90","","4009.2","0.8","","","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H36 N2 Se Si2 -","- C14 N2 Se Si2 -","- C112 N16 Se8 Si16 -","8","1","","Bjorgvinsson, M.; Roesky, H.W.; Pauer, F.; Stalke, D.; Sheldrick, G.M.","Preparation and structure characterization of the bis[tertbutyl(trimethylsilyl)amino]chalcogenides of selenium and tellurium","European Journal of Solid State and Inorganic Chemistry","1992","29","","759","776","","","x-ray","0.71069","MoKα","","","0.0267","","","0.0246","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030468","9.746","0.0004","21.034","0.0008","22.8338","0.0016","90","","90","","90","","4680.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 Cl3 N O3 S -","- C22 H24 Cl3 N O3 S -","- C176 H192 Cl24 N8 O24 S8 -","8","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.1232","0.0723","","","0.1351","0.1621","","","","","","1.058","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030509","10.424","0.005","16.907","0.007","15.601","0.002","90","","90","","90","","2749.5","1.8","","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H52 Mg2 N8 -","- C20 H52 Mg2 N8 -","- C80 H208 Mg8 N32 -","4","0.5","","Bradley, D. C.; Frigo, D. M.; Harding, I. S.; Motevalli, M.","Ethylenediamine complexes of magnesium: the search for volatile compounds","European Journal of Solid State and Inorganic Chemistry","1993","30","","241","258","","","x-ray","0.71073","MoKα","","","0.0409","","","0.0434","","","","","","","","","","","has coordinates","189197","2020-10-21","18:00:00",""
"4030559","9.8175","0.0019","10.663","0.002","18.25","0.004","90","","90","","90","","1910.5","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C88 H88 N24 -","8","1","","Xu, Hao; Ma, Shuang; Xu, Yuanqing; Bian, Longxiang; Ding, Tao; Fang, Xiaomin; Zhang, Wenkai; Ren, Yanrong","Copper-catalyzed one-pot synthesis of 1,2,4-triazoles from nitriles and hydroxylamine.","The Journal of organic chemistry","2015","80","3","1789","1794","10.1021/jo502709t","","","0.71073","MoKα","","0.085","0.057","","","0.1517","0.1739","","","","","","1.063","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4030571","30.7925","0.0009","16.2373","0.0006","34.0415","0.0016","90","","90","","90","","17020.3","1.1","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H69 N O6 S3 -","- C78 H69 N O6 S3 -","- C624 H552 N8 O48 S24 -","8","1","","Hammer, Natalie; Shubina, Tatyana E.; Gisselbrecht, Jean-Paul; Hampel, Frank; Kivala, Milan","Synthesis and properties of arylvinylidene-bridged triphenylamines.","The Journal of organic chemistry","2015","80","4","2418","2424","10.1021/jo502605e","","","1.5418","CuKα","","0.1249","0.0966","","","0.2928","0.3178","","","","","","1.177","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030627","15.7067","0.0019","16.039","0.002","17.011","0.002","90","","90","","90","","4285.4","0.9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0788","0.0408","","","0.0812","0.0945","","","","","","1.001","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030628","16.2285","0.001","15.8298","0.0009","16.6687","0.0012","90","","90","","90","","4282.1","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O4 -","- C26 H16 Br N O4 -","- C208 H128 Br8 N8 O32 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.1089","0.0466","","","0.0749","0.0894","","","","","","0.999","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030629","15.467","0.003","16.39","0.004","17.407","0.004","90","","90","","90","","4412.7","1.7","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0921","0.046","","","0.0847","0.1016","","","","","","1.041","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030630","16.2118","0.0008","16.0178","0.0007","16.699","0.0008","90","","90","","90","","4336.4","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Br N O3 S -","- C26 H16 Br N O3 S -","- C208 H128 Br8 N8 O24 S8 -","8","1","","Fan, Yu-Shiou; Das, Utpal; Hsiao, Ming-Yu; Liu, Meng-Hsien; Lin, Wenwei","Chemoselective intramolecular Wittig reactions for the synthesis of oxazoles and benzofurans.","The Journal of organic chemistry","2014","79","23","11567","11582","10.1021/jo502232q","","","0.71073","MoKα","","0.0841","0.0425","","","0.0866","0.1007","","","","","","1.02","","","","has coordinates,has disorder","178485","2020-10-21","18:00:00",""
"4030649","14.4847","0.0004","14.2985","0.0004","16.2284","0.0005","90","","90","","90","","3361.06","0.17","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C136 H168 N24 O40 -","8","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.0974","0.0485","","","0.1073","0.1337","","","","","","1.018","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030686","10.163","0.002","21.989","0.005","17.279","0.003","90","","90","","90","","3861.4","1.3","","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H22 F2 Ga3 N4 O13 P3 -","- C6 H19 F2 Ga3 N4 O13 P3 -","- C48 H152 F16 Ga24 N32 O104 P24 -","8","1","","Serpaggi, F.; Loiseau, T.; Riou, D.; Ferey, G.; Hosseini, M. W.","Oxyfluorinated microporous compounds: IX. Synthesis and crystal structure of ULM-8: a new layered fluorinated gallophosphate Ga3(PO4)2(HPO4)(H2O)F2,(N4C6H19)","European Journal of Solid State and Inorganic Chemistry","1994","31","","595","604","","","x-ray","0.71069","MoK1a","","","0.049","","","0.148","","","","","","","","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030720","12.538","0.002","11.67","0.002","12.699","0.001","90","","90","","90","","1858.1","0.5","","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Ca Fe3 H2 O13 P3 -","- Ca Fe3 H2 O13 P3 -","- Ca8 Fe24 H16 O104 P24 -","8","1","","Kwang-Hwa Lii; Chih-Yuan Huang","CaFe3(PO4)3(H2O): A mixed-valence iron phosphate containing zigzag chains of FeO6 octahedra","European Journal of Solid State and Inorganic Chemistry","1995","32","","225","235","","","x-ray","0.7093","MoKα","","","0.0287","","","0.0292","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030754","10.2831","0.0011","21.4073","0.0019","25.129","0.002","90","","90","","90","","5531.7","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C288 H192 N32 O32 -","16","2","","Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro","Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles.","The Journal of organic chemistry","2015","80","4","2384","2391","10.1021/acs.joc.5b00037","","","0.71075","MoKα","","","0.0856","","","","0.2145","","","","","","1.133","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030956","10.7185","0.001","16.4457","0.0017","21.179","0.002","90","","90","","90","","3733.3","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 Si -","- C19 H20 N2 O4 Si -","- C152 H160 N16 O32 Si8 -","8","1","","Golubev, Pavel R.; Pankova, Alena S.; Kuznetsov, Mikhail A.","Regioselective Transition-Metal-Free Synthesis of 2-(Trimethylsilylmethylene)pyrrol-3-ones by Thermal Cyclization of Acetylenic Enamines.","The Journal of organic chemistry","2015","80","9","4545","4552","10.1021/acs.joc.5b00398","","","0.7107","MoKα","","0.0575","0.0419","","","0.0899","0.0961","","","","","","1.032","","","","has coordinates","138282","2020-10-21","18:00:00",""
"4030993","17.9716","0.00018","10.96238","0.00011","19.195","0.0002","90","","90","","90","","3781.64","0.07","119.99","0.1","119.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 N2 O2 -","- C19 H20 Cl2 N2 O2 -","- C152 H160 Cl16 N16 O16 -","8","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0496","0.0452","","","0.1214","0.1269","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4031007","11.435","0.0005","13.7734","0.0004","27.2118","0.0017","90","","90","","90","","4285.8","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H12 Co2 O6 S -","- C23 H12 Co2 O6 S -","- C184 H96 Co16 O48 S8 -","8","1","","Danilkina, Natalia A.; Lyapunova, Anna G.; Khlebnikov, Alexander F.; Starova, Galina L.; Bräse, Stefan; Balova, Irina A.","Ring-Closing Metathesis of Co2(CO)6-Alkyne Complexes for the Synthesis of 11-Membered Dienediynes: Overcoming Thermodynamic Barriers.","The Journal of organic chemistry","2015","80","11","5546","5555","10.1021/acs.joc.5b00409","","","0.7107","MoKα","","0.071","0.0431","","","0.0728","0.082","","","","","","1.035","","","","has coordinates","154709","2020-10-21","18:00:00",""
"4031077","15.365","0.003","14.272","0.003","16.775","0.003","90","","90","","90","","3678.6","1.2","120","2","120","2","","","","","","","synthesized by Dr. Jiri Kaleta","2","P b c a","-P 2ac 2ab","61","","","","- C28 H14 -","- C28 H14 -","- C224 H112 -","8","1","","Kaleta, Jiří; Dron, Paul I.; Zhao, Ke; Shen, Yongqiang; Císařová, Ivana; Rogers, Charles T.; Michl, Josef","Arrays of Molecular Rotors with Triptycene Stoppers: Surface Inclusion in Hexagonal Tris(o-phenylenedioxy)cyclotriphosphazene.","The Journal of organic chemistry","2015","80","12","6173","6192","10.1021/acs.joc.5b00661","","","0.71073","MoKα","","0.066","0.0602","","","0.1456","0.1499","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031084","10.1269","0.0005","9.6783","0.0004","26.0397","0.0012","90","","90","","90","","2552.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","2,2-dinitropropane-1,3-diyl bis(nitrocarbamate)","","- C5 H6 N6 O12 -","- C5 H6 N6 O12 -","- C40 H48 N48 O96 -","8","1","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.0388","0.0295","","","0.0703","0.0762","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031105","9.6196","0.0004","11.5783","0.0005","28.3556","0.0013","90","","90","","90","","3158.2","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Peshkov, Anatoly A.; Peshkov, Vsevolod A.; Pereshivko, Olga P.; Van Hecke, Kristof; Kumar, Rakesh; V Van der Eycken, Erik","Heck-Suzuki Tandem Reaction for the Synthesis of 3-Benzazepines.","The Journal of organic chemistry","2015","80","13","6598","6608","10.1021/acs.joc.5b00670","","x-ray","1.54184","CuKα","","0.053","0.0418","","","0.0929","0.1009","","","","","","1.049","","","","has coordinates","140134","2020-10-21","18:00:00",""
"4031125","13.509","0.002","14.199","0.002","21.895","0.003","90","","90","","90","","4199.8","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H29 N O Se -","- C25 H29 N O Se -","- C200 H232 N8 O8 Se8 -","8","1","","Murai, Toshiaki; Mizutani, Tomohiko; Ebihara, Masahiro; Maruyama, Toshifumi","α-Hydroxy and α-Oxo Selenoamides: Synthesis via Nucleophilic Selenocarbamoylation of Carbonyl Compounds and Characterization.","The Journal of organic chemistry","2015","80","13","6903","6907","10.1021/acs.joc.5b00969","","","0.71075","MoKα","","0.0362","0.031","","","0.0823","0.0858","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031137","8.3947","0.0006","11.2061","0.0008","37.337","0.002","90","","90","","90","","3512.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 S -","- C17 H24 O4 S -","- C136 H192 O32 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","0.71073","MoKα","","0.0477","0.0386","","","0.105","0.1184","","","","","","1.09","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031138","13.3424","0.0004","13.8449","0.0004","19.8273","0.0006","90","","90","","90","","3662.58","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H22 O5 S -","- C20 H22 O5 S -","- C160 H176 O40 S8 -","8","1","","Tata, Rama Rao; Harmata, Michael","A Synthesis of Dihydrofuran-3(2H)-ones.","The Journal of organic chemistry","2015","80","13","6839","6845","10.1021/acs.joc.5b01076","","","1.54178","CuKα","","0.0309","0.0305","","","0.0794","0.0797","","","","","","1.063","","","","has coordinates","140135","2020-10-21","18:00:00",""
"4031162","12.881","0.003","9.3888","0.0019","20.978","0.004","90","","90","","90","","2537","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H18 Cl4 N6 -","- C26 H18 Cl4 N6 -","- C104 H72 Cl16 N24 -","4","0.5","","Song, Lina; Tian, Xianhai; Lv, Zhigang; Li, Ertong; Wu, Jie; Liu, Yangxue; Yu, Wenquan; Chang, Junbiao","I2/KI-Mediated Oxidative N-N Bond Formation for the Synthesis of 1,5-Fused 1,2,4-Triazoles from N-Aryl Amidines.","The Journal of organic chemistry","2015","80","14","7219","7225","10.1021/acs.joc.5b01183","","","0.71073","MoKα","","0.061","0.0527","","","0.1783","0.1909","","","","","","1.337","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031252","10.4557","","9.8265","","10.9323","","90","","90","","90","","1123.22","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Na Mn (O3 P C H (O H) C O2)","","- C2 H2 Mn Na O6 P -","- C2 H2 Mn Na O6 P -","- C16 H16 Mn8 Na8 O48 P8 -","8","1","","Lai Zhuzhi; Fu Ruibiao; Hu Shengmin; Wu Xintao","Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)","European Journal of Inorganic Chemistry","2007","2007","","5439","5446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031253","10.1998","","9.689","","10.7943","","90","","90","","90","","1066.76","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Na Co (O3 P C H (O H) C O2)","","- C2 H2 Co Na O6 P -","- C2 H2 Co Na O6 P -","- C16 H16 Co8 Na8 O48 P8 -","8","1","","Lai Zhuzhi; Fu Ruibiao; Hu Shengmin; Wu Xintao","Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)","European Journal of Inorganic Chemistry","2007","2007","","5439","5446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031254","10.1365","","9.6893","","10.7942","","90","","90","","90","","1060.16","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Na Zn (O3 P C H (O H) C O2)","","- C2 H2 Na O6 P Zn -","- C2 H2 Na O6 P Zn -","- C16 H16 Na8 O48 P8 Zn8 -","8","1","","Lai Zhuzhi; Hu Shengmin; Fu Ruibiao; Wu Xintao","Syntheses, crystal structures, thermal stabilities, and magnetic and luminescent properties of 3D heterometal phosphonates: Na M [O3 P C H (O H) C O2] (M = Mn, Fe, Co, Zn)","European Journal of Inorganic Chemistry","2007","2007","","5439","5446","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031274","12.452","","22.462","","22.991","","90","","90","","90","","6430.51","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Pt Cl2 (Te (C H2 Si (C H3)3)2)2","","- C16 H44 Cl2 Pt Si4 Te2 -","- C16 H44 Cl2 Pt Si4 Te2 -","- C128 H352 Cl16 Pt8 Si32 Te16 -","8","1","","Vigo, L.; Oilunkaniemi, R.; Laitinen, R.S.","Formation and characterization of platinum and palladium complexes of bis(trimethylsilylmethyl)tellane","European Journal of Inorganic Chemistry","2008","2008","","284","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031332","15.3163","0.0006","10.7987","0.0004","24.928","0.0012","90","","90","","90","","4123","0.3","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Fe O3 -","- C25 H26 Fe O3 -","- C200 H208 Fe8 O24 -","8","1","","He, Congfa; Wang, Jie; Gu, Zhenhua","BF3·OEt2-Promoted Synthesis of 2,3-Metallocenocyclohexanones: A 1,2-Hydride Shift and Cationic Cyclization Strategy.","The Journal of organic chemistry","2015","80","16","7865","7875","10.1021/acs.joc.5b01511","","","0.71073","MoKα","","0.0768","0.0435","","","0.1164","0.1449","","","","","","1.063","","","","has coordinates","154699","2020-10-21","18:00:00",""
"4031359","10.8224","0.0019","17.875","0.003","34.803","0.006","90","","90","","90","","6733","2","125","","125","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H4 B F9 N2 S -","- C6 H4 B F9 N2 S -","- C144 H96 B24 F216 N48 S24 -","24","3","","Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr","Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.","Beilstein journal of organic chemistry","2015","11","","1494","1502","10.3762/bjoc.11.162","","","0.71075","MoKα","","","0.1339","","","","0.2412","","","","","","1.345","","","","has coordinates","160569","2020-10-21","18:00:00",""
"4031364","13.703","0.002","16.085","0.003","41.003","0.007","90","","90","","90","","9038","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl2 O3 P2 Ru -","- C45 H71 Cl2 O3 P2 Ru -","- C360 H568 Cl16 O24 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0992","0.073","","","0.198","0.2295","","","","","","1.27","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031365","13.067","0.002","15.91","0.002","37.178","0.006","90","","90","","90","","7729","2","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H52 Cl2 O6 P2 Ru -","- C33 H52 Cl2 O6 P2 Ru -","- C264 H416 Cl16 O48 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0642","0.0433","","","0.0891","0.0979","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031403","14.673","","19.765","","11.58","","90","","90","","90","","3358.34","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","(B10 H13)2","","- B20 H26 -","- B20 H26 -","- B160 H208 -","8","1","","Boocock, S.K.; Greenwood, N.N.; Kennedy, J.D.; McDonald, W.S.; Staves, J.","The chemistry of isomeric icosaboranes, B20 H26. Molecular structures and physical characterization of 2,2'-Bi(nido-decaboranyl) and 2,6'-Bi(nido-decaboranyl)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1980","1980","","790","796","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031411","22.34","","15.51","","13.67","","90","","90","","90","","4736.56","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Re (C O)5 F Re F5","","- C5 F6 O5 Re2 -","- C5 F6 O5 Re2 -","- C80 F96 O80 Re32 -","16","2","","Bruce, D.M.; Holloway, J.H.; Russell, D.R.","Crystal structure of abcde-Pentacarbonyl-f-mue-fluoro-ghijk-pentafluoro-rheni m(I)rhenium(V)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1978","1978","","64","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","154204","2020-10-21","18:00:00",""
"4031486","15.915","","14.641","","9.7","","90","","90","","90","","2260.21","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","S3 N2 N P3 N3 F5","","- F5 N6 P3 S3 -","- F5 N6 P3 S3 -","- F40 N48 P24 S24 -","8","1","","Rayment, I.; Shearer, H.M.M.; Roesky, H.W.","Crystal structure of 2,2,4,4,6-pentafluoro-6(N-(1,2,4,3,5-trithiadiazol-1-ylide e)amino) cyclotriphosphazene, S3 N2 N P3 N3 F5","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","883","885","","","","","","","","","","","","","","","","","","","","","","has coordinates","155769","2020-10-21","18:00:00",""
"4031497","7.88","","14.46","","8.19","","90","","90","","90","","933.208","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S6 N4 Cl2","","- Cl2 N4 S6 -","- Cl2 N4 S6 -","- Cl8 N16 S24 -","4","0.5","","Small, R.W.H.; Banister, A.J.; Hauptman, Z.V.","Hexasulphur tetranitrogen dichloride, S6 N4 Cl2: Crystal growth and crystal structure","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1984","1984","","1377","1381","","","","","","","","","","","","","","","","","","","","","","has coordinates","155998","2020-10-21","18:00:00",""
"4031527","7.7272","0.0003","21.2361","0.0009","25.093","0.001","90","","90","","90","","4117.7","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C184 H272 O32 -","8","1","","Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh","Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.","The Journal of organic chemistry","2015","80","20","9889","9899","10.1021/acs.joc.5b01345","","","0.71073","MoKα","","0.0517","0.0396","","","0.1033","0.1122","","","","","","1.033","","","","has coordinates","170095","2020-10-21","18:00:00",""
"4031593","8.606","","15.686","","22.96","","90","","90","","90","","3099.46","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","P8 O12 (B H3)2","","- B2 H6 O12 P8 -","- B2 H6 O12 P8 -","- B16 H48 O96 P64 -","8","1","","Tellenbach, A.; Jansen, M.","(P8 O12) * 2(B H3) - The borane adduct of a new molecular phosphorus oxide","European Journal of Inorganic Chemistry","2003","2003","","3759","3766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031633","18.938","","11.73","","18.971","","90","","90","","90","","4214.27","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Cs (Fe (N O3)4)","","- Cs Fe N4 O12 -","- Cs Fe N4 O12 -","- Cs16 Fe16 N64 O192 -","16","2","","Fedorova, A.A.; Chizhov, P.S.; Morozov, I.V.; Troyanov, S.I.","Synthesis and Crystal Structures of New Iron(III) and Chromium(III) Nitrate Complexes Cs[Fe(NO3)4], Cs2[Cr(NO3)5], and Cs3[Cr(NO3)6]","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","2002","47","","1845","1852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031740","14.9685","0.0003","18.6756","0.0003","20.5316","0.0003","90","","90","","90","","5739.52","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 O2 P2 S -","- C30 H30 F6 O2 P2 S -","- C240 H240 F48 O16 P16 S8 -","8","1","","Hampton, Carissa S.; Harmata, Michael","Mechanistic Aspects of the Phosphine-Catalyzed Isomerization of Allenic Sulfones to 2-Arylsulfonyl 1,3-Dienes.","The Journal of organic chemistry","2015","80","24","12151","12158","10.1021/acs.joc.5b02097","","","1.54178","CuKα","","0.0284","0.0269","","","0.0719","0.073","","","","","","1.04","","","","has coordinates","173587","2020-10-21","18:00:00",""
"4031760","13.236","0.003","19.919","0.004","34.94","0.007","90","","90","","90","","9212","3","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27.5 H22 Cl N O P S -","- C27.5 H21 Cl N O P S -","- C440 H336 Cl16 N16 O16 P16 S16 -","16","2","","Li, Bin; Yang, Jie; Xu, Hong; Song, Haibin; Wang, Baiquan","Rhodium(III)-Catalyzed C-H Activation and Annulation with 1-Alkynylphosphine Sulfides: A Mild and Regioselective Access for the Synthesis of Bulky Phosphine Ligands.","The Journal of organic chemistry","2015","80","24","12397","12409","10.1021/acs.joc.5b02265","","","0.71073","MoKα","","0.0839","0.0639","","","0.1373","0.1474","","","","","","1.097","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4031770","22.6937","0.0015","25.4639","0.0017","31.677","0.002","90","","90","","90","","18305","2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C101 H57 B2 F40 N2 O4 -","- C89.7778 H50.6667 B1.77778 F35.5556 N1.77778 O3.55556 -","- C808 H456 B16 F320 N16 O32 -","9","1.125","","Kurata, Ryohei; Tanaka, Kazuyoshi; Ito, Akihiro","Isolation and Characterization of Persistent Radical Cation and Dication of 2,7-Bis(dianisylamino)pyrene.","The Journal of organic chemistry","2016","81","1","137","145","10.1021/acs.joc.5b02425","","","1.54187","CuKα","","0.05","0.039","","","0.1365","0.1475","","","","","","1.185","","","","has coordinates","175800","2020-10-21","18:00:00",""
"4031796","14.909","","9.843","","12.113","","90","","90","","90","","1777.57","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(S F2)2 N As F6","","- As F10 N S2 -","- As F10 N S2 -","- As8 F80 N8 S16 -","8","1","","Brooks, W.V.F.; Wong, C.-M.; Passmore, J.; MacLean, G.K.; White, P.S.","Reaction of S2 N As F6 with Halogens: Preparation and X-Ray Crystal Structure of (S F2)2 N As F6; Preparation of (S Br2)2 N As F6,and Vibrational Spectrum and Normal-Co-Ordinate Analysis of the (SX)2 N(+) (X=Cl or Br) Cations","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1983","1983","","1961","1983","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031865","11.059","0.002","11.569","0.002","17.329","0.004","90","","90","","90","","2217.1","0.8","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0535","0.0465","","","0.1063","0.1148","","","","","","1.105","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031923","17.355","0.004","9.4432","0.0019","20.162","0.004","90","","90","","90","","3304.3","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H15 Cl O -","- C22 H15 Cl O -","- C176 H120 Cl8 O8 -","8","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.11","0.0539","","","0.1337","0.1638","","","","","","0.978","","","","has coordinates","177260","2020-10-21","18:00:00",""
"4031982","17.413","0.009","17.673","0.008","19.974","0.01","90","","90","","90","","6147","5","100","2","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H35 F3 N O3 P Pd S -","- C30 H35 F3 N O3 P Pd S -","- C240 H280 F24 N8 O24 P8 Pd8 S8 -","8","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0569","0.0393","","","0.0765","0.0929","","","","","","1.196","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031999","14.3541","0.0008","12.9841","0.0009","23.2417","0.0013","90","","90","","90","","4331.7","0.5","295.06","0.1","295.06","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 F2 N2 O2 -","- C23 H26 F2 N2 O2 -","- C184 H208 F16 N16 O16 -","8","1","","Wang, Chao; Chen, Qiao; Guo, Quanping; Liu, Hong; Xu, Zhaoqing; Liu, Yubing; Wang, Mengran; Wang, Rui","Silver-Catalyzed Difluoroamidation of Activated Alkenes for the Construction of Difluorinated 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2016","81","13","5782","5788","10.1021/acs.joc.6b01013","","x-ray","0.71073","MoKα","","0.2101","0.0951","","","0.2415","0.3318","","","","","","1.002","","","","has coordinates","184936","2020-10-21","18:00:00",""
"4032057","19.0544","0.0013","10.7505","0.0008","19.758","0.0014","90","","90","","90","","4047.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C192 H192 N16 O16 S8 -","8","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0863","0.0553","","","0.1335","0.1637","","","","","","1.05","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032060","17.5326","0.0019","20.845","0.002","22.514","0.002","90","","90","","90","","8228.1","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Br2 N7 O4 S2 -","- C38 H33 Br2 N7 O3 S -","- C304 H264 Br16 N56 O24 S8 -","8","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0941","0.0466","","","0.1086","0.129","","","","","","1.012","","","","has coordinates","187522","2020-10-21","18:00:00",""
"4032180","17.3073","0.0007","9.4291","0.0004","17.5336","0.0007","90","","90","","90","","2861.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0632","0.0385","","","0.0875","0.1009","","","","","","1.053","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032228","12.3783","0.0009","17.2914","0.0013","18.284","0.0014","90","","90","","90","","3913.5","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C184 H200 N8 O16 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0947","0.0445","","","0.1062","0.1311","","","","","","1.009","","","","has coordinates","193230","2020-10-21","18:00:00",""
"4032304","19.5111","0.0009","10.0621","0.0005","20.2837","0.001","90","","90","","90","","3982.1","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Benzyl-3-(difluoronitromethyl)-2-oxoindolin-3-yl benzoate","","- C23 H16 F2 N2 O5 -","- C23 H16 F2 N2 O5 -","- C184 H128 F16 N16 O40 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0841","0.0872","","","","","","1.016","","","","has coordinates","193286","2020-10-21","18:00:00",""
"4032326","6.3297","0.0013","19.665","0.004","22.568","0.005","90","","90","","90","","2809.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","","Chang, Lina; Guo, Tao; Wang, Ziyi; Wang, Shaozhong; Yao, Zhu-Jun","Azepinoindole Synthesis via a N-Bromosuccinimide-Induced Cycloisomerization of Enaminoester/Enaminone.","The Journal of organic chemistry","2017","82","3","1567","1574","10.1021/acs.joc.6b02760","","","0.71073","MoKα","","0.1858","0.0759","","","0.1076","0.1344","","","","","","1","","","","has coordinates","193308","2020-10-21","18:00:00",""
"4032363","11.8453","0.001","11.2052","0.001","21.084","0.0015","90","","90","","90","","2798.5","0.4","107.35","0.1","107.35","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H19 B Fe N O2 P -","- C13 H19 B Fe N O2 P -","- C104 H152 B8 Fe8 N8 O16 P8 -","8","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0699","0.0559","","","0.1429","0.1488","","","","","","1.085","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032400","9.8445","0.0004","6.9522","0.0003","30.4659","0.0012","90","","90","","90","","2085.11","0.15","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0342","0.0331","","","0.0835","0.0844","","","","","","1.065","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032431","10.4204","0.0004","16.8718","0.0007","30.1306","0.0012","90","","90","","90","","5297.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C280 H208 N16 O16 -","8","1","","Rao, V. U. Bhaskara; Kumar, Krishna; Das, Tamal; Vanka, Kumar; Singh, Ravi P.","DBU-mediated Diastereoselective Aldol-type Cyanomethylation of Isatins.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00512","","","0.71073","MoKα","","0.0619","0.0527","","","0.1103","0.1149","","","","","","1.176","","","","has coordinates","195245","2020-10-21","18:00:00",""
"4032455","10.6995","0.0004","15.0959","0.0006","34.2987","0.0013","90","","90","","90","","5539.9","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Br2 O2 -","- C36 H28 Br2 O2 -","- C288 H224 Br16 O16 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0399","0.0327","","","0.0781","0.0813","","","","","","1.068","","","","has coordinates","196016","2020-10-21","18:00:00",""
"4032464","7.1367","0.0001","13.239","0.0001","22.5108","0.0002","90","","90","","90","","2126.88","0.04","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0338","0.0332","","0.0578","0.0576","0.0578","","","","","","1","","","","has coordinates","196025","2020-10-21","18:00:00",""
"4032476","12.812","0.002","7.0885","0.0012","23.719","0.004","90","","90","","90","","2154.1","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.1035","0.0849","","","0.1797","0.1874","","","","","","1.349","","","","has coordinates","197459","2020-10-21","18:00:00",""
"4032492","15.1173","0.0003","14.2656","0.0003","16.7613","0.0003","90","","90","","90","","3614.7","0.12","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N6 O5 -","- C18 H11 Cl N6 O5 -","- C144 H88 Cl8 N48 O40 -","8","1","","Iwai, Kento; Asahara, Haruyasu; Nishiwaki, Nagatoshi","Synthesis of Functionalized 3-Cyanoisoxazoles Using a Dianionic Reagent.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00811","","","1.54187","CuKα","","0.0363","0.0344","","","0.0863","0.0875","","","","","","1.082","","","","has coordinates","196593","2020-10-21","18:00:00",""
"4032522","16.3855","0.0002","7.3631","0.00009","18.7465","0.0003","90","","90","","90","","2261.73","0.05","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0369","0.0306","","","0.0647","0.0667","","","","","","1.183","","","","has coordinates","197321","2020-10-21","18:00:00",""
"4032549","21.3227","0.0007","31.9115","0.0012","32.7689","0.0013","90","","90","","90","","22297.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C148 H144 N34 O14 Zn2 -","- C148 H144 N34 O14 Zn2 -","- C592 H576 N136 O56 Zn8 -","4","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","1.54178","CuKα","","0.0733","0.0556","","","0.1649","0.1737","","","","","","1.093","","","","has coordinates","197340","2020-10-21","18:00:00",""
"4032722","20.989","0.0005","21.5927","0.0006","23.4837","0.0005","90","","90","","90","","10643","0.5","100.05","0.1","100.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H59 F12 N3 O14 P2 -","- C47 H53 F12 N3 O13 P2 -","- C376 H424 F96 N24 O104 P16 -","8","1","","Pederson, Adam M.-P.; Price, Jr, Terry L; Slebodnick, Carla; Schoonover, Daniel V.; Gibson, Harry W.","The Long and the Short of It: Regiospecific Syntheses of Isomers of Dicarbomethoxydibenzo-27-crown-9 and Binding Abilities of Their Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","16","8489","8496","10.1021/acs.joc.7b01242","","x-ray","0.71073","MoKα","","0.1744","0.1245","","","0.3188","0.3567","","","","","","1.212","","","","has coordinates,has disorder","200302","2020-10-21","18:00:00",""
"4032761","18.3256","0.0002","10.8929","0.0001","21.4142","0.0003","90","","90","","90","","4274.68","0.09","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 -","- C22 H26 N6 -","- C176 H208 N48 -","8","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.0596","0.047","","","0.1071","0.1139","","","","","","1.101","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032790","11.0134","0.0006","9.5835","0.0005","19.539","0.001","90","","90","","90","","2062.28","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0446","0.0346","","","0.0827","0.0891","","","","","","1.045","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032800","6.9695","0.0002","11.9143","0.0003","22.1069","0.0006","90","","90","","90","","1835.68","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C72 H40 N40 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0398","0.0323","","","0.0774","0.0817","","","","","","1.048","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032848","16.957","0.003","7.7224","0.0015","18.204","0.004","90","","90","","90","","2383.8","0.8","153.15","","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Wang, Xiaoxia; Li, Na; Li, Zhongfeng; Rao, Honghua","Copper-Catalyzed Dehydrogenative C(sp(2))-N Bond Formation via Direct Oxidative Activation of an Anilidic N-H Bond: Synthesis of Benzoimidazo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","19","10158","10166","10.1021/acs.joc.7b01617","","","0.71073","MoKα","","0.0966","0.0801","","","0.1663","0.1864","","","","","","1.209","","","","has coordinates","202677","2020-10-21","18:00:00",""
"4032885","21.2312","0.0006","7.2323","0.0002","22.3298","0.0007","90","","90","","90","","3428.75","0.17","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Stivanin, Mateus L.; Duarte, Marcelo; Sartori, Camila; Capreti, Naylil M. R.; Angolini, Celio F. F.; Jurberg, Igor D.","An Aminocatalyzed Michael Addition/Iron-Mediated Decarboxylative Cyclization Sequence for the Preparation of 2,3,4,6-Tetrasubstituted Pyridines: Scope and Mechanistic Insights.","The Journal of organic chemistry","2017","82","19","10319","10330","10.1021/acs.joc.7b01789","","","1.54178","CuKα","","0.0558","0.0474","","","0.1315","0.139","","","","","","1.03","","","","has coordinates","202705","2020-10-21","18:00:00",""
"4033005","14.2174","0.0005","5.7053","0.0002","31.5369","0.0011","90","","90","","90","","2558.1","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","","Chen, Yu-Feng; Chen, Jing; Lin, Li-Jen; Chuang, Gary Jing","Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzene.","The Journal of organic chemistry","2017","82","21","11626","11630","10.1021/acs.joc.7b01887","","","0.71073","MoKα","","0.0383","0.0267","","","0.067","0.0952","","","","","","1.176","","","","has coordinates","202762","2020-10-21","18:00:00",""
"4033007","15.5352","0.0011","7.2602","0.0005","23.4507","0.0017","90","","90","","90","","2645","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 O -","- C14 H10 Br N3 O -","- C112 H80 Br8 N24 O8 -","8","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0855","0.0447","","","0.0953","0.1077","","","","","","1.045","","","","has coordinates","202750","2020-10-21","18:00:00",""
"4033015","14.0424","0.0008","17.427","0.0008","20.7378","0.0009","90","","90","","90","","5074.9","0.4","293","0.2","293","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C264 H200 O16 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.0975","0.057","","","0.1211","0.1499","","","","","","1.058","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033016","18.1366","0.001","13.9563","0.0006","19.6941","0.0009","90","","90","","90","","4985","0.4","288.78","0.1","288.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C264 H200 O24 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.1169","0.0634","","","0.1245","0.1585","","","","","","1.046","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033021","14.3407","0.0004","12.2598","0.0004","25.881","0.0008","90","","90","","90","","4550.2","0.2","103.4","","103.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C200 H248 N8 O40 -","8","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0438","0.0389","","","0.0957","0.0995","","","","","","1.038","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033024","14.49","0.003","11.438","0.003","20.816","0.004","90","","90","","90","","3450","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Zhao, Xiaoyuan; Zhang, Yong; Deng, Jun; Zhang-Negrerie, Daisy; Du, Yunfei","TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization, Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of Pyrrolin-4-ones and Highly Substituted Pyrroles.","The Journal of organic chemistry","2017","82","23","12682","12690","10.1021/acs.joc.7b02491","","","0.71073","MoKα","","0.0686","0.0541","","","0.1291","0.1381","","","","","","1.062","","","","has coordinates","204862","2020-10-21","18:00:00",""
"4033042","10.2719","0.0003","10.6899","0.0003","16.9891","0.0005","90","","90","","90","","1865.5","0.09","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C48 H112 Cl8 N8 O32 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0329","0.0324","","","0.0793","0.0799","","","","","","1.103","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033109","10.9695","0.0003","14.7196","0.0003","15.6452","0.0004","90","","90","","90","","2526.18","0.11","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0425","0.0379","","","0.0964","0.1009","","","","","","1.069","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033119","13.9639","0.0018","9.1183","0.0011","16.431","0.002","90","","90","","90","","2092.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 B N O -","- C12 H12 B N O -","- C96 H96 B8 N8 O8 -","8","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","1.54178","CuKα","","0.0806","0.0655","","","0.1815","0.1941","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033135","5.3586","0.0011","17.181","0.003","24.086","0.005","90","","90","","90","","2217.5","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0897","0.0516","","","0.1166","0.138","","","","","","1.023","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033275","11.8026","0.0007","8.2761","0.0004","37.697","0.003","90","","90","","90","","3682.2","0.4","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O S2 -","- C21 N O S2 -","- C168 N8 O8 S16 -","8","1","","Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf","[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties","Beilstein Journal of Organic Chemistry","2015","11","","1917","1921","10.3762/bjoc.11.207","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1116","0.1162","","","","","","1.09","","","","has coordinates","204217","2020-10-21","18:00:00",""
"4033286","9.9842","0.0003","12.356","0.0004","28.8578","0.0009","90","","90","","90","","3560.04","0.19","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","1","","Feng, Manli; Yang, Pengfei; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","FeCl3-Promoted [3 + 2] Annulations of γ-Butyrolactone Fused Cyclopropanes with Heterocumulenes.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02561","","","1.54178","CuKα","","0.0777","0.0697","","","0.1513","0.1572","","","","","","1.202","","","","has coordinates","204370","2020-10-21","18:00:00",""
"4033418","14.1899","0.001","15.0564","0.0008","18.4072","0.0012","90","","90","","90","","3932.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N4 -","- C22 H23 Cl N4 -","- C176 H184 Cl8 N32 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1462","0.1302","","","0.2921","0.3034","","","","","","1.819","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033419","16.3083","0.0005","9.767","0.0004","19.6225","0.0008","90","","90","","90","","3125.5","0.2","150","","150","","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.05","0.04","","","0.1016","0.1091","","","","","","1.049","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033472","14.2573","0.0013","19.037","0.002","25.037","0.002","90","","90","","90","","6795.4","1.1","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H30 F3 N O -","- C45 H30 F3 N O -","- C360 H240 F24 N8 O8 -","8","1","","Bettadapur, Kiran R.; Kapanaiah, Raja; Lanke, Veeranjaneyulu; Prabhu, Kandikere Ramaiah","Weak Directing Group Steered Formal Oxidative [2+2+2]-Cyclization for Selective Benzannulation of Indoles.","The Journal of organic chemistry","2018","83","4","1810","1818","10.1021/acs.joc.7b02719","","","0.71073","MoKα","","0.2579","0.0816","","","0.1798","0.2787","","","","","","0.927","","","","has coordinates","227546","2020-10-21","18:00:00",""
"4033505","13.411","0.0006","10.1144","0.0004","18.3473","0.001","90","","90","","90","","2488.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.1095","0.0752","","","0.1893","0.2093","","","","","","1.092","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033518","15.4536","0.0015","12.9941","0.0012","24.233","0.002","90","","90","","90","","4866.1","0.8","130","","130","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C224 H216 N8 O40 S8 -","8","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.0817","0.0486","","","0.103","0.1182","","","","","","1.009","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033589","14.1669","0.0014","6.075","0.0006","15.6269","0.0017","90","","90","","90","","1344.9","0.2","155","","155","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","0.5","","Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang","Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.","The Journal of organic chemistry","2019","84","10","6395","6404","10.1021/acs.joc.9b00755","","","0.71073","MoKα","","0.0656","0.048","","","0.115","0.1302","","","","","","1.043","","","","has coordinates","223220","2020-10-21","18:00:00",""
"4033591","11.796","0.002","7.326","0.0015","31.816","0.006","90","","90","","90","","2749.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 N2 O -","- C16 H11 F3 N2 O -","- C128 H88 F24 N16 O8 -","8","1","","Maiti, Saikat; Kim, Jaeshin; Park, Jae-Heon; Nam, Dongsik; Lee, Jae Bin; Kim, Ye-Jin; Kee, Jung-Min; Seo, Jeong Kon; Myung, Kyungjae; Rohde, Jan-Uwe; Choe, Wonyoung; Kwon, Oh-Hoon; Hong, Sung You","Chemoselective Trifluoroethylation Reactions of Quinazolinones and Identification of Photostability.","The Journal of organic chemistry","2019","84","11","6737","6751","10.1021/acs.joc.9b00470","","","0.7","synchrotron","","0.0623","0.0462","","","0.1282","0.136","","","","","","1.048","","","","has coordinates","223235","2020-10-21","18:00:00",""
"4033597","13.7408","0.0002","10.8233","0.0002","16.535","0.0002","90","","90","","90","","2459.1","0.07","123.01","0.1","123.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 -","- C14 H10 Br N3 -","- C112 H80 Br8 N24 -","8","1","","Simeth, Nadja A.; Bellisario, Alfredo; Crespi, Stefano; Fagnoni, Maurizio; König, Burkhard","Substituent Effects on 3-Arylazoindole Photoswitches.","The Journal of organic chemistry","2019","84","11","6565","6575","10.1021/acs.joc.8b02973","","x-ray","1.54184","CuKα","","0.0283","0.0261","","","0.0708","0.0726","","","","","","1.083","","","","has coordinates","223234","2020-10-21","18:00:00",""
"4033613","7.582","0.0001","12.2125","0.0001","29.8274","0.0003","90","","90","","90","","2761.87","0.05","223","","223","","","","101.3","","","","","4","P b c a","-P 2ac 2ab","61","4-methoxy-6-nitro-2-phenylchromane","4-methoxy-6-nitro-2-phenylchromane","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Tanaka, Kenta; Kishimoto, Mami; Asada, Yosuke; Tanaka, Yuta; Hoshino, Yujiro; Honda, Kiyoshi","Access to Electron-Deficient 2,2-Disubstituted Chromanes: A Highly Regioselective One-Pot Synthesis via an Inverse-Electron-Demand [4 + 2] Cycloaddition of <i>ortho</i>-Quinone Methides.","The Journal of organic chemistry","2019","84","21","13858","13870","10.1021/acs.joc.9b02036","","x-ray","1.54184","CuKα","","0.0499","0.0472","","","0.1237","0.1265","","","","","","1.111","","","","has coordinates","223224","2020-10-21","18:00:00",""
"4033620","14.25","0.0002","14.314","0.0002","28.2402","0.0004","90","","90","","90","","5760.28","0.14","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 I6 In2 O2 -","- C18 H14 I6 In2 O2 -","- C144 H112 I48 In16 O16 -","8","1","","Yata, Tetsuji; Kita, Yuji; Nishimoto, Yoshihiro; Yasuda, Makoto","Regioselective Synthesis of 5-Metalated 2-Pyrones by Intramolecular Oxymetalation of Carbonyl-ene-yne Compounds Using Indium Trihalide.","The Journal of organic chemistry","2019","84","21","14330","14341","10.1021/acs.joc.9b02186","","x-ray","1.54184","CuKα","","0.0525","0.0496","","","0.1314","0.1343","","","","","","1.067","","","","has coordinates","223226","2020-10-21","18:00:00",""
"4033638","8.6675","0.0002","13.7568","0.0003","21.7507","0.0005","90","","90","","90","","2593.49","0.1","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C104 H128 N32 O16 -","8","1","","Malykhin, Roman S.; Kokuev, Aleksandr O.; Dorokhov, Valentin S.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.; Tabolin, Andrey A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Nucleophilic Halogenation of Cyclic Nitronates: A General Access to 3-Halo-1,2-Oxazines.","The Journal of organic chemistry","2019","84","21","13794","13806","10.1021/acs.joc.9b02010","","","1.54178","CuKα","","0.0433","0.0368","","","0.0887","0.094","","","","","","1.0456","","","","has coordinates","223232","2020-10-21","18:00:00",""
"4033684","25.8161","0.001","8.5863","0.0003","32.5051","0.0012","90","","90","","90","","7205.2","0.5","100","","99.98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,8-Diphenyl-deuteroporphyrin IX dimethyl ester","","- C44 H41.99 N4 O4 Pd0.01 -","- C44 H41.99 N4 O4 Pd0.01 -","- C352 H335.92 N32 O32 Pd0.08 -","8","1","","O'Brien, Jessica M; Sitte, Elisabeth; Flanagan, Keith J.; Kühner, Hannes; Hallen, Lukas J.; Gibbons, Dáire; Senge, Mathias O.","Functionalization of Deutero- and Protoporphyrin IX Dimethyl Esters via Palladium-Catalyzed Coupling Reactions.","The Journal of organic chemistry","2019","84","10","6158","6173","10.1021/acs.joc.9b00350","","x-ray","0.71073","MoKα","","0.0873","0.0555","","","0.1211","0.1362","","","","","","1.046","","","","has coordinates,has disorder","222260","2020-10-21","18:00:00",""
"4033772","17.744","0.005","6.791","0.002","24.079","0.008","90","","90","","90","","2901.5","1.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 Sn -","- C15 H20 O2 Sn -","- C120 H160 O16 Sn8 -","8","1","","Martínez-García, Lucas; Lobato, Rubén; Prado, Gustavo; Monje, Pablo; Sardina, F. Javier; Paleo, M. Rita","C-C Bond-Forming and Bond-Breaking Processes from the Reaction of Diesters with Me<sub>3</sub>SnLi. Synthesis of Complex Bridged Polycycles and Dialkyl Aromatic Compounds.","The Journal of organic chemistry","2019","84","4","1887","1897","10.1021/acs.joc.8b02891","","x-ray","0.7107","MoKα","","0.0458","0.0287","","","0.0591","0.0651","","","","","","1.032","","","","has coordinates","222347","2020-10-21","18:00:00",""
"4033802","7.6784","0.001","20.557","0.003","24.693","0.004","90","","90","","90","","3897.7","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H34 O -","- C24 H34 O -","- C192 H272 O8 -","8","1","","Hipwell, Vince M.; Garcia-Garibay, Miguel A","Mechanistic Studies of Adamantylacetophenones with Competing Reaction Pathways in Solution and in the Crystalline Solid State.","The Journal of organic chemistry","2019","84","17","11103","11113","10.1021/acs.joc.9b01720","","","0.71073","MoKα","","0.0739","0.0548","","","0.1354","0.1448","","","","","","1.035","","","","has coordinates","222378","2020-10-21","18:00:00",""
"4033824","8.8079","0.0007","10.9869","0.001","31.112","0.003","90","","90","","90","","3010.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 N2 S2 -","- C10 H24 Cl2 N2 S2 -","- C80 H192 Cl16 N16 S16 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","0.71073","MoKα","","0.04","0.0305","","","0.073","0.0778","","","","","","1.058","","","","has coordinates","222399","2020-10-21","18:00:00",""
"4033825","16.7399","0.0007","12.0024","0.0005","27.0312","0.0012","90","","90","","90","","5431.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O4 S4 -","- C24 H34 N2 O4 S4 -","- C192 H272 N16 O32 S32 -","8","1","","Taschner, Ian S.; Walker, Tia L.; DeHaan, Hunter S.; Schrage, Briana R.; Ziegler, Christopher J.; Taschner, Michael J.","Synthesis, Characterization, and Copper(II) Chelates of 1,11-Dithia-4,8-diazacyclotetradecane.","The Journal of organic chemistry","2019","84","17","11091","11102","10.1021/acs.joc.9b01682","","","1.54178","CuKα","","0.0467","0.0431","","","0.1197","0.1227","","","","","","1.042","","","","has coordinates","222400","2020-10-21","18:00:00",""
"4033843","20.3439","0.0004","8.323","0.0002","22.9542","0.0005","90","","90","","90","","3886.66","0.15","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C192 H160 O48 -","8","1","","Zhao, Yun-Long; Cheng, Ying","Construction of Complex Bisether-Bridged Medium-Sized Cyclic Compounds from <i>o</i>-(1-(Acyloxy)propargyl)benzaldehydes under Base and Acid Catalysis.","The Journal of organic chemistry","2019","84","17","11114","11124","10.1021/acs.joc.9b01677","","x-ray","1.54184","CuKα","","0.0434","0.0378","","","0.094","0.1","","","","","","1.075","","","","has coordinates","222419","2020-10-21","18:00:00",""
"4033881","25.7343","0.001","7.6126","0.0002","27.7175","0.0008","90","","90","","90","","5430","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cl N3 O3 -","- C28 H20 Cl N3 O3 -","- C224 H160 Cl8 N24 O24 -","8","1","","Galenko, Ekaterina E.; Linnik, Stanislav A.; Khoroshilova, Olesya V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Isoxazole Strategy for the Synthesis of α-Aminopyrrole Derivatives.","The Journal of organic chemistry","2019","84","17","11275","11285","10.1021/acs.joc.9b01634","","x-ray","1.54184","CuKα","","0.0841","0.0648","","","0.1528","0.1637","","","","","","1.054","","","","has coordinates","222454","2020-10-21","18:00:00",""
"4033890","6.3705","0.0003","16.0873","0.0007","25.9006","0.0011","90","","90","","90","","2654.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Py-Ts-Me-I","","","- C11.99 H11.96 I1.01 N O2 S -","- C11.9853 H11.9559 I1.0147 N O2 S -","- C95.8824 H95.6472 I8.1176 N8 O16 S8 -","8","1","","Wang, Pengzhi; Chau Nguyen, Khiem; Lindsey, Jonathan S.","Synthesis of the Ring C Pyrrole of Native Chlorophylls and Bacteriochlorophylls.","The Journal of organic chemistry","2019","84","17","11286","11293","10.1021/acs.joc.9b01650","","","0.71073","MoKα","","0.0625","0.045","","","0.0805","0.085","","","","","","1.218","","","","has coordinates,has disorder","222465","2020-10-21","18:00:00",""
"4033904","7.42","0.0002","13.6927","0.0003","24.5834","0.0005","90","","90","","90","","2497.67","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0382","0.0373","","","0.0914","0.092","","","","","","1.095","","","","has coordinates","222480","2020-10-21","18:00:00",""
"4033955","10.5088","0.0012","10.1424","0.0012","27.846","0.003","90","","90","","90","","2968","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H20 B N O3 -","- C15 H20 B N O3 -","- C120 H160 B8 N8 O24 -","8","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71073","MoKα","","0.0557","0.0364","","","0.1039","0.123","","","","","","1.104","","","","has coordinates","222530","2020-10-21","18:00:00",""
"4033987","16.7603","0.0003","16.2554","0.0002","27.9643","0.0005","90","","90","","90","","7618.7","0.2","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C75 H14 O3 -","- C75 H14 O3 -","- C600 H112 O24 -","8","1","","Wu, Yin-Fu; Wang, Shan-Shan; Yao, Chun-Rui; Chen, Zuo-Chang; Li, Shu-Hui; Yao, Yang-Rong; Zhang, Xue-Peng; Su, Yin; Deng, Shun-Liu; Zhang, Qianyan; Gao, Fei; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","General One-step Synthesis of Symmetrical or Unsymmetrical 1,4-Di(organo)fullerenes from Organo(hydro)fullerenes through Direct Oxidative Arylation.","The Journal of organic chemistry","2019","84","19","12259","12267","10.1021/acs.joc.9b01272","","x-ray","1.54184","CuKα","","0.0878","0.0698","","","0.1671","0.189","","","","","","1.119","","","","has coordinates,has disorder","222555","2020-10-21","18:00:00",""
"4034018","11.1584","0.0017","15.1108","0.0017","33.728","0.004","90","","90","","90","","5687","1.3","150.01","0.1","150.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H27 N3 O S -","- C35 H27 N3 O S -","- C280 H216 N24 O8 S8 -","8","1","","Rémond, Maxime; Zheng, Zheng; Jeanneau, Erwann; Andraud, Chantal; Bretonnière, Yann; Redon, Sébastien","4,5,5-Trimethyl-2,5-dihydrofuran-Based Electron-Withdrawing Groups for NIR-Emitting Push-Pull Dipolar Fluorophores.","The Journal of organic chemistry","2019","84","16","9965","9974","10.1021/acs.joc.9b01120","","x-ray","0.71073","MoKα","","0.1304","0.0692","","0.1516","0.1069","0.1516","","","","","","0.9804","","","","has coordinates,has disorder","222577","2020-10-21","18:00:00",""
"4034102","7.8786","0.0009","10.9544","0.0013","29.561","0.003","90","","90","","90","","2551.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","nagib01","nagib01","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C96 H96 F24 N8 O24 S8 -","8","1","","Nakafuku, Kohki M.; Twumasi, Raymond K.; Vanitcha, Avassaya; Wappes, Ethan A.; Namitharan, Kayambu; Bekkaye, Mathieu; Nagib, David A.","Development of an Imine Chaperone for Selective C-H Functionalization of Alcohols via Radical Relay.","The Journal of organic chemistry","2019","84","20","13065","13072","10.1021/acs.joc.9b02052","","","0.71073","MoKα","","0.0429","0.0393","","","0.0863","0.0878","","","","","","1.172","","","","has coordinates","222659","2020-10-21","18:00:00",""
"4034106","11.188","0.003","7.6803","0.0019","26.991","0.007","90","","90","","90","","2319.3","1","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0524","0.0511","","","0.1059","0.1065","","","","","","1.236","","","","has coordinates","222663","2020-10-21","18:00:00",""
"4034107","8.431","0.002","9.685","0.002","20.623","0.006","90","","90","","90","","1684","0.7","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","1","","Li, Ming; Wang, Jia-Hui; Li, Wei; Lin, Cheng-Dong; Zhang, Lin-Bao; Wen, Li-Rong","N-Phenoxyamides as Multitasking Reagents: Base-Controlled Selective Construction of Benzofurans or Dihydrobenzofuro[2,3- d]oxazoles.","The Journal of organic chemistry","2019","84","13","8523","8530","10.1021/acs.joc.9b00858","","","0.71073","MoKα","","0.0499","0.0487","","","0.1208","0.1218","","","","","","1.129","","","","has coordinates","222664","2020-10-21","18:00:00",""
"4034164","19.3947","0.0006","17.2114","0.0005","25.7129","0.0008","90","","90","","90","","8583.2","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H20 O2 -","- C81 H20 O2 -","- C648 H160 O16 -","8","1","","Yamada, Michio; Takizawa, Mayu; Nukatani, Yoko; Suzuki, Mitsuaki; Maeda, Yutaka","Synthesis of Fullerene-Fluorene Dyads through the Platinum-Catalyzed Reactions of [60]Fullerene with 9-Ethynyl-9<i>H</i>-fluoren-9-yl Carboxylates.","The Journal of organic chemistry","2019","84","14","9025","9033","10.1021/acs.joc.9b00932","","","0.71073","MoKα","","0.101","0.0597","","","0.1391","0.177","","","","","","1.054","","","","has coordinates,has disorder","222714","2020-10-21","18:00:00",""
"4034256","11.0629","0.0016","16.601","0.003","19.901","0.003","90","","90","","90","","3654.9","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cl I N2 S -","- C19 H16 Cl I N2 S -","- C152 H128 Cl8 I8 N16 S8 -","8","1","","Wang, Lanying; Lin, Wenxia; Sun, Wei; Yan, Mengqi; Zhao, Junlong; Guan, Li; Deng, Wenting; Zhang, Yongqiang","Meso-Substituent-Directed Aggregation Behavior and Water Solubility: Direct Functionalization of Methine Chain in Thiazole Orange and Biological Applications in Aqueous Buffer.","The Journal of organic chemistry","2019","84","7","3960","3967","10.1021/acs.joc.8b03122","","","0.71073","MoKα","","0.1366","0.0568","","","0.1018","0.1247","","","","","","1.02","","","","has coordinates","222799","2020-10-21","18:00:00",""
"4034304","7.6849","0.0006","26.3848","0.0012","37.699","0.002","90","","90","","90","","7644","0.8","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H50 O S2 Si2 -","- C42 H50 O S2 Si2 -","- C336 H400 O8 S16 Si16 -","8","1","","Zhou, Chenxi; Gu, Wen; Zhang, Guowei; Liu, Lele; Lv, Aifeng; Zhang, Lei","Isomeric Pyrenodithiophenediones and Their Derivatives: Synthesis, Reactivity, and Device Performance.","The Journal of organic chemistry","2019","84","9","5936","5942","10.1021/acs.joc.9b00579","","","0.71073","MoKα","","0.1606","0.0909","","","0.1926","0.2299","","","","","","1.04","","","","has coordinates,has disorder","222848","2020-10-21","18:00:00",""
"4034320","10.822","0.002","10.616","0.003","24.636","0.006","90","","90","","90","","2830.3","1.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N O3 Si -","- C15 H15 N O3 Si -","- C120 H120 N8 O24 Si8 -","8","1","","Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko","Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.","The Journal of organic chemistry","2019","84","9","5667","5676","10.1021/acs.joc.9b00598","","","0.71075","MoKα","","0.0562","0.0535","","","0.1273","0.1292","","","","","","1.129","","","","has coordinates","222859","2020-10-21","18:00:00",""
"4034349","16.7664","0.0005","7.0835","0.0002","23.4964","0.0008","90","","90","","90","","2790.55","0.15","150","2","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 I2 -","- C15 H12 I2 -","- C120 H96 I16 -","8","1","","Devaraj, Karthik; Ingner, Fredric J. L.; Sollert, Carina; Gates, Paul J.; Orthaber, Andreas; Pilarski, Lukasz T.","Arynes and Their Precursors from Arylboronic Acids via Catalytic C-H Silylation.","The Journal of organic chemistry","2019","84","9","5863","5871","10.1021/acs.joc.9b00221","","","0.71073","MoKα","","0.0385","0.0295","","","0.0587","0.0619","","","","","","1.025","","","","has coordinates","222887","2020-10-21","18:00:00",""
"4034441","15.48","0.005","11.486","0.004","23.094","0.008","90","","90","","90","","4106","2","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H18 F3 N3 O -","- C25 H18 F3 N3 O -","- C200 H144 F24 N24 O8 -","8","1","","Li, Kun; Chen, Li; Fan, Yun-Xiang; Wei, Yao; Yan, Sheng-Jiao","Multicomponent Tether Catalysis Synthesis of Highly Functionalized 4-(Pyridin-2-ylmethyl)-2-aminopyrroles via Cascade Reaction Is Accompanied by Decarboxylation.","The Journal of organic chemistry","2019","84","18","11971","11982","10.1021/acs.joc.9b01814","","","0.71073","MoKα","","0.203","0.0657","","","0.1057","0.1532","","","","","","0.997","","","","has coordinates,has disorder","222959","2020-10-21","18:00:00",""
"4034462","16.9833","0.0006","6.3684","0.0003","19.2501","0.0005","90","","90","","90","","2082.02","0.13","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 F5 N O4 -","- C9 H6 F5 N O4 -","- C72 H48 F40 N8 O32 -","8","1","","Khatri, Hari R.; Han, Changho; Luong, Erica; Pan, Xiaoliang; Adam, Amna T.; Alshammari, Maali D.; Shao, Yihan; Colby, David A.","Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes.","The Journal of organic chemistry","2019","84","18","11665","11675","10.1021/acs.joc.9b01595","","","0.71073","MoKα","","0.0444","0.035","","","0.0918","0.0975","","","","","","1.048","","","","has coordinates","222980","2020-10-21","18:00:00",""
"4034488","14.4446","0.0002","16.2063","0.0002","21.8323","0.0003","90","","90","","90","","5110.8","0.12","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 O S -","- C34 H32 O S -","- C272 H256 O8 S8 -","8","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Leśniewska, Barbara; Pietraszkiewicz, Oksana; Pietraszkiewicz, Marek","Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom.","The Journal of organic chemistry","2019","84","18","11553","11561","10.1021/acs.joc.9b01397","","","1.54184","CuKα","","0.0688","0.0666","","","0.1624","0.1637","","","","","","1.058","","","","has coordinates,has disorder","222994","2020-10-21","18:00:00",""
"4034524","19.2816","0.0006","14.7591","0.0004","20.9864","0.0007","90","","90","","90","","5972.3","0.3","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Br4 I2 In N2 O3 -","- C23 H21 Br4 I2 In N2 O3 -","- C184 H168 Br32 I16 In8 N16 O24 -","8","1","","Kang, Kyoungmin; Nishimoto, Yoshihiro; Yasuda, Makoto","Regio- and Stereoselective Carboindation of Internal Alkynyl Ethers with Organosilicon or -stannane Nucleophiles.","The Journal of organic chemistry","2019","84","21","13345","13363","10.1021/acs.joc.9b01505","","","0.71073","MoKα","","","0.0456","","","","0.0332","","","","","","1.663","","","","has coordinates","223029","2020-10-21","18:00:00",""
"4034588","9.2235","0.0003","9.2912","0.0003","31.3829","0.001","90","","90","","90","","2689.43","0.15","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 F6 N3 -","- C14 H11 F6 N3 -","- C112 H88 F48 N24 -","8","1","","Matsumoto, Shota; Fuchi, Yasufumi; Usui, Kazuteru; Hirai, Go; Karasawa, Satoru","Development of Turn-On Probes for Acids Triggered by Aromaticity Enhancement Using Tricyclic Amidine Derivatives.","The Journal of organic chemistry","2019","84","11","6612","6622","10.1021/acs.joc.9b00023","","","1.54187","CuKα","","","0.0657","","","","0.1414","","","","","","1.048","","","","has coordinates","223074","2020-10-21","18:00:00",""
"4034591","15.2452","0.0003","17.0853","0.0003","19.0868","0.0003","90","","90","","90","","4971.52","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C272 H216 N8 O16 -","8","1","","Filatov, Alexander S.; Wang, Siqi; Khoroshilova, Olesya V.; Lozovskiy, Stanislav V.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Stereo- and Regioselective 1,3-Dipolar Cycloaddition of the Stable Ninhydrin-Derived Azomethine Ylide to Cyclopropenes: Trapping of Unstable Cyclopropene Dipolarophiles.","The Journal of organic chemistry","2019","84","11","7017","7036","10.1021/acs.joc.9b00753","","x-ray","1.54184","CuKα","","0.0392","0.037","","","0.0919","0.0935","","","","","","1.031","","","","has coordinates","223077","2020-10-21","18:00:00",""
"4034596","21.6654","0.0004","9.6032","0.0002","29.9888","0.0007","90","","90","","90","","6239.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cl N2 O -","- C17 H17 Cl N2 O -","- C272 H272 Cl16 N32 O16 -","16","2","","Sampani, Stavroula I.; McGown, Andrew; Vargas, Alfredo; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Spencer, John; Kostakis, George E.","Solvent-Free Synthesis and Key Intermediate Isolation in Ni<sub>2</sub>Dy<sub>2</sub> Catalyst Development in the Domino Ring-Opening Electrocyclization Reaction of Furfural and Amines.","The Journal of organic chemistry","2019","84","11","6858","6867","10.1021/acs.joc.9b00608","","x-ray","1.54178","CuKα","","0.0851","0.0754","","","0.1657","0.1694","","","","","","1.239","","","","has coordinates,has disorder","223081","2020-10-21","18:00:00",""
"4034627","20.7396","0.0004","8.9839","0.0002","21.9017","0.0005","90","","90","","90","","4080.78","0.15","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Yoshida, Yasushi; Hiroshige, Tomohiko; Omori, Kazuki; Mino, Takashi; Sakamoto, Masami","Chemo- and Regioselective Asymmetric Synthesis of Cyclic Enamides through the Catalytic Umpolung Organocascade Reaction of α-Imino Amides.","The Journal of organic chemistry","2019","84","11","7362","7371","10.1021/acs.joc.9b01036","","","1.54178","CuKα","","0.0419","0.0376","","","0.1037","0.1081","","","","","","1.05","","","","has coordinates","223104","2020-10-21","18:00:00",""
"4034699","7.1537","0.0001","19.3801","0.0003","20.9999","0.0004","90","","90","","90","","2911.41","0.08","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Hiscock, Lana K.; Yao, Chengzhang; Skene, William G.; Dawe, Louise N.; Maly, Kenneth Edward","Synthesis of Emissive Heteroacene Derivatives via Nucleophilic Aromatic Substitution.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02523","","x-ray","1.54184","CuKα","","0.0694","0.0671","","","0.15","0.1511","","","","","","1.363","","","","has coordinates","224732","2020-10-21","18:00:00",""
"4034728","11.472","0.0005","17.9909","0.0009","24.4226","0.0012","90","","90","","90","","5040.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O6 -","- C29 H32 O6 -","- C232 H256 O48 -","8","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.1097","0.0637","","","0.1802","0.2284","","","","","","0.966","","","","has coordinates","226251","2020-10-21","18:00:00",""
"4034743","11.8445","0.001","17.0045","0.0014","19.8152","0.0016","90","","90","","90","","3991","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C184 H160 N16 O24 S8 -","8","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0508","0.0379","","","0.0982","0.1115","","","","","","1.054","","","","has coordinates","226266","2020-10-21","18:00:00",""
"4034770","6.623","0.003","18.287","0.009","33.616","0.015","90","","90","","90","","4071","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N7 O6 S -","- C18 H21 N7 O6 S -","- C144 H168 N56 O48 S8 -","8","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.398","0.0773","","","0.1124","0.1844","","","","","","0.852","","","","has coordinates","226293","2020-10-21","18:00:00",""
"4034777","10.8054","0.0008","7.8126","0.0006","28.528","0.003","90","","90","","90","","2408.3","0.4","298.84","0.1","298.84","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C88 H96 F24 N8 O16 S8 -","8","1","","Wang, Xue-Juan; Su, Yan; Li, Rui; Gu, Peiming","Tf<sub>2</sub>O-Promoted Intramolecular Schmidt Reaction of the ω-Azido Carboxylic Acids.","The Journal of organic chemistry","2018","83","10","5816","5824","10.1021/acs.joc.8b00475","","x-ray","0.71073","MoKα","","0.0626","0.0447","","","0.1321","0.1499","","","","","","0.966","","","","has coordinates","226300","2020-10-21","18:00:00",""
"4034791","9.6013","0.0004","15.5775","0.0006","20.8542","0.0008","90","","90","","90","","3119","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C120 H136 N8 O24 S8 -","8","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.068","0.0497","","","0.13","0.1478","","","","","","1.023","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034807","13.9856","0.0005","12.0156","0.0005","15.6049","0.0006","90","","90","","90","","2622.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,5-Triethyl-3,4-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole 1-oxide","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C96 H184 N8 O24 -","8","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.0643","0.0517","","","0.1318","0.1419","","","","","","1.058","","","","has coordinates","226327","2020-10-21","18:00:00",""
"4034811","11.9655","0.0003","15.3718","0.0004","16.7007","0.0004","90","","90","","90","","3071.78","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I2 -","- C19 H18 I2 -","- C152 H144 I16 -","8","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0319","0.0253","","","0.0672","0.0711","","","","","","1.04","","","","has coordinates","226331","2020-10-21","18:00:00",""
"4034839","18.9528","0.0012","8.6413","0.0004","20.2208","0.0012","90","","90","","90","","3311.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F O2 -","- C22 H17 F O2 -","- C176 H136 F8 O16 -","8","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0874","0.048","","","0.0998","0.119","","","","","","1.067","","","","has coordinates","226359","2020-10-21","18:00:00",""
"4034856","11.2787","0.0002","10.57881","0.00017","31.2091","0.0005","90","","90","","90","","3723.72","0.11","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0547","0.0408","","","0.1096","0.122","","","","","","1.009","","","","has coordinates","226376","2020-10-21","18:00:00",""
"4034870","16.0549","0.0014","6.3429","0.0006","27.394","0.003","90","","90","","90","","2789.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0793","0.0463","","","0.1299","0.1488","","","","","","1.022","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034877","13.866","0.002","9.4032","0.0015","22.169","0.004","90","","90","","90","","2890.5","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C128 H128 O32 S8 -","8","1","","Gao, Yuzhen; Zhang, Pengbo; Li, Gang; Zhao, Yufen","Cascade Annulation of 2-Alkynylthioanisoles with Unsaturated α-Bromocarbonyls Leading to Thio-Benzobicyclic Skeletons.","The Journal of organic chemistry","2018","83","22","13726","13733","10.1021/acs.joc.8b02001","","","0.71073","MoKα","","0.0667","0.0609","","","0.1888","0.1982","","","","","","0.764","","","","has coordinates","226397","2020-10-21","18:00:00",""
"4034893","9.1643","0.0002","15.052","0.0003","21.5352","0.0005","90","","90","","90","","2970.59","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Ryu, Heesun; Seo, Jeongseob; Ko, Haye Min","Synthesis of Spiro[oxindole-3,2'-pyrrolidine] Derivatives from Benzynes and Azomethine Ylides through 1,3-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","22","14102","14109","10.1021/acs.joc.8b02117","","","0.71073","MoKα","","0.0582","0.0444","","","0.1056","0.1138","","","","","","1.034","","","","has coordinates","226408","2020-10-21","18:00:00",""
"4034894","7.9342","0.0017","16.527","0.004","21.431","0.005","90","","90","","90","","2810.2","1.1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C160 H96 O16 S8 -","8","1","","Shi, Juan; Kang, Yang; Wang, Tao; Liang, Yong; Zhang, Zunting","Synthesis of Polycyclic Heteroaromatic Coumarins via Photoinduced Dehydrogenative Annulation of 4-Phenyl-3-heteroarylcoumarins.","The Journal of organic chemistry","2018","83","22","13940","13948","10.1021/acs.joc.8b02290","","","1.54178","CuKα","","0.0551","0.0444","","","0.1175","0.1201","","","","","","1.109","","","","has coordinates","226409","2020-10-21","18:00:00",""
"4034904","13.4763","0.0008","18.3817","0.001","25.4001","0.0013","90","","90","","90","","6292","0.6","173","2","173.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl2 N O3 P -","- C37 H32 Cl2 N O3 P -","- C296 H256 Cl16 N8 O24 P8 -","8","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.1197","0.0785","","","0.1926","0.2189","","","","","","1.043","","","","has coordinates,has disorder","226420","2020-10-21","18:00:00",""
"4034923","10.6757","0.0019","9.8486","0.0017","27.386","0.005","90","","90","","90","","2879.4","0.9","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0663","0.0416","","","0.0942","0.1061","","","","","","1.056","","","","has coordinates","226438","2020-10-21","18:00:00",""
"4034930","5.7958","0.00006","14.35143","0.00015","43.7743","0.0005","90","","90","","90","","3641.06","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H29 N O5 -","- C18 H29 N O5 -","- C144 H232 N8 O40 -","8","1","","Matías, Desirée M; Johnson, Jeffrey S.","Synthesis and Desymmetrization of meso Tricyclic Systems Derived from Benzene Oxide.","The Journal of organic chemistry","2018","83","8","4859","4866","10.1021/acs.joc.8b00523","","","1.54178","CuKα","","0.0638","0.0491","","","0.1242","0.1336","","","","","","1.057","","","","has coordinates","226445","2020-10-21","18:00:00",""
"4034942","11.2915","0.0005","7.6426","0.0002","37.0847","0.0016","90","","90","","90","","3200.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.2057","0.1116","","","0.1908","0.2266","","","","","","1.114","","","","has coordinates","226452","2020-10-21","18:00:00",""
"4034968","10.1854","0.0001","7.0105","0.0001","31.6018","0.0003","90","","90","","90","","2256.52","0.04","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-chloro-5-methoxy-1-methyl-4-phenyl-1,5-dihydro-2H-pyrrol-2-one","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0698","0.0395","","","0.0964","0.1095","","","","","","1.036","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034987","7.2443","0.0004","21.6508","0.0013","31.7616","0.0019","90","","90","","90","","4981.6","0.5","296","","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","DiMeMonoPhIndenotetracene","2-methyl-10-phenyl-9-(p-tolyl)indeno[1,2,3-fg]tetracene","","- C38 H26 -","- C37.791 H27.261 -","- C302.328 H218.088 -","8","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","0.71073","MoKα","","0.0919","0.0516","","","0.1385","0.1734","","","","","","1.055","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034993","10.6419","0.0005","9.2073","0.0004","22.7567","0.0012","90","","90","","90","","2229.77","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0562","0.0404","","","0.0931","0.1008","","","","","","1.034","","","","has coordinates","226496","2020-10-21","18:00:00",""
"4035057","16.8993","0.0002","13.773","0.0001","17.8139","0.0002","90","","90","","90","","4146.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0453","0.0388","","","0.095","0.0995","","","","","","1.054","","","","has coordinates","226555","2020-10-21","18:00:00",""
"4035060","7.9586","0.0002","15.7174","0.0006","30.9471","0.001","90","","90","","90","","3871.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N3 O5 S -","- C22 H18 F N3 O5 S -","- C176 H144 F8 N24 O40 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1035","0.106","","","","","","1.056","","","","has coordinates","226558","2020-10-21","18:00:00",""
"4035128","14.3105","0.0006","18.8797","0.0008","24.8734","0.0011","90","","90","","90","","6720.2","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C43 H42 O -","- C43 H42 O -","- C344 H336 O8 -","8","1","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Hazra, Raju; Anand, Ramasamy Vijaya","1,6-Hydroolefination and Cascade Cyclization of p-Quinone Methides with Styrenes: Total Synthesis of (±)-Isopaucifloral F.","The Journal of organic chemistry","2018","83","17","10107","10119","10.1021/acs.joc.8b01401","","x-ray","0.71073","MoKα","","0.0575","0.0445","","","0.1128","0.1299","","","","","","1.065","","","","has coordinates","226613","2020-10-21","18:00:00",""
"4035147","17.855","0.003","7.9583","0.0015","18.76","0.003","90","","90","","90","","2665.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","CML-II-141 from acetone","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0442","0.0358","","","0.088","0.0934","","","","","","1.032","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035185","8.17797","0.00015","14.6247","0.0003","27.2033","0.0005","90","","90","","90","","3253.52","0.11","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C136 H112 N48 O16 -","8","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0432","0.0367","","","0.0866","0.0897","","","","","","1.034","","","","has coordinates","226662","2020-10-21","18:00:00",""
"4035209","9.9204","0.0007","11.0141","0.0008","25.763","0.002","90","","90","","90","","2815","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0482","0.0366","","","0.0895","0.0947","","","","","","1.045","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035220","10.877","0.003","20.729","0.006","21.133","0.006","90","","90","","90","","4765","2","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N3 O2 -","- C28 H27 N3 O2 -","- C224 H216 N24 O16 -","8","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.1409","0.0751","","","0.1544","0.187","","","","","","1.042","","","","has coordinates","226695","2020-10-21","18:00:00",""
"4035222","14.0177","0.0005","7.74","0.0003","20.7641","0.0007","90","","90","","90","","2252.84","0.14","100","0.2","100","0.2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0597","0.0493","","","0.1209","0.1281","","","","","","1.053","","","","has coordinates","226697","2020-10-21","18:00:00",""
"4035245","10.9387","0.0005","13.5166","0.0007","21.8934","0.0015","90","","90","","90","","3237","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H16 B F2 N3 O2 S -","- C17 H16 B F2 N3 O2 S -","- C136 H128 B8 F16 N24 O16 S8 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0876","0.0617","","","0.1539","0.1666","","","","","","1.05","","","","has coordinates","226711","2020-10-21","18:00:00",""
"4035298","9.2316","0.0003","24.672","0.0008","32.5936","0.001","90","","90","","90","","7423.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H16 B2 F18 O S2 -","- C38 H16 B2 F18 O S2 -","- C304 H128 B16 F144 O8 S16 -","8","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0642","0.0526","","","0.1409","0.1534","","","","","","1.028","","","","has coordinates,has disorder","226762","2020-10-21","18:00:00",""
"4035318","12.7547","0.0017","11.3387","0.0015","16.8","0.002","90","","90","","90","","2429.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","0.71073","","","0.08","0.045","","","0.1001","0.1121","","","","","","0.968","","","","has coordinates","226782","2020-10-21","18:00:00",""
"4035333","15.4804","0.0004","7.6884","0.0002","20.7339","0.0006","90","","90","","90","","2467.74","0.12","100.3","0.4","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 F3 N3 O -","- C14 H8 F3 N3 O -","- C112 H64 F24 N24 O8 -","8","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0396","0.0366","","","0.1002","0.1035","","","","","","1.106","","","","has coordinates","226797","2020-10-21","18:00:00",""
"4035336","8.1651","0.0004","8.2944","0.0004","22.5849","0.001","90","","90","","90","","1529.55","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F2 O2 -","- C7 H12 F2 O2 -","- C56 H96 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0464","0.0371","","","0.0859","0.0927","","","","","","1.06","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035362","19.6401","0.0006","10.0875","0.0002","21.1461","0.0007","90","","90","","90","","4189.5","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C232 H168 N8 O16 -","8","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0541","0.0424","","","0.0998","0.1071","","","","","","1.027","","","","has coordinates","226819","2020-10-21","18:00:00",""
"4035376","11.8228","0.0002","12.38285","0.00019","20.3843","0.0004","90","","90","","90","","2984.26","0.09","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 Cl N O3 S -","- C17 H12 Cl N O3 S -","- C136 H96 Cl8 N8 O24 S8 -","8","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0347","0.0302","","","0.0754","0.0784","","","","","","1.039","","","","has coordinates","226833","2020-10-21","18:00:00",""
"4035383","20.0068","0.001","19.8255","0.001","10.7525","0.0005","90","","90","","90","","4264.9","0.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C208 H184 N8 O24 S8 -","8","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0799","0.0664","","","0.194","0.2056","","","","","","1.086","","","","has coordinates","226840","2020-10-21","18:00:00",""
"4035391","26.198","0.0011","15.139","0.0005","31.8305","0.0011","90","","90","","90","","12624.3","0.8","179.3","","179.3","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C136 H128 Cl12 N18 -","- C136 H128 Cl12 N18 -","- C544 H512 Cl48 N72 -","4","0.5","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1354","0.0956","","","0.2588","0.3128","","","","","","1.028","","","","has coordinates,has disorder","226848","2020-10-21","18:00:00",""
"4035392","7.7838","0.0002","16.9514","0.0005","21.2298","0.0007","90","","90","","90","","2801.19","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Cruz, Daniel A.; Sinka, Victoria; Martín, Víctor S; Padrón, Juan I","Iron-Catalyzed Prins-Peterson Reaction for the Direct Synthesis of Δ<sup>4</sup>-2,7-Disubstituted Oxepenes.","The Journal of organic chemistry","2018","83","20","12632","12647","10.1021/acs.joc.8b01978","","","1.54184","CuKα","","0.0444","0.0391","","","0.1066","0.1131","","","","","","1.055","","","","has coordinates","226849","2020-10-21","18:00:00",""
"4035398","8.7861","0.0003","19.9084","0.0006","21.7332","0.0007","90","","90","","90","","3801.5","0.2","293","0.2","293","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C192 H144 O32 -","8","1","","Liu, Yan-Qing; Li, Qing-Zhu; Zhu, Hong-Ping; Feng, Xin; Peng, Cheng; Huang, Wei; Li, Jun-Long; Han, Bo","Direct Sulfide-Catalyzed Diastereoselective [4+1] Annulations of ortho-Quinone Methides and Bromides.","The Journal of organic chemistry","2018","83","20","12753","12762","10.1021/acs.joc.8b02189","","x-ray","1.54184","CuKα","","0.07","0.0629","","","0.1586","0.1711","","","","","","1.032","","","","has coordinates","226855","2020-10-21","18:00:00",""
"4035410","11.6882","0.0003","10.5838","0.0003","30.9945","0.0011","90","","90","","90","","3834.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0485","0.0433","","","0.1052","0.1099","","","","","","1.045","","","","has coordinates","226868","2020-10-21","18:00:00",""
"4035460","15.2591","0.0003","6.82403","0.00012","37.8298","0.0007","90","","90","","90","","3939.16","0.13","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Si -","- C26 H22 Si -","- C208 H176 Si8 -","8","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Takano, Hideaki; Sato, Tatsuki; Kanyiva, Kyalo Stephen","Ir-Catalyzed Synthesis of Substituted Tribenzosilepins by Dehydrogenative C-H/Si-H Coupling.","The Journal of organic chemistry","2018","83","7","3426","3432","10.1021/acs.joc.8b00233","","","1.54187","CuKα","","0.0395","0.0372","","","0.1017","0.1035","","","","","","1.04","","","","has coordinates","226915","2020-10-21","18:00:00",""
"4035508","15.832","0.004","17.439","0.005","19.676","0.006","90","","90","","90","","5432","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Barak, Dinesh S.; Dighe, Shashikant U.; Avasthi, Ilesha; Batra, Sanjay","Iodine-Catalyzed Diazenylation with Arylhydrazine Hydrochlorides in Air.","The Journal of organic chemistry","2018","83","7","3537","3546","10.1021/acs.joc.7b03149","","","0.71073","MoKα","","0.0509","0.041","","","0.103","0.1096","","","","","","1.023","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035547","17.9614","0.001","8.0269","0.0005","19.3808","0.001","90","","90","","90","","2794.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C136 H88 F24 O16 -","8","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0891","0.0637","","","0.1626","0.1783","","","","","","1.038","","","","has coordinates","226995","2020-10-21","18:00:00",""
"4035571","9.15169","0.00016","16.2452","0.0002","24.955","0.0003","90","","90","","90","","3710.09","0.09","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0449","0.04","","","0.1053","0.1111","","","","","","1.076","","","","has coordinates","227019","2020-10-21","18:00:00",""
"4035581","16.2482","0.0003","8.3987","0.0002","25.8","0.0006","90","","90","","90","","3520.76","0.13","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O2 S -","- C18 H20 Br N O2 S -","- C144 H160 Br8 N8 O16 S8 -","8","1","","Maiti, Saikat; Bose, Anima; Mal, Prasenjit","Oxidative N-Arylation for Carbazole Synthesis by C-C Bond Activation.","The Journal of organic chemistry","2018","83","15","8127","8138","10.1021/acs.joc.8b00921","","","0.71073","MoKα","","0.0665","0.0356","","","0.0826","0.0961","","","","","","1.011","","","","has coordinates","227029","2020-10-21","18:00:00",""
"4035650","11.1361","0.0007","7.7797","0.0004","30.9551","0.0019","90","","90","","90","","2681.8","0.3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C19 H18 -","- C19 H18 -","- C152 H144 -","8","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0522","0.0411","","","0.0947","0.1114","","","","","","1.077","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035656","14.8638","0.0003","15.2757","0.0003","38.7031","0.0007","90","","90","","90","","8787.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H66 N2 O7 S Si2 -","- C41 H66 N2 O7 S Si2 -","- C328 H528 N16 O56 S8 Si16 -","8","1","","Huang, Wen-Yu; Nishikawa, Toshio; Nakazaki, Atsuo","Toward a Synthesis of Fawcettimine-Type Lycopodium Alkaloids: Stereocontrolled Synthesis of a Functionalized Azaspirocycle Precursor.","The Journal of organic chemistry","2018","83","18","11108","11117","10.1021/acs.joc.8b01719","","","1.54187","CuKα","","0.0803","0.0638","","","0.17","0.1806","","","","","","1.055","","","","has coordinates,has disorder","227104","2020-10-21","18:00:00",""
"4035705","9.1003","0.0001","18.7035","0.0002","20.7543","0.0002","90","","90","","90","","3532.54","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Sun, Kai; Chen, Xiao-Lan; Li, Shi-Jun; Wei, Dong-Hui; Liu, Xiao-Ceng; Zhang, Yin-Li; Liu, Yan; Fan, Lu-Lu; Qu, Ling-Bo; Yu, Bing; Li, Kai; Sun, Yuan-Qiang; Zhao, Yu-Fen","Copper-Catalyzed Radical Cascade Cyclization To Access 3-Sulfonated Indenones with the AIE Phenomenon.","The Journal of organic chemistry","2018","83","23","14419","14430","10.1021/acs.joc.8b02175","","x-ray","1.54184","CuKα","","0.0353","0.0329","","","0.0888","0.0904","","","","","","1.068","","","","has coordinates","227154","2020-10-21","18:00:00",""
"4035706","18.775","0.007","10.002","0.004","31.332","0.012","90","","90","","90","","5884","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C272 H256 O48 -","16","2","","Zeng, Linwei; Lai, Zhencheng; Cui, Sunliang","One-Pot Reaction of Carboxylic Acids and Ynol Ethers for The Synthesis of β-Keto Esters.","The Journal of organic chemistry","2018","83","23","14834","14841","10.1021/acs.joc.8b02715","","","0.71073","MoKα","","0.3378","0.0896","","","0.2041","0.3219","","","","","","0.933","","","","has coordinates","227155","2020-10-21","18:00:00",""
"4035779","13.6366","0.0008","24.0463","0.0011","36.97","0.002","90","","90","","90","","12122.8","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C656 H512 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1129","0.059","","","0.1202","0.1335","","","","","","1.022","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035844","12.0094","0.0017","9.0315","0.0011","59.748","0.006","90","","90","","90","","6480.4","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C288 H304 N16 O64 -","16","2","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.2183","0.09","","","0.2084","0.2593","","","","","","1.014","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035846","10.874","0.002","8.3249","0.0015","19.94","0.004","90","","90","","90","","1805.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N -","- C11 H13 N -","- C88 H104 N8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1278","0.0468","","","0.0828","0.098","","","","","","0.888","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035878","23.9941","0.00019","11.7595","0.00008","24.6196","0.00016","90","","90","","90","","6946.63","0.09","173.2","0.3","173.2","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H25 N11 O7 S -","- C34 H25 N11 O7 S -","- C272 H200 N88 O56 S8 -","8","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","x-ray","1.54184","CuKα","","0.0638","0.0445","","","0.1125","0.1246","","","","","","1.022","","","","has coordinates","227286","2020-10-21","18:00:00",""
"4035900","14.0029","0.0003","13.7401","0.0003","14.1052","0.0003","90","","90","","90","","2713.86","0.1","98","","98","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","RM4010","","- C14 H16 Ag Cl N2 -","- C14 H16 Ag Cl N2 -","- C112 H128 Ag8 Cl8 N16 -","8","1","","Ando, Shin; Miyata, Ryota; Matsunaga, Hirofumi; Ishizuka, Tadao","Influences of Phenyl Rings on NHC Ligands with Bicyclic Architectures.","The Journal of organic chemistry","2019","84","1","128","139","10.1021/acs.joc.8b02480","","x-ray","0.71075","MoKα","","0.0439","0.0413","","","0.1067","0.1078","","","","","","1.276","","","","has coordinates","275143","2022-05-06","20:26:43",""
"4035906","22.412","0.004","21.631","0.004","30.193","0.005","90","","90","","90","","14637","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C71 H44 Cl6 F20 N8 O8 Os2 -","- C568 H352 Cl48 F160 N64 O64 Os16 -","8","1","","Hewage, Nisansala; Daddario, Pedro; Lau, Kimberly S. F.; Guberman-Pfeffer, Matthew J; Gascón, José A; Zeller, Matthias; Lee, Christal O.; Khalil, Gamal E.; Gouterman, Martin; Brückner, Christian","Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin.","The Journal of organic chemistry","2019","84","1","239","256","10.1021/acs.joc.8b02628","","","0.71073","MoKα","","0.1639","0.0971","","","0.2096","0.2435","","","","","","1.07","","","","has coordinates","227306","2020-10-21","18:00:00",""
"4035913","7.4505","0.0006","11.269","0.0009","31.662","0.002","90","","90","","90","","2658.3","0.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","1","","An, Hejun; Mai, Shaoyu; Xuan, Qingqing; Zhou, Yao; Song, Qiuling","Gold-Catalyzed Radical-Involved Intramolecular Cyclization of Internal N-Propargylamides for the Construction of 5-Oxazole Ketones.","The Journal of organic chemistry","2019","84","1","401","408","10.1021/acs.joc.8b02334","","x-ray","0.71073","MoKα","","0.0846","0.0586","","","0.1342","0.169","","","","","","0.9801","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035934","13.4466","0.0003","9.1948","0.0002","17.3481","0.0004","90","","90","","90","","2144.9","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C88 H104 N8 O24 -","8","1","","Ondari, Mark E.; Klosin, Jerzy; Froese, Robert D. J.; Kruper, William R.; MacDonald, Jason; Arriola, Dan J.; Bell, Bruce M.; Briggs, John R.; Kruper, William J.","Mechanistic and Synthetic Implications of the Diol-Ritter Reaction: Unexpected Yet Reversible Pathways in the Regioselective Synthesis of Vicinal-Aminoalcohols.","The Journal of organic chemistry","2019","84","8","4715","4722","10.1021/acs.joc.8b02320","","","0.71073","MoKα","","0.0406","0.0319","","","0.0783","0.0842","","","","","","1.025","","","","has coordinates","227327","2020-10-21","18:00:00",""
"4035946","10.1629","0.0005","14.3553","0.0006","20.1376","0.001","90","","90","","90","","2937.9","0.2","299.12","0.1","299.12","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 F3 N3 O2 -","- C16 H14 F3 N3 O2 -","- C128 H112 F24 N24 O16 -","8","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","","0.71073","MoKα","","0.0466","0.0383","","","0.0898","0.0949","","","","","","1.024","","","","has coordinates","227339","2020-10-21","18:00:00",""
"4035951","25.423","0.003","15.6051","0.0015","28.953","0.003","90","","90","","90","","11486","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Me+O-NHC","Me+O-NHC","","- C102 H24 Lu3 N3 O S2 -","- C102 H24 Lu2.9999 N3 O S2 -","- C816 H192 Lu23.9992 N24 O8 S16 -","8","1","","Shen, Wangqiang; Yang, Le; Wu, Yongbo; Bao, Lipiao; Li, Ying; Jin, Peng; Fang, Hongyun; Xie, Yunpeng; Lu, Xing","Reactions between N-Heterocyclic Carbene and Lutetium-Metallofullerenes: High Regioselectivity Directed by Electronic Effect in Addition to Steric Hindrance.","The Journal of organic chemistry","2019","84","2","606","612","10.1021/acs.joc.8b02423","","","0.71073","MoKα","","0.0916","0.0789","","","0.1647","0.1716","","","","","","1.151","","","","has coordinates,has disorder","227344","2020-10-21","18:00:00",""
"4036000","12.4803","0.0001","17.4877","0.0001","18.5699","0.0002","90","","90","","90","","4052.91","0.06","123","2","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","9,9'-dimethoxy-3H,3'H-1,1'-bibenzo[f]chromene","","- C28 H22 O4 -","- C28 H22 O4 -","- C224 H176 O32 -","8","1","","Gawade, Prashant M.; Khose, Vaibhav N.; Badani, Purav M.; Hasan, Mohammed; Kaabel, Sandra; Mobin, Shaikh M.; Borovkov, Victor; Karnik, Anil V.","Benzyne-Mediated Nonconcerted Pathway toward Synthesis of Sterically Crowded [5]- and [7]Oxahelicenoids, Stereochemical and Theoretical Studies, and Optical Resolution of Helicenoids.","The Journal of organic chemistry","2019","84","2","860","868","10.1021/acs.joc.8b02507","","x-ray","1.54184","CuKα","","0.045","0.0427","","","0.1159","0.118","","","","","","1.032","","","","has coordinates","227374","2020-10-21","18:00:00",""
"4036153","12.5448","0.0006","11.8243","0.0005","21.3466","0.001","90","","90","","90","","3166.4","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C144 H136 N8 O24 S8 -","8","1","","Debnath, Sudarshan; Mondal, Shovan","One-pot Sonogashira coupling-cyclization toward regioselective synthesis of benzosultams.","The Journal of organic chemistry","2015","80","8","3940","3948","10.1021/acs.joc.5b00274","","","0.71073","MoKα","","0.0567","0.0467","","","0.1635","0.1829","","","","","","1.55","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4036182","13.8025","0.0013","12.8183","0.0006","16.7453","0.0008","90","","90","","90","","2962.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 B F4 N O -","- C14 H16 B F3.9996 N O -","- C112 H128 B8 F31.9968 N8 O8 -","8","1","","Barbero, Margherita; Buscaino, Roberto; Cadamuro, Silvano; Dughera, Stefano; Gualandi, Andrea; Marabello, Domenica; Cozzi, Pier Giorgio","Synthesis of bench-stable diarylmethylium tetrafluoroborates.","The Journal of organic chemistry","2015","80","9","4791","4796","10.1021/acs.joc.5b00418","","x-ray","0.71073","MoKα","","0.1005","0.0889","","","0.2737","0.2891","","","","","","1.012","","","","has coordinates,has disorder","234357","2020-10-21","18:00:00",""
"4036190","12.7329","0.0003","9.8758","0.0002","20.0466","0.0005","90","","90","","90","","2520.81","0.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Nielsen, Christian B.; White, Andrew J. P.; McCulloch, Iain","Effect of fluorination of 2,1,3-benzothiadiazole.","The Journal of organic chemistry","2015","80","10","5045","5048","10.1021/acs.joc.5b00430","","","0.71073","MoKα","","0.0614","0.0479","","","0.1323","0.1381","","","","","","1.15","","","","has coordinates,has disorder","234366","2020-10-21","18:00:00",""
"4036252","8.1336","0.0008","16.8844","0.0017","25.54","0.003","90","","90","","90","","3507.4","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C168 H168 N8 O24 -","8","1","","Sha, Feng; Tao, Yuan; Tang, Chen-Yu; Zhang, Fei; Wu, Xin-Yan","Construction of Benzo[c]carbazoles and Their Antitumor Derivatives through the Diels-Alder Reaction of 2-Alkenylindoles and Arynes.","The Journal of organic chemistry","2015","80","16","8122","8133","10.1021/acs.joc.5b01223","","","0.71073","MoKα","","0.0668","0.0506","","","0.1264","0.1408","","","","","","1.021","","","","has coordinates","234455","2020-10-21","18:00:00",""
"4036274","14.9074","0.0006","7.1186","0.0003","26.7266","0.0011","90","","90","","90","","2836.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H9 N3 S2 -","- C16 H9 N3 S2 -","- C128 H72 N24 S16 -","8","1","","Mitra, Shubhanjan; Ghosh, Monoranjan; Mishra, Subhajit; Hajra, Alakananda","Metal-Free Thiocyanation of Imidazoheterocycles through Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2015","80","16","8275","8281","10.1021/acs.joc.5b01369","","","0.71073","MoKα","","0.0827","0.0642","","","0.2326","0.25","","","","","","2.003","","","","has coordinates","234491","2020-10-21","18:00:00",""
"4036280","8.0665","0.0005","16.2776","0.0008","32.7774","0.0016","90","","90","","90","","4303.8","0.4","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 S2 -","- C22 H24 N2 O4 S2 -","- C176 H192 N16 O32 S16 -","8","1","","Yoshimatsu, Mitsuhiro; Tanaka, Miki; Fujimura, Yu; Ito, Yukiteru; Goto, Yusuke; Kobayashi, Yuka; Wasada, Hiroaki; Hatae, Noriyuki; Tanabe, Genzoh; Muraoka, Osamu","Synthesis of Azepines via a [6 + 1] Annulation of Ynenitriles with Reformatsky Reagents.","The Journal of organic chemistry","2015","80","19","9480","9494","10.1021/acs.joc.5b01397","","","0.71075","MoKα","","","0.068","","","","0.188","","","","","","1.108","","","","has coordinates","234502","2020-10-21","18:00:00",""
"4036309","13.5078","0.0008","9.166","0.0005","19.8312","0.0013","90","","90","","90","","2455.4","0.3","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,5-Dimethyl-N-phenyl-3,6-dihydro-2H-1,2-oxazine-2-carbox-amide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0528","0.0426","","","0.1151","0.1258","","","","","","1.021","","","","has coordinates,has disorder","234529","2020-10-21","18:00:00",""
"4036312","12.7936","0.0001","16.4968","0.0001","16.9867","0.0001","90","","90","","90","","3585.1","0.04","150","","150","","","","","","","","from U of Wollongong","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","1","","Gregson, Aaron M.; Wales, Steven M.; Bailey, Stephen J.; Willis, Anthony C.; Keller, Paul A.","Cyclic Phosphine Oxides and Phosphinamides from Di-Grignard Reagents and Phosphonic Dichlorides: Modular Access to Annulated Phospholanes.","The Journal of organic chemistry","2015","80","19","9774","9780","10.1021/acs.joc.5b01476","","","1.54184","CuKα","","0.0326","0.0319","","0.0852","0.0847","0.0852","","","","","","1.0041","","","","has coordinates","234531","2020-10-21","18:00:00",""
"4036388","7.968","0.002","20.772","0.006","26.086","0.008","90","","90","","90","","4318","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C52 H56 O12 -","- C52 H56 O12 -","- C208 H224 O48 -","4","0.5","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1614","0.0776","","","0.1775","0.2233","","","","","","1.01","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036396","11.97","0.0009","7.4348","0.0007","29.213","0.002","90","","90","","90","","2599.8","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C128 H112 O16 -","8","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0569","0.0398","","","0.0982","0.1115","","","","","","1.051","","","","has coordinates","234629","2020-10-21","18:00:00",""
"4036407","15.334","0.003","6.3606","0.0013","23.307","0.005","90","","90","","90","","2273.2","0.8","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C88 H96 I8 N8 O16 -","8","1","","Liu, Gong-Qing; Yang, Chun-Hua; Li, Yue-Ming","Modular Preparation of 5-Halomethyl-2-oxazolines via PhI(OAc)2-Promoted Intramolecular Halooxygenation of N-Allylcarboxamides.","The Journal of organic chemistry","2015","80","22","11339","11350","10.1021/acs.joc.5b01832","","","0.71073","MoKα","","0.0474","0.0382","","","0.0857","0.0911","","","","","","1.101","","","","has coordinates,has disorder","234644","2020-10-21","18:00:00",""
"4036414","16.4246","0.0005","11.9941","0.0004","17.9328","0.0005","90","","90","","90","","3532.73","0.19","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C152 H152 N8 O32 S8 -","8","1","","Bai, Yihui; Yin, Jing; Liu, Zhicheng; Zhu, Gangguo","Construction of 1-Naphthols via Benzannulation Based on the Reaction of Aryl tert-Butyl Ynol Ethers with Ynamides or Ynol Ethers.","The Journal of organic chemistry","2015","80","20","10226","10233","10.1021/acs.joc.5b01858","","","0.71073","MoKα","","","0.0453","","","0.1201","0.1402","","","","","","1.007","","","","has coordinates","234655","2020-10-21","18:00:00",""
"4036429","11.3083","0.0006","7.5075","0.0004","30.7521","0.0018","90","","90","","90","","2610.8","0.2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","1","","Chen, Jijun; Shao, Ying; Zheng, Hao; Cheng, Jiang; Wan, Xiaobing","Metal-Free Coupling of 2-Vinylphenols and Carboxylic Acids: An Access to 3-Acyloxy-2,3-dihydrobenzofurans.","The Journal of organic chemistry","2015","80","21","10734","10741","10.1021/acs.joc.5b01941","","","0.71073","MoKα","","0.0956","0.0563","","","0.1135","0.1273","","","","","","1.071","","","","has coordinates","234680","2020-10-21","18:00:00",""
"4036451","11.635","0.004","8.427","0.003","41.37","0.015","90","","90","","90","","4056","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H32 N2 O5 Si -","- C17 H32 N2 O5 Si -","- C136 H256 N16 O40 Si8 -","8","1","","Dong, Li; Geng, Caiwei; Jiao, Peng","Silyl Nitronate Cycloadditions Catalyzed by Cu(II)-Bisoxazoline.","The Journal of organic chemistry","2015","80","21","10992","11002","10.1021/acs.joc.5b02035","","","0.71073","MoKα","","0.1572","0.0865","","","0.1747","0.2014","","","","","","1.062","","","","has coordinates","234709","2020-10-21","18:00:00",""
"4036481","18.5763","0.0009","9.734","0.0005","19.8284","0.001","90","","90","","90","","3585.4","0.3","100","","99.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N2 O3 P -","- C20 H23 N2 O3 P -","- C160 H184 N16 O24 P8 -","8","1","","Mulla, Karimulla; Aleshire, Kyle L.; Forster, Paul M.; Kang, Jun Yong","Utility of Bifunctional N-Heterocyclic Phosphine (NHP)-Thioureas for Metal-Free Carbon-Phosphorus Bond Construction toward Regio- and Stereoselective Formation of Vinylphosphonates.","The Journal of organic chemistry","2016","81","1","77","88","10.1021/acs.joc.5b02184","","","0.71073","MoKα","","0.0388","0.0298","","","0.0768","0.0807","","","","","","0.999","","","","has coordinates","234751","2020-10-21","18:00:00",""
"4036490","8.1798","0.0002","18.7387","0.0005","26.748","0.0008","90","","90","","90","","4099.9","0.19","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H19 N O2 -","- C29 H19 N O2 -","- C232 H152 N8 O16 -","8","1","","Fischer, Fabian; Siegle, Alexander F.; Checinski, Marek; Fischer, Christine; Kral, Karolin; Thede, Richard; Trapp, Oliver; Hapke, Marko","Synthesis of Naphthylpyridines from Unsymmetrical Naphthylheptadiynes and the Configurational Stability of the Biaryl Axis.","The Journal of organic chemistry","2016","81","8","3087","3102","10.1021/acs.joc.5b02190","","","1.54178","CuKα","","0.0372","0.0337","","","0.0847","0.0877","","","","","","1.048","","","","has coordinates","234764","2020-10-21","18:00:00",""
"4036536","12.0445","0.0017","7.3901","0.001","31.14","0.004","90","","90","","90","","2771.8","0.6","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H13 F -","- C22 H13 F -","- C176 H104 F8 -","8","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.1105","0.0494","","","0.1201","0.1498","","","","","","1.025","","","","has coordinates","234835","2020-10-21","18:00:00",""
"4036584","10.9656","0.0014","17.723","0.003","23.255","0.003","90","","90","","90","","4519.5","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C184 H192 N16 O40 S8 -","8","1","","Sankar, Ulaganathan; Surya Kumar, Ch Venkata; Subramanian, V.; Balasubramanian, K. K.; Mahalakshimi, S.","Stereo-, Regio-, and Chemoselective [3 + 2]-Cycloaddition of (2E,4E)-Ethyl 5-(Phenylsulfonyl)penta-2,4-dienoate with Various Azomethine Ylides, Nitrones, and Nitrile Oxides: Synthesis of Pyrrolidine, Isoxazolidine, and Isoxazoline Derivatives and a Computational Study.","The Journal of organic chemistry","2016","81","6","2340","2354","10.1021/acs.joc.5b02845","","","0.71073","MoKα","","0.0875","0.0445","","","0.1063","0.1301","","","","","","1.002","","","","has coordinates","234908","2020-10-21","18:00:00",""
"4036664","7.497","0.002","9.928","0.003","23.123","0.006","90","","90","","90","","1721","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N O6 P -","- C6 H8 N O6 P -","- C48 H64 N8 O48 P8 -","8","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.0364","0.0286","","","0.079","0.0829","","","","","","1.072","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036673","12.742","0.003","14.71","0.003","29.88","0.006","90","","90","","90","","5601","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H36 B N3 -","- C35 H36 B N3 -","- C280 H288 B8 N24 -","8","1","","Más-Montoya, Miriam; Usea, Laura; Espinosa Ferao, Arturo; Montenegro, María F; Ramírez de Arellano, Carmen; Tárraga, Alberto; Rodríguez-López, José N; Curiel, David","Single Heteroatom Fine-Tuning of the Emissive Properties in Organoboron Complexes with 7-(Azaheteroaryl)indole Systems.","The Journal of organic chemistry","2016","81","8","3296","3302","10.1021/acs.joc.6b00265","","","0.71073","MoKα","","0.2488","0.1087","","","0.2289","0.315","","","","","","0.986","","","","has coordinates","235061","2020-10-21","18:00:00",""
"4036712","14.855","0.008","14.726","0.008","16.022","0.009","90","","90","","90","","3505","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Cl N O -","- C22 H18 Cl N O -","- C176 H144 Cl8 N8 O8 -","8","1","","Liu, Le; Zhang, Tonghuan; Yang, Yun-Fang; Zhang-Negrerie, Daisy; Zhang, Xinhao; Du, Yunfei; Wu, Yun-Dong; Zhao, Kang","Metal-Free Synthesis of 3-Arylquinolin-2-ones from Acrylic Amides via a Highly Regioselective 1,2-Aryl Migration: An Experimental and Computational Study.","The Journal of organic chemistry","2016","81","10","4058","4065","10.1021/acs.joc.6b00345","","","0.71073","MoKα","","0.0565","0.0448","","","0.1058","0.1126","","","","","","1.024","","","","has coordinates","235117","2020-10-21","18:00:00",""
"4036733","11.6051","0.0005","22.0708","0.001","21.4258","0.0012","90","","90","","90","","5487.9","0.5","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N4 -","- C34 H26 N4 -","- C272 H208 N32 -","8","1","","Nebe, Marco M.; Kucukdisli, Murat; Opatz, Till","3,4-Dihydro-2H-pyrrole-2-carbonitriles: Useful Intermediates in the Synthesis of Fused Pyrroles and 2,2'-Bipyrroles.","The Journal of organic chemistry","2016","81","10","4112","4121","10.1021/acs.joc.6b00393","","","0.71073","MoKα","","0.1126","0.0462","","","0.0927","0.1157","","","","","","0.905","","","","has coordinates","235145","2020-10-21","18:00:00",""
"4036763","17.0506","0.0013","22.1823","0.0017","24.7831","0.0019","90","","90","","90","","9373.5","1.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","4CMeCz","","","- C66 H52 N4 -","- C66 H52 N4 -","- C528 H416 N32 -","8","1","","Kuroda, Yasuhiro; Sakamoto, Youichi; Suzuki, Toshiyasu; Kayahara, Eiichi; Yamago, Shigeru","Tetracyclo(2,7-carbazole)s: Diatropicity and Paratropicity of Inner Regions of Nanohoops.","The Journal of organic chemistry","2016","81","8","3356","3363","10.1021/acs.joc.6b00425","","","0.7","synchrotron","","0.1914","0.1646","","","0.4331","0.447","","","","","","3.14","","","","has coordinates","235200","2020-10-21","18:00:00",""
"4036838","16.476","0.003","14.05","0.002","19.613","0.004","90","","90","","90","","4540.2","1.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-6-(diphenyl((trimethylsilyl)oxy)methyl)-1,3,5- trimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C23 H30 N2 O3 Si -","- C23 H30 N2 O3 Si -","- C184 H240 N16 O24 Si8 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1349","0.0592","","","0.0562","0.0641","","","","","","1.007","","","","has coordinates","235314","2020-10-21","18:00:00",""
"4036850","17.993","0.002","8.4777","0.0009","19.7049","0.0018","90","","90","","90","","3005.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5R*,6S*)-5-fluoro-6-((S*)-1-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3- dimethyldihydropyrimidine-2,4(1H,3H)-dione","","- C16 H19 F N2 O3 -","- C16 H19 F N2 O3 -","- C128 H152 F8 N16 O24 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.084","0.045","","","0.073","0.0797","","","","","","0.997","","","","has coordinates","235333","2020-10-21","18:00:00",""
"4036862","17.4991","0.0009","14.1069","0.0006","17.6306","0.0008","90","","90","","90","","4352.3","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C216 H184 N8 O24 -","8","1","","Miao, Maozhong; Luo, Yi; Li, Hongli; Xu, Xin; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Lewis Acid Catalyzed Regiospecific Cross-Dehydrative Coupling Reaction of 2-Furylcarbinols with β-Keto Amides or 4-Hydroxycoumarins: A Route to Furyl Enols.","The Journal of organic chemistry","2016","81","12","5228","5235","10.1021/acs.joc.6b00734","","","0.71073","MoKα","","0.1038","0.0529","","","0.1239","0.1623","","","","","","1.042","","","","has coordinates","235348","2020-10-21","18:00:00",""
"4036988","18.9453","0.0019","6.9618","0.0007","20.894","0.003","90","","90","","90","","2755.8","0.6","293","2","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N3 -","- C18 H11 N3 -","- C144 H88 N24 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Deb, Indubhusan","Ruthenium-Catalyzed Direct and Selective C-H Cyanation of N-(Hetero)aryl-7-azaindoles.","The Journal of organic chemistry","2016","81","15","6525","6534","10.1021/acs.joc.6b01148","","","0.71073","MoKα","","0.1657","0.0547","","","0.1316","0.1993","","","","","","0.92","","","","has coordinates","235522","2020-10-21","18:00:00",""
"4036997","8.7872","0.0005","18.8893","0.0011","26.3974","0.0015","90","","90","","90","","4381.5","0.4","291.98","0.1","291.98","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl2 N Rh -","- C24 H26 Cl2 N Rh -","- C192 H208 Cl16 N8 Rh8 -","8","1","","Huang, Qiufeng; Han, Qingshuai; Fu, Shurong; Yao, Zizhu; Su, Lv; Zhang, Xiaofeng; Lin, Shen; Xiang, Shengchang","Rhodium-Catalyzed NH-Indole-Directed C-H Carbonylation with Carbon Monoxide: Synthesis of 6H-Isoindolo[2,1-a]indol-6-ones.","The Journal of organic chemistry","2016","81","24","12135","12142","10.1021/acs.joc.6b01200","","x-ray","1.54184","CuKα","","0.15","0.061","","","0.0822","0.1098","","","","","","1.016","","","","has coordinates","235537","2020-10-21","18:00:00",""
"4037011","8.309","0.01","9.627","0.011","19.08","0.02","90","","90","","90","","1526","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C5 H8 N6 -","- C5 H8 N6 -","- C40 H64 N48 -","8","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0528","0.0425","","","0.1255","0.1352","","","","","","1.016","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037069","9.4783","0.0009","27.727","0.002","35.544","0.003","90","","90","","90","","9341.1","1.4","113","2","113","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C480 H464 -","8","1","","Kato, Shin-Ichiro; Kuwako, Satoshi; Takahashi, Nobutaka; Kijima, Tomokazu; Nakamura, Yosuke","Benzo- and Naphthopentalenes: Syntheses, Structures, and Properties.","The Journal of organic chemistry","2016","81","17","7700","7710","10.1021/acs.joc.6b01409","","","1.54187","CuKα","","0.0514","0.0443","","","0.1176","0.1222","","","","","","1.028","","","","has coordinates,has disorder","235627","2020-10-21","18:00:00",""
"4037082","12.6015","0.0002","9.4461","0.0002","37.952","0.0009","90","","90","","90","","4517.62","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N6 O4 -","- C22 H30 N6 O4 -","- C176 H240 N48 O32 -","8","1","","Abdelraheem, Eman M. M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Artificial Macrocycles by Ugi Reaction and Passerini Ring Closure.","The Journal of organic chemistry","2016","81","19","8789","8795","10.1021/acs.joc.6b01430","","","1.54184","CuKα","","0.0433","0.036","","","0.0849","0.0907","","","","","","1.054","","","","has coordinates","235645","2020-10-21","18:00:00",""
"4037119","12.5517","0.0003","14.7684","0.0003","18.5336","0.0004","90","","90","","90","","3435.55","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C160 H136 N8 O24 S8 -","8","1","","Szostak, Roman; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Michal","Ground-State Distortion in N-Acyl-tert-butyl-carbamates (Boc) and N-Acyl-tosylamides (Ts): Twisted Amides of Relevance to Amide N-C Cross-Coupling.","The Journal of organic chemistry","2016","81","17","8091","8094","10.1021/acs.joc.6b01560","","","1.54178","CuKα","","0.0311","0.0285","","","0.075","0.0768","","","","","","1.061","","","","has coordinates","235684","2020-10-21","18:00:00",""
"4037169","23.3663","0.0014","15.2047","0.001","34.53","0.003","90","","90","","90","","12267.7","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H25 N O4 S -","- C42 H25 N O4 S -","- C672 H400 N16 O64 S16 -","16","2","","Saravanan, Velu; Mageshwaran, Thiyagarajan; Mohanakrishnan, Arasambattu K.","Synthesis of Cyclo[b]fused Carbazoles via SnCl4-Mediated Domino Reaction of 2-Indolylmethylpivalates with Arenes and Heteroarenes.","The Journal of organic chemistry","2016","81","18","8633","8646","10.1021/acs.joc.6b01646","","","0.71073","MoKα","","0.114","0.0618","","","0.1124","0.1427","","","","","","1.228","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"4037218","11.106","0.0005","10.7491","0.0005","23.3289","0.0011","90","","90","","90","","2785","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C112 H152 N8 O32 -","8","1","","Rit, Raja K.; Ghosh, Koushik; Mandal, Rajib; Sahoo, Akhila K.","Ruthenium-Catalyzed Intramolecular Hydroarylation of Arenes and Mechanistic Study: Synthesis of Dihydrobenzofurans, Indolines, and Chromans.","The Journal of organic chemistry","2016","81","18","8552","8560","10.1021/acs.joc.6b01734","","","0.71073","MoKα","","0.0401","0.0377","","","0.1016","0.1038","","","","","","1.053","","","","has coordinates","235814","2020-10-21","18:00:00",""
"4037235","12.232","0.005","8.022","0.005","35.84","0.005","90","0.005","90","0.005","90","0.005","3517","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O2 S3 -","- C19 H14 O2 S3 -","- C152 H112 O16 S24 -","8","1","","Koley, Suvajit; Chanda, Tanmoy; Samai, Subhasis; Singh, Maya Shankar","Switching Selectivity of α-Enolic Dithioesters: One Pot Access to Functionalized 1,2- and 1,3-Dithioles.","The Journal of organic chemistry","2016","81","23","11594","11602","10.1021/acs.joc.6b01802","","","0.71073","MoKα","","0.2886","0.084","","","0.1516","0.2472","","","","","","0.904","","","","has coordinates","235844","2020-10-21","18:00:00",""
"4037266","14.167","0.0009","14.7098","0.0009","19.8422","0.0012","90","","90","","90","","4135","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BillRuComp (DCM/ether)","","","- C23 H21 F6 P Ru -","- C23 H21 F6 P Ru -","- C184 H168 F48 P8 Ru8 -","8","1","","Miles, William H.; Robinson, Michael J.; Lessard, Samantha G.; Thamattoor, Dasan M.","Through-Space Shielding Effects of Metal-Complexed Phenyl Rings.","The Journal of organic chemistry","2016","81","22","10791","10801","10.1021/acs.joc.6b01858","","","0.71073","MoKα","","0.0682","0.0551","","","0.1559","0.1685","","","","","","1.057","","","","has coordinates","235877","2020-10-21","18:00:00",""
"4037292","11.93","0.0005","9.6569","0.0005","22.248","0.0011","90","","90","","90","","2563.1","0.2","0","2","0","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F3 N2 O4 -","- C12 H11 F3 N2 O4 -","- C96 H88 F24 N16 O32 -","8","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0533","0.0389","","","0.1221","0.1325","","","","","","1.044","","","","has coordinates","235900","2020-10-21","18:00:00",""
"4037294","19.289","0.004","11.081","0.002","23.943","0.005","90","","90","","90","","5117.6","1.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C232 H200 Br8 O24 Si8 -","8","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0749","0.0403","","","0.1003","0.135","","","","","","1.085","","","","has coordinates","235904","2020-10-21","18:00:00",""
"4037314","8.6368","0.0002","12.3637","0.0003","27.5206","0.0007","90","","90","","90","","2938.73","0.12","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N O -","- C19 H17 N O -","- C152 H136 N8 O8 -","8","1","","Liu, Jing; Wei, Wei; Zhao, Ting; Liu, Xuanyu; Wu, Jie; Yu, Wenquan; Chang, Junbiao","Iodine/Copper Iodide-Mediated C-H Functionalization: Synthesis of Imidazo[1,2-a]pyridines and Indoles from N-Aryl Enamines.","The Journal of organic chemistry","2016","81","19","9326","9336","10.1021/acs.joc.6b01960","","","0.71073","MoKα","","0.0523","0.0446","","","0.1187","0.1237","","","","","","1.06","","","","has coordinates","235936","2020-10-21","18:00:00",""
"4037367","14.9752","0.0018","15.4208","0.0017","17.234","0.002","90","","90","","90","","3979.8","0.8","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(3R*,4S*)-5,5-bis(4-fluorophenyl)-4-(2-hydroxyphenyl)-3-methyldihydrofuran-2(3H)-one","","- C23 H18 F2 O3 -","- C23 H18 F2 O4 -","- C184 H144 F16 O32 -","8","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.1699","0.0454","","","0.0556","0.063","","","","","","1.033","","","","has coordinates","236022","2020-10-21","18:00:00",""
"4037409","17.0118","0.0018","10.9267","0.0011","20.145","0.003","90","","90","","90","","3744.6","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","1","","Hao, Wen-Juan; Gao, Qian; Jiang, Bo; Liu, Feng; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen","Base-Promoted [4 + 1]/[3 + 1 + 1] Bicyclization for Accessing Functionalized Indeno[1,2-c]furans.","The Journal of organic chemistry","2016","81","22","11276","11281","10.1021/acs.joc.6b02249","","","0.71073","MoKα","","0.1398","0.0641","","","0.123","0.1463","","","","","","1.026","","","","has coordinates,has disorder","236100","2020-10-21","18:00:00",""
"4037443","19.8948","0.0009","9.9946","0.0005","23.9226","0.0011","90","","90","","90","","4756.8","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 F3 N O6 -","- C24 H30 F3 N O6 -","- C192 H240 F24 N8 O48 -","8","1","","Baumann, Marcus; Baxendale, Ian R.","Diastereoselective Trifluoroacetylation of Highly Substituted Pyrrolidines by a Dakin-West Process.","The Journal of organic chemistry","2016","81","23","11898","11908","10.1021/acs.joc.6b02346","","x-ray","0.71073","MoKα","","0.0645","0.0449","","","0.0998","0.1094","","","","","","1.033","","","","has coordinates,has disorder","236154","2020-10-21","18:00:00",""
"4037456","12.3982","0.0002","12.8328","0.0002","20.8001","0.0004","90","","90","","90","","3309.37","0.1","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","0.5","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0825","0.047","","","0.107","0.1202","","","","","","1.036","","","","has coordinates","236175","2020-10-21","18:00:00",""
"4037488","9.8868","0.0011","15.861","0.002","18.957","0.0019","90","","90","","90","","2972.7","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed, Picolinamide-Assisted, Z-Selective γ-Arylation of Allylamines To Construct Z-Cinnamylamines.","The Journal of organic chemistry","2017","82","13","6550","6567","10.1021/acs.joc.7b00535","","","0.71075","MoKα","","0.1122","0.0786","","","0.1664","0.1878","","","","","","1.174","","","","has coordinates,has disorder","236237","2020-10-21","18:00:00",""
"4037499","11.031","0.002","7.7855","0.0015","29.329","0.006","90","","90","","90","","2518.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Zhang, Ning; Lu, Xiao-Bing","1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3H)-ones.","The Journal of organic chemistry","2017","82","14","7637","7642","10.1021/acs.joc.7b00963","","","0.71073","MoKα","","0.0576","0.0428","","","0.0992","0.108","","","","","","1.047","","","","has coordinates","236254","2020-10-21","18:00:00",""
"4037514","17.6246","0.0004","7.4786","0.0002","38.5418","0.0008","90","","90","","90","","5080.1","0.2","100","0.1","100","0.1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H22 -","- C44 H22 -","- C352 H176 -","8","1","","Tao, Yu-Tai; Pola, Someshwar; Kumar, Sushil; Islam, M. Minarul","Synthesis and Characterization of Contorted Pentabenzo-Fused Coronenes as Semiconducting Materials.","The Journal of organic chemistry","2017","82","15","8067","8071","10.1021/acs.joc.7b01328","","","0.71073","MoKα","","0.0489","0.0377","","","0.0963","0.1042","","","","","","1.034","","","","has coordinates","236271","2020-10-21","18:00:00",""
"4037516","14.6934","0.0009","12.412","0.0009","35.719","0.003","90","","90","","90","","6514.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 O2.5 -","- C19 H16 N3 O2.5 -","- C304 H256 N48 O40 -","16","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0708","0.0411","","","0.084","0.0975","","","","","","1.01","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037518","9.5731","0.0005","14.4963","0.0009","18.9287","0.0011","90","","90","","90","","2626.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0681","0.0467","","","0.1197","0.133","","","","","","1.05","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037549","11.923","0.002","18.737","0.004","19.416","0.004","90","","90","","90","","4337.6","1.5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C192 H248 N8 O32 -","8","1","","Li, Xinhong; Wang, Songmeng; Li, Shengli; Li, Kangming; Mo, Xin; Liu, Lingyan; Chang, Weixing; Li, Jing","Temperature-Controlled Divergent Hydroamination Cyclization [2+2]-Cycloaddition Cascade Reactions of Homopropargylic Amines with 2-Butynedioates: Direct Access To Pyrrolo- b-cyclobutene and Dihydro-1 H-azepines.","The Journal of organic chemistry","2019","84","3","1288","1298","10.1021/acs.joc.8b02730","","","0.71073","MoKα","","0.074","0.0621","","","0.1764","0.1876","","","","","","1.046","","","","has coordinates","236319","2020-10-21","18:00:00",""
"4037568","7.3816","0.0002","18.2822","0.0005","25.5946","0.0008","90","","90","","90","","3454.04","0.17","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Shugrue, Christopher R.; Sculimbrene, Bianca R.; Jarvo, Elizabeth R.; Mercado, Brandon Q.; Miller, Scott J.","Outer-Sphere Control for Divergent Multicatalysis with Common Catalytic Moieties.","The Journal of organic chemistry","2019","84","3","1664","1672","10.1021/acs.joc.8b03068","","","1.54184","CuKα","","0.0672","0.0547","","","0.1246","0.1334","","","","","","1.091","","","","has coordinates,has disorder","236356","2020-10-21","18:00:00",""
"4037599","16.6113","0.0001","12.4437","0.0001","17.761","0.0002","90","","90","","90","","3671.31","0.06","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'3',5'-Dibromo-3,5-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C176 H112 Br16 N16 -","8","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","1.5418","CuKα","","0.0255","0.025","","","0.0673","0.0676","","","","","","1.101","","","","has coordinates","243437","2020-10-21","18:00:00",""
"4037644","10.8374","0.0009","15.4836","0.0013","18.6142","0.0015","90","","90","","90","","3123.5","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","Shi, Hao-Nan; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched 1-Indanones via Double-Base Cooperatively Promoted 1,4-<i>Oxo</i>-Migration/Cyclization of β-Alkynyl Ketones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02525","","","0.71073","MoKα","","0.1343","0.0553","","","0.1519","0.1961","","","","","","1.032","","","","has coordinates,has disorder","245154","2020-10-21","18:00:00",""
"4037648","10.3226","0.0001","10.16952","0.0001","24.1342","0.0004","90","","90","","90","","2533.51","0.05","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Tabata, Hidetsugu; Funaki, Kaoru; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Elucidation of the Active Conformation of Antiproliferative Sulfonamides, 5<i>N</i>-Arylsulfonyl-1,5-benzodiazepin-2-ones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02833","","","1.54187","CuKα","","","0.0363","","","","0.1096","","","","","","1.249","","","","has coordinates","245158","2020-10-21","18:00:00",""
"4037651","8.9003","0.0003","12.0894","0.0005","45.652","0.0018","90","","90","","90","","4912.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","jslmc1059","","","- C28 H28 Br2 O4 -","- C28 H28 Br2 O4 -","- C224 H224 Br16 O32 -","8","1","","Castroagudín, Mariña; Lobato, Rubén; Martínez-García, Lucas; Sardina, F. Javier; Paleo, M. Rita","<i>Bis</i>-enolates with Extended π-Conjugation Are Powerful Nucleophiles: A Study of Their Alkylation Reactions with Very Hindered C-Electrophiles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01961","","","1.54178","CuKα","","0.1383","0.0874","","","0.2157","0.2469","","","","","","1.079","","","","has coordinates","245161","2020-10-21","18:00:00",""
"4037681","6.4446","0.0001","14.5466","0.0002","37.4103","0.0004","90","","90","","90","","3507.1","0.08","150","","150","","","","","","","","local","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C152 H128 N16 O40 S8 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","1.54184","CuKα","","0.0481","0.0453","","0.1043","0.1029","0.1043","","","","","","1.0424","","","","has coordinates","245337","2020-10-21","18:00:00",""
"4037690","16.1616","0.0006","9.5535","0.0003","18.608","0.0006","90","","90","","90","","2873.07","0.17","200","","200","","","","","","","","local","3","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 -","- C19 H13 N3 -","- C152 H104 N24 -","8","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.0745","0.0457","","0.1187","0.1017","0.1187","","","","","","0.9902","","","","has coordinates","245346","2020-10-21","18:00:00",""
"4037702","13.1789","0.0004","13.9012","0.0005","16.9206","0.0006","90","","90","","90","","3099.9","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3 in manuscript","","","- C16 H18 B Br O2 -","- C16 H18 B Br O2 -","- C128 H144 B8 Br8 O16 -","8","1","","Regulska, Elzbieta; Ruppert, Heiko; Rominger, Frank; Romero-Nieto, Carlos","Synthesis of Blue-Luminescent Seven-Membered Phosphorus Heterocycles","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02723","","","0.71073","MoKα","","0.0832","0.0555","","","0.132","0.1491","","","","","","1.027","","","","has coordinates","245355","2020-10-21","18:00:00",""
"4037729","14.299","0.0019","10.1735","0.0013","22.696","0.003","90","","90","","90","","3301.6","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C160 H168 N8 O16 -","8","1","","Li, Hui; Cui, Chun-Xiao; Zhang, Guang-Hua; Li, Xiao-Qiang; Yang, Jun","Regioselective Synthesis of Functionalized Dihydropyrones via Petasis Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02651","","","0.71073","MoKα","","0.0681","0.046","","","0.113","0.1241","","","","","","1.018","","","","has coordinates","246204","2020-10-21","18:00:00",""
"4037787","12.383","0.002","12.964","0.003","56.938","0.011","90","","90","","90","","9140","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O3 S -","- C28 H24 F3 N O3 S -","- C448 H384 F48 N16 O48 S16 -","16","2","","Das, Eshani; Basak, Amit","Regioselective Synthesis of Benzo-fused Tetrahydroisoquinoline-based Biaryls through a Tandem One-pot Halogenation of p-Benzynes from Enediynes and Suzuki-Miyaura Coupling.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02874","","","0.71073","MoKα","","0.2018","0.1029","","","0.2018","0.2505","","","","","","1.056","","","","has coordinates","246709","2020-10-21","18:00:00",""
"4037798","10.7991","0.0005","11.9747","0.0005","19.5546","0.001","90","","90","","90","","2528.7","0.2","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0519","0.0468","","","0.1398","0.1485","","","","","","1.069","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037799","13.0647","0.0013","9.431","0.0012","24.873","0.003","90","","90","","90","","3064.7","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C144 H136 Cl8 N16 O16 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.152","0.1073","","","0.2708","0.3532","","","","","","1.137","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037925","9.652","0.0004","9.3307","0.0005","13.2182","0.0006","90","","90","","90","","1190.43","0.1","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C48 H56 N8 O16 -","8","1","","Nikahd, Maryam; Mikusek, Jiri; Yu, Li-Juan; Coote, Michelle L.; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.","Exploiting Chitin as a Source of Biologically Fixed Nitrogen: Formation and Full Characterization of Small-Molecule Hetero- and Carbocyclic Pyrolysis Products.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03438","","x-ray","1.54184","CuKα","","0.0504","0.0464","","","0.1286","0.133","","","","","","1.082","","","","has coordinates","248140","2020-10-21","18:00:00",""
"4037929","17.669","0.002","10.1689","0.0013","18.228","0.002","90","","90","","90","","3275.1","0.7","297.15","","297.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,1,3-triphenylprop-2-en-1-imine","","- C21 H17 N -","- C21 H17 N -","- C168 H136 N8 -","8","1","","Schmidt, Elena Yu; Bidusenko, Ivan A.; Protsuk, Nadezhda I.; Demyanov, Yan; Ushakov, Igor A.; Vashchenko, Alexander Valentine; Trofimov, Boris A.","Transition Metal-Free Superbase-Catalyzed C-H Vinylation of Aldimines with Acetylenes to 1-Azadienes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03192","","x-ray","0.71073","MoKα","","0.1288","0.0602","","","0.1205","0.1433","","","","","","1.102","","","","has coordinates","248182","2020-10-21","18:00:00",""
"4037942","10.066","0.0007","13.5727","0.0011","25.2821","0.0017","90","","90","","90","","3454.1","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C168 H144 N32 -","8","1","","Sar, Saibal; Tripathi, Ankita; Dubey, Kshatresh Dutta; Sen, Subhabrata","Iodine-Catalyzed Aerobic Diazenylation-Amination of Indole Derivatives.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03392","","","0.71073","MoKα","","0.115","0.0542","","","0.1156","0.1459","","","","","","1.013","","","","has coordinates","248263","2020-10-21","18:00:00",""
"4037949","10.7452","0.0001","8.6766","0.0001","34.0401","0.0003","90","","90","","90","","3173.62","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","1","","Kramer, Philipp; Ha Aczkiewicz, Miro; Sun, Yu; Kelm, Harald; Manolikakes, Georg","Iron(III)-Mediated Oxy-Sulfonylation of Enamides with Sodium and Lithium Sulfinates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03299","","","1.54184","CuKα","","0.0321","0.0314","","","0.0769","0.0775","","","","","","1.07","","","","has coordinates","248383","2020-10-21","18:00:00",""
"4037954","12.45","0.0013","17.1118","0.0019","20.259","0.002","90","","90","","90","","4316","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C216 H176 N16 O32 S8 -","8","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","0.71073","MoKα","","0.0596","0.049","","","0.1171","0.1239","","","","","","1.095","","","","has coordinates","248388","2020-10-21","18:00:00",""
"4037981","12.209","0.0017","6.6997","0.001","29.003","0.004","90","","90","","90","","2372.3","0.6","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","1","","Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping","One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03307","","","0.71073","MoKα","","0.0812","0.0767","","","0.2476","0.2514","","","","","","1.093","","","","has coordinates","248503","2020-10-21","18:00:00",""
"4037984","9.2","","17.273","","23.09","","90","","90","","90","","3669.27","","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C184 H184 N8 O24 -","8","1","","Zheng, Guangfan; Duan, Xujing; Chen, Lu; Sun, Jiaqiong; Zhai, Shuailei; Li, Xiaojiao; Jing, Jierui; Li, Xingwei","Access to [4,3,1]-Bridged Carbocycles via Rhodium(III)-Catalyzed C-H Activation of 2-Arylindols and Annulation with Quinone Monoacetals.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00018","","","0.71073","MoKα","","0.0517","0.0512","","","0.1594","0.1601","","","","","","0.656","","","","has coordinates","248506","2020-10-21","18:00:00",""
"4037995","15.3107","0.0007","7.6551","0.0003","33.1427","0.0013","90","","90","","90","","3884.5","0.3","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C168 H152 N8 O32 S8 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0499","0.0441","","","0.1133","0.1167","","","","","","1.098","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4038002","7.1359","0.0011","29.591","0.005","31.636","0.005","90","","90","","90","","6680.2","1.9","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H33 N -","- C47 H33 N -","- C376 H264 N8 -","8","1","","Duong, Adam; Levesque, Alexandre; Homand, Clara; Maris, Thierry; Wuest, James D.","Controlling Molecular Organization by Using Phenyl Embraces of Multiple Trityl Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02974","","","1.54178","CuKα","","0.0719","0.0657","","","0.155","0.1559","","","","","","1.011","","","","has coordinates","248676","2020-10-21","18:00:00",""
"4038069","13.2254","0.0003","7.5242","0.0002","30.3701","0.0008","90","","90","","90","","3022.15","0.13","190","2","190","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C144 H136 N24 O16 -","8","1","","Bhujanga Rao, Chitturi; Zhang, Ning; Hu, Jiana; Wang, Yu; Liang, Yongjiu; Zhang, Rui; Yuan, Jingwen; Dong, Dewen","Tf<sub>2</sub>O-Mediated Cyclization of α-Acyl-β-(2-aminopyridinyl)acrylamides: Access to N-Substituted 4<i>H</i>-Pyrido[1,2-<i>a</i>]pyrimidin-4-imines.","The Journal of organic chemistry","2020","85","7","4695","4705","10.1021/acs.joc.9b03495","","","1.54178","CuKα","","0.0403","0.0372","","","0.0965","0.0998","","","","","","1.089","","","","has coordinates","250099","2020-10-21","18:00:00",""
"4038080","15.7533","0.0006","20.3581","0.0009","28.1812","0.0012","90","","90","","90","","9037.9","0.7","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H55 Al N5 -","- C42 H55 Al N5 -","- C336 H440 Al8 N40 -","8","1","","Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa","Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.","The Journal of organic chemistry","2020","85","7","4999","5009","10.1021/acs.joc.0c00234","","x-ray","0.71073","MoKα","","0.1481","0.0917","","","0.2864","0.345","","","","","","1.055","","","","has coordinates","250106","2020-10-21","18:00:00",""
"4038089","11.6702","0.0002","18.6897","0.0003","21.5803","0.0004","90","","90","","90","","4706.93","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 -","- C25 H40 O5 -","- C200 H320 O40 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","1.54178","CuKα","","0.0421","0.0391","","","0.1089","0.1113","","","","","","1.021","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4038092","8.5906","0.001","7.0884","0.0008","20.553","0.002","90","","90","","90","","1251.5","0.2","100","2","100.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C56 H64 O24 -","8","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0546","0.0425","","","0.0991","0.1043","","","","","","1.075","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4038183","18.4511","0.0007","7.9564","0.0004","21.9786","0.0014","90","","90","","90","","3226.6","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Cl N O2 -","- C22 H12 Cl N O2 -","- C176 H96 Cl8 N8 O16 -","8","1","","Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho","Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00346","","","0.71073","MoKα","","0.0375","0.0311","","","0.0766","0.0829","","","","","","1.043","","","","has coordinates","250023","2020-10-21","18:00:00",""
"4038187","11.6638","0.0003","7.5007","0.0002","27.8059","0.0008","90","","90","","90","","2432.65","0.11","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N3 O S -","- C14 H9 N3 O S -","- C112 H72 N24 O8 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.0521","0.0391","","","0.0845","0.0914","","","","","","1.059","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038188","13.0311","0.0013","10.4176","0.001","30.827","0.003","90","","90","","90","","4184.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N4 O3 S -","- C24 H20 N4 O3 S -","- C192 H160 N32 O24 S8 -","8","1","","Chen, Jin-Yu; Selvaraju, Manikandan; Lin, Yen-Tzu; Dhole, Sandip; Lin, Chih-Yu; Sun, Chung-Ming","Molecular Iodine-Promoted [3 + 2] Oxidative Cyclization for the Synthesis of Heteroarene-Fused [1,2,4] Thiadiazoles/Selenadiazoles.","The Journal of organic chemistry","2020","85","8","5570","5579","10.1021/acs.joc.0c00421","","","0.71073","MoKα","","0.1051","0.0521","","","0.09","0.1022","","","","","","0.964","","","","has coordinates","251473","2020-10-21","18:00:00",""
"4038235","22.7162","0.0006","14.2568","0.0004","30.6478","0.0009","90","","90","","90","","9925.6","0.5","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","- C400 H384 N32 O64 S64 -","1","0.125","","Mao, Jialin; Hai, Yu; Ye, Hebo; You, Lei","Adaptive Covalent Networks Enabled by Dual Reactivity: The Evolution of Reversible Covalent Bonds, Their Molecular Assemblies, and Guest Recognition.","The Journal of organic chemistry","2020","85","8","5351","5361","10.1021/acs.joc.0c00051","","","1.34139","GaKα","","0.0685","0.0519","","","0.1309","0.1402","","","","","","1.032","","","","has coordinates","251472","2020-10-21","18:00:00",""
"4038247","12.5251","0.0019","7.7888","0.0012","16.98","0.003","90","","90","","90","","1656.5","0.5","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","- C64 H40 Cl8 N16 O16 -","1","0.125","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0365","","","","0.0908","","","","","","1.012","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038257","17.382","0.004","7.2895","0.0015","28.978","0.006","90","","90","","90","","3671.7","1.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O2 -","- C30 H18 O2 -","- C240 H144 O16 -","8","1","","Yakiyama, Yumi; Hishikawa, Shota; Sakurai, Hidehiro","Synthesis of C<sub>70</sub>-fragment buckybowls bearing alkoxy substituents.","Beilstein journal of organic chemistry","2020","16","","681","690","10.3762/bjoc.16.66","","","0.71073","MoKα","","0.424","0.1319","","","0.2925","0.4008","","","","","","0.903","","","","has coordinates","251802","2020-10-21","18:00:00",""
"4038378","8.79642","0.0001","19.3254","0.0002","42.267","0.0006","90","","90","","90","","7185.15","0.15","99.99","0.18","99.99","0.18","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 F3 N6 O3 P S -","- C41 H30 F3 N6 O3 P S -","- C328 H240 F24 N48 O24 P8 S8 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.0485","0.0451","","","0.1107","0.1131","","","","","","1.11","","","","has coordinates","252122","2020-10-21","18:00:00",""
"4038394","4.9482","0.0006","26.28","0.003","32.363","0.003","90","","90","","90","","4208.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H23 N O -","- C28 H23 N O -","- C224 H184 N8 O8 -","8","1","","Zhang, Jie; Wang, Jia-Yin; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo","Ligand-Free Pd-Catalyzed Synthesis of 3-Allylbenzofurans by Merging Decarboxylative Allylation and Nucleophilic Cyclization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00375","","","1.54178","CuKα","","0.1883","0.1172","","","0.3104","0.3626","","","","","","1.056","","","","has coordinates","252183","2020-10-21","18:00:00",""
"4038407","8.2239","0.001","11.2158","0.0011","25.146","0.003","90","","90","","90","","2319.4","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 F3 N O S -","- C12 H8 F3 N O S -","- C96 H64 F24 N8 O8 S8 -","8","1","","Yoo, Jeyeon; Ha, Heun-Jong; Kim, Bora; Cho, Chang-Woo","Synthesis of α-Trifluoromethylthio-α,β-unsaturated Carbonyl Compounds by DABCO-Mediated Electrophilic Trifluoromethylthiolation with <i>N</i>-SCF<sub>3</sub>-dibenzenesulfonimide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00448","","","0.71073","MoKα","","0.0823","0.0588","","","0.1393","0.1554","","","","","","1.042","","","","has coordinates","252289","2020-10-21","18:00:00",""
"4038409","14.3278","0.0008","16.401","0.0009","28.7615","0.0016","90","","90","","90","","6758.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H54 B F4 N4 P -","- C31 H54 B F4 N4 P -","- C248 H432 B8 F32 N32 P8 -","8","1","","Mboyi, Clève Dionel; Poater, Albert; Poater, Jordi; Duhayon, Carine; Chauvin, Remi","Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00847","","","0.71073","MoKα","","0.0828","0.0575","","0.0627","0.0477","0.0437","","","","","","1.102","","","","has coordinates","252362","2020-10-21","18:00:00",""
"4038432","19.1861","0.001","8.0835","0.0004","21.0439","0.0011","90","","90","","90","","3263.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H20 O -","- C23 H20 O -","- C184 H160 O8 -","8","1","","Bartolo, Nicole D.; Woerpel, K. A.","Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00481","","","0.71073","MoKα","","0.055","0.0472","","","0.1191","0.1244","","","","","","1.063","","","","has coordinates","252460","2020-10-21","18:00:00",""
"4038456","18.6397","0.0007","11.6276","0.0006","20.5913","0.0009","90","","90","","90","","4462.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H14 F6 N2 O3 -","- C24 H14 F6 N2 O3 -","- C192 H112 F48 N16 O24 -","8","1","","Ge, Junying; Ding, Qiuping; Wang, Xinhua; Peng, Yiyuan","Three-Component Cascade Synthesis of Fully-substituted Trifluoromethyl Pyrroles via a Cu(II)/Rh(Ⅲ)-promoted aza-Michael Addition/Trifluoromethylation Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03470","","x-ray","0.71073","MoKα","","0.1469","0.1083","","","0.3634","0.3985","","","","","","1.466","","","","has coordinates","252555","2020-10-21","18:00:00",""
"4038567","21.5878","0.0004","11.8658","0.0002","23.2836","0.0003","90","","90","","90","","5964.25","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H33 N3 O6 S -","- C34 H33 N3 O6 S -","- C272 H264 N24 O48 S8 -","8","1","","Hou, Ke-Qiang; Zhou, Feng; Chen, Xue-Ping; Ge, Yang; Chan, Albert Sun Chi; Xiong, Xiao-Feng","Asymmetric Synthesis of Oxindole-Derived Vicinal Tetrasubstituted Acyclic Amino Acid Derivatives by Mannich-Type Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00981","","x-ray","1.54184","CuKα","","0.0702","0.0581","","","0.1548","0.1651","","","","","","1.083","","","","has coordinates","254193","2020-10-21","18:00:00",""
"4038597","18.8334","0.0003","17.4964","0.0003","19.2021","0.0003","90","","90","","90","","6327.41","0.18","302","2","302.61","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H43 N3 O8 -","- C30 H43 N3 O8 -","- C240 H344 N24 O64 -","8","1","","Zhang, Mengsi; Li, Baojun; Chen, Huimin; Lu, Haotian; Ma, Hailong; Cheng, Xiaoyu; Wang, Wenbo; Wang, Yue; Ding, Yun; Hu, Aiguo","Triggering the Antitumor Activity of Acyclic Enediyne through Maleimide Assisted Rearrangement and Cycloaromatization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01124","","","1.34139","GaKα","","0.0559","0.0443","","","0.1143","0.1231","","","","","","1.042","","","","has coordinates","254484","2020-10-21","18:00:00",""
"4038616","12.4873","0.0018","14.046","0.002","29.563","0.004","90","","90","","90","","5185.3","1.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C208 H328 N8 O40 Si8 -","8","1","","Suzuki, Takahiro; Koyama, Takeshi; Nakanishi, Kenta; Kobayashi, Susumu; Tanino, Keiji","Formal Total Synthesis of Atropurpuran.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01462","","","0.71075","MoKα","","","0.0665","","","","0.18","","","","","","1.085","","","","has coordinates","254607","2020-10-21","18:00:00",""
"4038624","7.3169","0.0001","21.1822","0.0002","21.2038","0.0002","90","","90","","90","","3286.34","0.06","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C23 H22 -","- C23 H22 -","- C184 H176 -","8","1","","Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T.","Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01014","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0925","0.0942","","","","","","1.025","","","","has coordinates","254659","2020-10-21","18:00:00",""
"4038638","10.1603","0.0006","14.3842","0.0007","29.7704","0.0018","90","","90","","90","","4350.9","0.4","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 O4 -","- C30 H18 O4 -","- C240 H144 O32 -","8","1","","Hosseini, Seyyedamirhossein; Thapa, Bishnu; Medeiros, Maria Jose; Pasciak, Erick M.; Pence, Michael A.; Twum, Eric B.; Karty, Jonathan A.; Gao, Xinfeng; Mubarak, Mohammad S.; Raghavachari, Krishnan; Peters, Dennis G.","Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01220","","","0.71073","MoKα","","0.0759","0.0436","","0.1038","0.0895","0.1036","","","","","","0.9672","","","","has coordinates","254744","2020-10-21","18:00:00",""
"4038667","23.94","0.03","10.015","0.003","26.173","0.015","90","","90","","90","","6275","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H37 N5 O3 -","- C36 H37 N5 O3 -","- C288 H296 N40 O24 -","8","1","","Srinivasulu, Vunnam; Schilf, Paul; Ibrahim, Saleh; Shehadi, Ihsan A.; Malik, Omar G.; Sieburth, Scott; Khanfar, Monther A.; Hamad, Mohamad; Abu-Yousef, Imad A.; Majdalawieh, Amin F.; Al-Tel, Taleb H.","Divergent Strategy for Diastereocontrolled Synthesis of Small- and Medium-Ring Architectures","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01244","","x-ray","0.71073","MoKα","","0.4631","0.0983","","","0.1124","0.2015","","","","","","0.9","","","","has coordinates","255219","2020-10-21","18:00:00",""
"4038709","20.84906","0.00018","14.0884","0.00011","38.1251","0.0003","90","","90","","90","","11198.5","0.16","160","0.1","160","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C61 H84 O10 -","- C61 H84 O10 -","- C488 H672 O80 -","8","1","","Du, Ke; Demay-Drouhard, Paul; Samanta, Kushal; Li, Shunshun; Thikekar, Tushar Ulhas; Wang, Haiying; Guo, Minjie; van Lagen, Barend; Zuilhof, Han; Sue, Andrew C.-H.","Stereochemical Inversion of Rim-Differentiated Pillar[5]arene Molecular Swings","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01464","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1084","0.1165","","","","","","1.052","","","","has coordinates","255560","2020-10-21","18:00:00",""
"4038751","8.6036","0.0013","11.7912","0.0019","21.27","0.003","90","","90","","90","","2157.8","0.6","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","1","","Chernykh, Anton V.; Olifir, Oleksandr S.; Kuchkovska, Yuliya O.; Volochnyuk, Dmitriy M.; Yarmolchuk, Vladimir S.; Grygorenko, Oleksandr O.","Fluoroalkyl-Substituted Cyclopropane Derivatives: Synthesis and Physicochemical Properties.","The Journal of organic chemistry","2020","85","19","12692","12702","10.1021/acs.joc.0c01848","","","0.71073","MoKα","","0.1215","0.0633","","","0.1364","0.164","","","","","","1.01","","","","has coordinates","257127","2020-10-21","18:00:00",""
"4038767","13.8795","0.0016","11.3828","0.0013","23.518","0.003","90","","90","","90","","3715.6","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","O-4-Chloro-2-((3-chlorophenyl)carbamoyl)phenyl N,N-diethylcarbamate","","- C18 H18 Cl2 N2 O3 -","- C18 H18 Cl2 N2 O3 -","- C144 H144 Cl16 N16 O24 -","8","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0627","0.0416","","","0.1067","0.1207","","","","","","1.022","","","","has coordinates,has disorder","257128","2020-10-21","18:00:00",""
"4038787","11.62377","0.00013","11.62379","0.00012","19.3359","0.0002","90","","90","","90","","2612.52","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(1H-indol-2-yl)-2-phenylethan-1-amine","","- C16 H16 N2 -","- C16 H16 N2 -","- C128 H128 N16 -","8","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Aksenov, Alexander V.; Griaznov, Georgii D.; Rubin, Michael","Synthesis of 2-(1<i>H</i>-Indol-2-yl)acetamides via Brønsted Acid-Assisted Cyclization Cascade.","The Journal of organic chemistry","2020","85","19","12128","12146","10.1021/acs.joc.0c01344","","x-ray","1.54184","CuKα","","0.0466","0.043","","","0.1306","0.1349","","","","","","1.046","","","","has coordinates,has disorder","257147","2020-10-21","18:00:00",""
"4038790","13.6","0.0004","7.1637","0.0002","29.5605","0.001","90","","90","","90","","2879.97","0.15","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H15 O4 P -","- C16 H15 O4 P -","- C128 H120 O32 P8 -","8","1","","Shu, Zhihao; Zhou, Jianhui; Li, Junyou; Cheng, Yilang; Liu, Hong; Wang, Dechuan; Zhou, Yu","Rh(III)-Catalyzed Dual C-H Functionalization/Cyclization Cascade by a Removable Directing Group: A Method for Synthesis of Polycyclic Fused Pyrano[<i>de</i>]Isochromenes.","The Journal of organic chemistry","2020","85","19","12097","12107","10.1021/acs.joc.0c01228","","","0.71073","MoKα","","0.0606","0.0396","","","0.0876","0.0997","","","","","","1.061","","","","has coordinates","257132","2020-10-21","18:00:00",""
"4038836","18.889","0.004","11.865","0.002","19.04","0.005","90","","90","","90","","4267.2","1.6","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O P -","- C26 H24 N O P -","- C208 H192 N8 O8 P8 -","8","1","","Lim, Taehyun; Kim, Byeong Moon","Synthesis of α-aminophosphonates via phosphonylation of an aryne-imine adduct.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01410","","","0.71073","MoKα","","0.1547","0.0703","","","0.1833","0.2366","","","","","","1.031","","","","has coordinates","256685","2020-10-21","18:00:00",""
"4038986","12.2697","0.0001","12.9259","0.0002","19.0862","0.0002","90","","90","","90","","3027.01","0.06","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Te2I10](PyH)2","'bis(pyridonium) bis(m-2 iodo octaiodo di-telurium)'","","- C10 H12 I10 N2 Te2 -","- C10 H12 I10 N2 Te2 -","- C40 H48 I40 N8 Te8 -","4","0.5","","Faoro, Eliandro; de Oliveira, Gelson Manzoni; Lang, Ernesto Schulz; Pereira, Cesar Bicca","Synthesis and structural features of new aryltellurenyl iodides","Journal of Organometallic Chemistry","2010","695","10-11","1480","1486","10.1016/j.jorganchem.2010.03.004","","","0.71073","MoKα","","0.0291","0.0208","","","0.0371","0.0395","","","","","","1.024","","","","has coordinates","272288","2022-01-27","10:32:31",""
"4038999","12.8587","0.0003","8.9635","0.0002","30.2132","0.0007","90","","90","","90","","3482.34","0.14","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0456","0.0376","","","0.0974","0.1038","","","","","","1.033","","","","has coordinates,has Fobs","276091","2022-06-18","15:03:22",""
"4039000","12.955","0.0012","9.0569","0.0009","30.47","0.003","90","","90","","90","","3575.1","0.6","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H12 O4 -","- C25 H12 O4 -","- C200 H96 O32 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0478","0.0419","","","0.106","0.112","","","","","","1.038","","","","has coordinates,has Fobs","276094","2022-06-18","15:03:36",""
"4039009","9.9404","0.0003","12.579","0.0004","15.1193","0.0004","90","","90","","90","","1890.52","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","0.5","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.54178","CuKα","","0.0379","0.0376","","","0.0996","0.0999","","","","","","1.043","","","","has coordinates,has Fobs","276103","2022-06-18","15:05:19",""
"4060018","8.6521","0.0008","17.2931","0.0015","23.187","0.002","90","","90","","90","","3469.3","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O5 P2 W -","- C14 H15 N O5 P2 W -","- C112 H120 N8 O40 P16 W8 -","8","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0756","0.0453","","","0.0898","0.0984","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:27:56",""
"4060025","15.8359","0.0019","18.0027","0.0018","20.0598","0.0017","90","","90","","90","","5718.8","1","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 Co F8 N3 -","- C24 H17 Br2 Cl2 Co F8 N3 -","- C192 H136 Br16 Cl16 Co8 F64 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1051","0.0522","","","0.1007","0.114","","","","","","0.962","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060029","15.962","0.003","17.976","0.003","20.154","0.002","90","","90","","90","","5782.7","1.6","203","2","203","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C24 H17 Br2 Cl2 F8 Fe N3 -","- C192 H136 Br16 Cl16 F64 Fe8 N24 -","8","1","","Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems","Organometallics","2005","24","","280","286","10.1021/om049297q","","","0.71073","MoKα","","0.1116","0.0513","","","0.0884","0.1019","","","","","","0.966","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060045","17.281","0.004","10.375","0.002","19.912","0.004","90","","90","","90","","3570.3","1.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 Cl N2 Ni -","- C18 H23 Cl N2 Ni -","- C144 H184 Cl8 N16 Ni8 -","8","1","","Hong M. Sun; Qing Shao; Dong M. Hu; Wan F. Li; Qi Shen; Yong Zhang","Indenylnickel(II) N-Heterocyclic Carbene Complexes: Synthesis via Indene Elimination and Catalytic Activity for Ethylene Dimerization","Organometallics","2005","24","","331","334","10.1021/om049334d","","","0.7107","MoKα","","","0.035","","","","0.049","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060096","19.296","0.003","17.896","0.003","21.224","0.004","90","","90","","90","","7329","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H24 N2 O10 Ru5 -","- C37 H24 N2 O10 Ru5 -","- C296 H192 N16 O80 Ru40 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0548","0.0439","","","0.0824","0.0909","","","","","","1.22","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060115","14.8881","0.0013","6.9587","0.0006","15.4139","0.0014","90","","90","","90","","1596.9","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H8 Au Cl N2 -","- C5 H8 Au Cl N2 -","- C40 H64 Au8 Cl8 N16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om049221u","","","0.71073","MoKα","","0.0393","0.0361","","0.1046","0.1018","","","","1.216","1.243","1.243","","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060127","20.36","0.003","20.087","0.002","22.375","0.002","90","","90","","90","","9151","2","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53.85 H53.55 Cl0.15 N4 P2 Ti -","- C53.85 H53.55 Cl0.15 N4 P2 Ti -","- C430.8 H428.4 Cl1.2 N32 P16 Ti8 -","8","1","","Rainer Vollmerhaus; Robert Tomaszewski; Pengcheng Shao; Nicholas J. Taylor; Kevin J. Wiacek; Stewart P. Lewis; Abdulaziz Al-Humydi; Scott Collins","","Organometallics","2005","","","","","10.1021/om0492350","","","0.71073","MoKα","","0.0569","0.0421","","","0.0906","0.0914","","","","","","2.254","","","","has coordinates,has disorder","178490","2020-10-21","18:00:00",""
"4060197","16.3884","0.001","19.5173","0.001","19.9185","0.001","90","","90","","90","","6371.1","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)ytterbium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 O14 Yb -","- C23 H25 Co4 O14 Yb -","- C184 H200 Co32 O112 Yb8 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0779","0.0417","","","0.1015","0.1205","","","","","","1.058","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060198","16.3813","0.001","19.7197","0.001","20.0949","0.001","90","","90","","90","","6491.3","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(diethylether)europium undecacarbonyl(tetracobalt)","","","- C23 H30 Co4 Eu O14 -","- C23 H30 Co4 Eu O14 -","- C184 H240 Co32 Eu8 O112 -","8","1","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0489","0.0349","","","0.0789","0.0847","","","","","","1.015","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060228","18.821","0.001","18.95","0.001","19.487","0.001","90","","90","","90","","6950.2","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","fac-[2-methoxycarbonylvinylbis(diphenylphosphanyl)methanide tricarbonyl tertbutylisocyanide manganese(I)]","","- C37 H34 Mn N O5 P2 -","- C37 H34 Mn N O5 P2 -","- C296 H272 Mn8 N8 O40 P16 -","8","1","","Javier Ruiz; Roberto Quesada; Víctor Riera; Eduardo Castellano; Oscar Piro","Metal-Assisted Regio- and Stereospecific Insertion of Alkynes into a C-H Bond, Leading to Functionalized Diphosphane Ligands","Organometallics","2004","23","","175","177","10.1021/om034269d","","","0.71073","MoKα","","0.0586","0.0421","","","0.1098","0.1224","","","","","","1.067","","","","has coordinates,has disorder","178491","2020-10-21","18:00:00",""
"4060333","17.613","0.0002","12.846","0.0003","20.98","0.0003","90","","90","","90","","4746.86","0.14","230","0.2","230","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N2 Ni O2 Si2 -","- C19 H32 N2 Ni O2 Si2 -","- C152 H256 N16 Ni8 O16 Si16 -","8","1","","Nelkenbaum, Elza; Kapon, Moshe; Eisen, Moris S.","Synthesis and Molecular Structures of Neutral Nickel Complexes. Catalytic Activity of (Benzamidinato)(acetylacetonato)nickel for the Addition Polymerization of Norbornene, the Oligomerization of Ethylene, and the Dimerization of Propylene","Organometallics","2005","24","11","2645","2659","10.1021/om0490379","","","","","","","","","","","","","","","","","","","","","has coordinates","178492","2020-10-21","18:00:00",""
"4060350","14.2005","0.0003","20.7594","0.0005","16.4489","0.0006","90","","90","","90","","4849","0.4","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H33 Cl Co F6 N2 P -","- C21 H32 Cl Co F6 N2 P -","- C168 H256 Cl8 Co8 F48 N16 P8 -","8","1","","Mike Robitzer; Imenne Bouamaied; Claude Sirlin; Preston A. Chase; Gerard van Koten; Michel Pfeffer","Transmetalation of Aryl Units from Gold(I) to Cobalt(III), A Clean Route to the Synthesis of Anion Cobaltoreceptors","Organometallics","2005","","","","","10.1021/om0490482","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060396","20.9484","0.0011","19.8989","0.001","21.2596","0.0011","90","","90","","90","","8862.1","0.8","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H54 B10 P2 Rh2 -","- C46 H54 B10 P2 Rh2 -","- C368 H432 B80 P16 Rh16 -","8","1","","Hodson, Bruce E.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis of the 13-Vertex Rhodacarborane Anion [4-(1,2:5,6-η-cod)- closo-4,1,6-RhC~2~B~10~H~12~]^-^ and its Reactions with Electrophiles","Organometallics","2005","","","","","10.1021/om049102e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060436","14.165","0.008","16.231","0.009","17.57","0.01","90","","90","","90","","4040","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","disiloxane-bis(1-indenyl)-ansa-ferrocene","","","- C22 H24 Fe O Si2 -","- C22 H24 Fe O Si2 -","- C176 H192 Fe8 O8 Si16 -","8","1","","Brook, Michael A.; Amako, Masaaki; Schinkel, Jonathan; McGlinchey, Michael J.; Britten, James F.","","Organometallics","2005","","","","","10.1021/om0491847","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060443","18.489","0.004","18.933","0.004","22.152","0.004","90","","90","","90","","7754","3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H57 Li N2 O P2 -","- C41 H57 Li N2 O P2 -","- C328 H456 Li8 N16 O8 P16 -","8","1","","M. Doux; L. Ricard; P. Le Floch; Y. Jean","On the regioselectivity of the addition of O2 on SPS-based Rh(I) and Ir(I) complexes","Organometallics","2005","","","","","10.1021/om0492045","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060465","21.529","0.003","22.213","0.003","25.426","0.004","90","","90","","90","","12159","3","118","2","118","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C63 H63 B F20 N2 Ti -","- C63 H63 B F20 N2 Ti -","- C504 H504 B8 F160 N16 Ti8 -","8","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060569","8.0303","0.0003","16.5205","0.0007","21.9315","0.0009","90","","90","","90","","2909.5","0.2","98","","98","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Zr -","- C16 H24 Zr -","- C128 H192 Zr8 -","8","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060570","19.562","0.001","19.585","0.001","44.077","0.001","90","","90","","90","","16886.9","1.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H43 B F4 P2 Pd -","- C51 H43 B F4 P2 Pd -","- C816 H688 B16 F64 P32 Pd16 -","16","2","","Christian Amatore; Ali A. Bahsoun; Anny Jutand; Laure Mensah; Gilbert Meyer; Louis Ricard","Rate and Mechanism of the Reaction of (E)-PhCH=CH-CH(Ph)-OAc with Palladium(0) Complexes","Organometallics","2005","","","","","10.1021/om049420d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060608","17.067","0.0003","19.23","0.0005","23.187","0.0005","90","","90","","90","","7609.9","0.3","30","2","30","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 F N4 O Ru -","- C43 H48 F N4 O Ru -","- C344 H384 F8 N32 O8 Ru8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060610","17.067","0.0003","19.23","0.0005","23.187","0.0005","90","","90","","90","","7609.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 F N4 O Ru -","- C43 H49 F N4 O Ru -","- C344 H392 F8 N32 O8 Ru8 -","8","1","","","","Organometallics","2006","","","","","10.1021/om0507427","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060700","17.194","0.0002","19.361","0.0002","23.192","0.0002","90","","90","","90","","7720.46","0.14","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H52 N4 O2 Ru -","- C43 H50 N4 O2 Ru -","- C344 H400 N32 O16 Ru8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060727","19.667","0.0001","14.458","0.0002","23.375","0.0003","90","","90","","90","","6646.58","0.13","183","","183","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 Al O2 Y -","- C32 H54 Al O2 Y -","- C256 H432 Al8 O16 Y8 -","8","1","","Fischbach, A.; Herdtweck, E.; Anwander, R.; Eickerling, G.; Scherer, W.","Reactivity of Trimethylaluminium with Lanthanide Aryloxides: Adduct and Tetramethylaluminate Formation","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060728","19.666","0.0001","14.45","0.0002","23.253","0.0002","90","","90","","90","","6607.89","0.11","183","","183","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 Al Lu O2 -","- C32 H54 Al Lu O2 -","- C256 H432 Al8 Lu8 O16 -","8","1","","Fischbach, A.; Herdtweck, E.; Anwander, R.; Eickerling, G.; Scherer, W.","Reactivity of Trimethylaluminium with Lanthanide Aryloxides: Adduct and Tetramethylaluminate Formation","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060745","11.9586","0.0005","20.3922","0.0008","23.0706","0.0009","90","","90","","90","","5626","0.4","142","2","142","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H42 N4 O -","- C29 H42 N4 O -","- C232 H336 N32 O8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060753","13.924","0.002","17.67","0.002","22.157","0.003","90","","90","","90","","5451.4","1.2","295","0.2","295","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl O Os P -","- C29 H33 Cl O Os P -","- C232 H264 Cl8 O8 Os8 P8 -","8","1","","Jorge J. Carbó; Pascale Crochet; Miguel A. Esteruelas; Yves Jean; Agustí Lledós; Ana M. López; Enrique Oñate","Two- and Four-Electron Alkyne Ligands in Osmium-Cyclopentadienyl Chemistry: Consequences of the π⊥→M Interaction","Organometallics","2002","21","","305","314","10.1021/om010645n","","","0.71069","MoKα","","0.0681","0.0351","","","0.0696","0.0813","","","","","","1.039","","","","has coordinates,has disorder","178496","2020-10-21","18:00:00",""
"4060777","20.482","0.004","9.485","0.002","33.63","0.007","90","","90","","90","","6533","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Br3 N O3 P Pd -","- C31 H35 Br3 N O3 P Pd -","- C248 H280 Br24 N8 O24 P8 Pd8 -","8","1","","Cera, M; Cerrada,E.; Laguna,M.; Mata, J. A.; Teruel, H.","","Organometallics","2002","","","","","10.1021/om010541c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060779","14.9434","0.0017","12.5281","0.0015","24.351","0.003","90","","90","","90","","4558.7","0.9","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tBuCalcocene.DME","","","- C24 H38 Ca O2 -","- C24 H38 Ca O2 -","- C192 H304 Ca8 O16 -","8","1","","Cera, M; Cerrada,E.; Laguna,M.; Mata, J. A.; Teruel, H.","","Organometallics","2002","","","","","10.1021/om010614s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060782","12.896","0.002","9.091","0.001","16.684","0.004","90","","90","","90","","1956","0.6","213","","213","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 I2 N4 Ni -","- C14 H24 I2 N4 Ni -","- C56 H96 I8 N16 Ni4 -","4","0.5","","McGuinness, David S.; Mueller, Wolfgang; Wasserscheid, Peter; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.; Englert, Ulli","Nickel(II) Heterocyclic Carbene Complexes as Catalysts for Olefin Dimerization in an Imidazolium Chloroaluminate Ionic Liquid","Organometallics","2002","21","1","175","181","10.1021/om010717a","","","","","","","","","","","","","","","","","","","","","has coordinates","208742","2020-10-21","18:00:00",""
"4060987","13.7651","0.0003","13.8575","0.0003","24.5446","0.0005","90","","90","","90","","4681.88","0.17","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B4 Ir Mo N O3 -","- C18 H31.69 B4 Ir Mo N O3 -","- C144 H253.52 B32 Ir8 Mo8 N8 O24 -","8","1","","Macías, Ramón; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce","Heterobimetallic Metallaborane Chemistry: Synthesis and Characterization of a ""Lightly Stabilized"" Molybdairidahexaborane, [{Cp*Ir}{(CO)3(THF)Mo}B4H8], and Its Direct Conversion to [{Cp*Ir}{(CO)3(L)Mo}B4H8] (L = CO, PPh3, NCPh, CNBu, NH3, PPh3CHC(O)OMe)","Organometallics","2004","23","25","5994","6001","10.1021/om049308f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061007","8.6882","0.0005","19.1772","0.0009","22.1636","0.001","90","","90","","90","","3692.8","0.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Al N2 -","- C22 H21 Al N2 -","- C176 H168 Al8 N16 -","8","1","","Cortright, Sarah B.; Coalter, Joseph N.; Pink, Maren; Johnston, Jeffrey N.","A Remarkably Facile Zirconium(IV) → Aluminum(III) β-Diketiminate Transmetalation That Also Results in a More Active Olefin Polymerization Catalyst upon Activation","Organometallics","2004","23","25","5885","5888","10.1021/om049364g","","","","","","","","","","","","","","","","","","","","","has coordinates","205839","2020-10-21","18:00:00",""
"4061079","9.3081","0.0004","17.561","0.001","18.0992","0.0007","90","","90","","90","","2958.5","0.2","296.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Cl2 Ru2 Se2 -","- C26 H44 Cl2 Ru2 Se2 -","- C104 H176 Cl8 Ru8 Se8 -","4","0.5","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061135","15.87","0.0003","18.994","0.0003","32.514","0.0008","90","","90","","90","","9800.9","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H67 N O P2 Ru -","- C54 H67 N O P2 Ru -","- C432 H536 N8 O8 P16 Ru8 -","8","1","","Lo, Yih-Hsing; Hsu, Sheng-Cheng; Huang, Shou-Ling; Lin, Ying-Chih; Liu, Yi-Hong; Wang, Yu","Preparation of Ruthenium Azirinyl Complexes and Reversed Regiospecificity of the Carbonyl Insertion Reaction","Organometallics","2004","23","25","5924","5933","10.1021/om049528t","","","","","","","0.0711","","","0.1785","","","","","","","","","","","has coordinates","209965","2020-10-21","18:00:00",""
"4061204","9.1234","0.0008","15.8433","0.0009","20.255","0.002","90","","90","","90","","2927.8","0.4","200","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Li2 O4 Se2 -","- C28 H40 Li2 O4 Se2 -","- C112 H160 Li8 O16 Se8 -","4","0.5","","Wallbank, Andrew I.; Brown, Martin J.; Nitschke, Christian; Corrigan, John F.","Biphenylene-4,4'-diselenolate as a Molecular Bridge: Preparation and Characterization of [PdCl(PnBu3)2Se-C6H4-C6H4-Se-PdCl(PnBu3)2]","Organometallics","2004","23","23","5648","5651","10.1021/om049721n","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209938","2020-10-21","18:00:00",""
"4061284","16.937","0.001","16.8727","0.001","19.7224","0.0012","90","","90","","90","","5636.1","0.6","223","2","223","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C19 H36 F6 I N2 O2 P Ru S2 -","- C19 H36 F6 I N2 O2 P Ru S2 -","- C152 H288 F48 I8 N16 O16 P8 Ru8 S16 -","8","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates","133680","2020-10-21","18:00:00",""
"4061285","10.0476","0.0005","18.5151","0.0009","24.9301","0.0012","90","","90","","90","","4637.8","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H32 F6 N P Ru S2 -","- C19 H32 F6 N P Ru S2 -","- C152 H256 F48 N8 P8 Ru8 S16 -","8","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133680","2020-10-21","18:00:00",""
"4061413","9.0545","0.0001","15.0141","0.0002","29.1285","0.0003","90","","90","","90","","3959.88","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Bisdimethylsulfoxide-bis(2-tolyl)platinum","cis-syn-Bisdimethylsulfoxide-bis(2-tolyl)platinum(II)","","- C18 H26 O2 Pt S2 -","- C18 H26 O2 Pt S2 -","- C144 H208 O16 Pt8 S16 -","8","1","","Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang","Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation","Organometallics","2005","24","17","4125","4131","10.1021/om050076+","","","0.71073","MoKα","","0.0745","0.0544","","","0.1166","0.1212","","","","","","1.447","","","","has coordinates","133898","2020-10-21","18:00:00",""
"4061435","17.8889","0.0003","16.9945","0.0003","22.0581","0.0005","90","","90","","90","","6705.9","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H21 O7 Os3 P2 S -","- C34 H21 O7 Os3 P2 S -","- C272 H168 O56 Os24 P16 S8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050110k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061481","14.9688","0.0007","19.8758","0.0011","17.3339","0.001","90","","90","","90","","5157.1","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 B Cl2 O Ti -","- C27 H35 B Cl2 O Ti -","- C216 H280 B8 Cl16 O8 Ti8 -","8","1","","Cole, Sarah C.; Coles, Martyn P.; Hitchcock, Peter B.","Boroxide Complexes of the group 4 Metals: A 'Non-Innocent' Ligand in Olefin Polymerisation","Organometallics","2005","24","13","3279","3289","10.1021/om050202+","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061562","24.974","0.005","18.245","0.004","25.181","0.005","90","","90","","90","","11474","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H51 B F24 P3 Rh -","- C55 H51 B F24 P3 Rh -","- C440 H408 B8 F192 P24 Rh8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om0503489","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061595","11.311","0.003","25.042","0.004","45.647","0.003","90","","90","","90","","12930","4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H93 B Fe N2 O0 P4 -","- C69 H93 B Fe N2 P4 -","- C552 H744 B8 Fe8 N16 P32 -","8","1","","Venâncio, Ana I. F.; Guedes da Silva, M. Fátima C.; Martins, Luísa M. D. R. S.; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.","Allenylidene Iron(II) Complexes and Their Deprotonation, Nucleophilic Addition Reactions and Cathodic Protonation toward Alkynyl Derivatives, a Chemical and Electrochemistry Study","Organometallics","2005","24","19","4654","4665","10.1021/om050408a","","","","","","","","","","","","","","","","","","","","","has coordinates","133619","2020-10-21","18:00:00",""
"4061669","13.352","0.002","19.546","0.003","16.723","0.002","90","","90","","90","","4364.2","1.1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Al F12 N2 O3 -","- C15 H21 Al F12 N2 O3 -","- C120 H168 Al8 F96 N16 O24 -","8","1","","Amgoune Abderramane; Lavanant Laurent; Thomas Christophe; Chi Yun; Welter Richard; Dagorne Samuel; Carpentier Jean-Francois","An aluminum complex supported by a fluorous diamino-dialkoxide ligand for the highly productive ring opening polymerization of e-caprolactone","Organometallics","2005","","","","","10.1021/om050512s","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061682","13.0029","0.0006","24.801","0.0011","35.8438","0.0016","90","","90","","90","","11559.1","0.9","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44.5 N2.5 P Ru -","- C30 H44.5 N2.5 P Ru -","- C480 H712 N40 P16 Ru16 -","16","2","","","Exploring the Influence of Ligand Charge and Geometry on the Properties of New Coordinatively Unsaturated Cp*Ru(kappa2-P,N) Complexes","Organometallics","2005","","","","","10.1021/om050534e","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061696","11.156","0.002","15.78","0.003","30.671","0.006","90","","90","","90","","5399.7","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H46 P2 Pd -","- C25 H46 P2 Pd -","- C200 H368 P16 Pd8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om0505561","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061727","9.2322","0.0001","16.1665","0.0002","30.086","0.0005","90","","90","","90","","4490.41","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H37 N O4 Ti -","- C21 H37 N O4 Ti -","- C168 H296 N8 O32 Ti8 -","8","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061728","25.9133","0.0002","21.7844","0.0001","23.7752","0.0002","90","","90","","90","","13421.2","0.17","120","1","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C65 H104 N4 O8 Zr2 -","- C65 H104 N4 O8 Zr2 -","- C520 H832 N32 O64 Zr16 -","8","1","","Carpentier; Lehmann","","Organometallics","2005","","","","","10.1021/om0505817","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061734","14.847","0.002","14.354","0.002","16.395","0.003","90","","90","","90","","3493.9","0.9","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 B7 Fe2 O6 S -","- C9 H13 B7 Fe2 O6 S -","- C72 H104 B56 Fe16 O48 S8 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-","Organometallics","2005","","","","","10.1021/om050584j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061749","14.685","0.0001","18.1332","0.0001","17.2624","0.0001","90","","90","","90","","4596.74","0.05","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 La -","- C18 H39 Al2 La -","- C144 H312 Al16 La8 -","8","1","","Dietrich, M. H.; Zapilko, C.; Herdtweck, E.; Anwander, R.","Ln(AlMe~4~)~3~ as New Synthetic Precursors in Organolanthanide Chemistry: Efficient Access to Half-Sandwich Hydrocarbyl Complexes","Organometallics","2005","24","23","5767","5771","10.1021/om0506163","","","0.71073","MoKα","","0.0317","0.0222","","","0.0504","0.0537","","","","","","1.059","","","","has coordinates","297721","2025-02-13","15:45:08",""
"4061773","12.409","0.0005","17.369","0.001","28.447","0.0015","90","","90","","90","","6131.2","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H31 Ir N2 O2 -","- C37 H31 Ir N2 O2 -","- C296 H248 Ir8 N16 O16 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050638p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061792","16.93","0.003","11.47","0.002","33.827","0.007","90","","90","","90","","6569","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H52 B10 Na2 O4 -","- C23 H52 B10 Na2 O4 -","- C184 H416 B80 Na16 O32 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050683x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061865","16.0948","0.0011","14.5096","0.001","20.7994","0.0015","90","","90","","90","","4857.3","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl2 I N2 O Rh -","- C21 H26 Cl2 I N2 O Rh -","- C168 H208 Cl16 I8 N16 O8 Rh8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061886","10.2801","0.0001","18.2507","0.0001","32.1378","0.0003","90","","90","","90","","6029.66","0.09","150","","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H35 Cl Fe N O2 P Pd -","- C34 H35 Cl Fe N O2 P Pd -","- C272 H280 Cl8 Fe8 N8 O16 P8 Pd8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062016","15.5864","0.0007","16.2149","0.0007","23.5128","0.0011","90","","90","","90","","5942.4","0.5","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H30 Cl2 N4 Ti -","- C32 H30 Cl2 N4 Ti -","- C256 H240 Cl16 N32 Ti8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062020","18.886","0.004","12.885","0.003","26.254","0.005","90","","90","","90","","6389","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H30 N O2 S8 Sb -","- C26 H30 N O2 S8 Sb -","- C208 H240 N8 O16 S64 Sb8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062032","11.5205","0.0011","24.491","0.002","31.73","0.003","90","","90","","90","","8952.7","1.5","103","2","103","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C44 H46 B2 Cl2 F8 N Ni P3 -","- C44 H46 B2 Cl2 F8 N Ni P3 -","- C352 H368 B16 Cl16 F64 N8 Ni8 P24 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062094","9.8013","0.0002","17.6699","0.0004","36.0172","0.0009","90","","90","","90","","6237.7","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H56 Li2 N4 P2 -","- C24 H56 Li2 N4 P2 -","- C192 H448 Li16 N32 P16 -","8","1","","Bauer, Tillmann; Schulz, Stephan; Nieger, Martin","Bis(alkylamino)phosphanes - Deprotonation Reactions and reactivity of t-BuP(NH-tBu)2 toward Group 13 Compounds","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062095","12.8303","0.0002","16.7407","0.0003","18.6533","0.0004","90","","90","","90","","4006.51","0.13","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H37 Al N3 P -","- C15 H37 Al N3 P -","- C120 H296 Al8 N24 P8 -","8","1","","Bauer, Tillmann; Schulz, Stephan; Nieger, Martin","Bis(alkylamino)phosphanes - Deprotonation Reactions and reactivity of t-BuP(NH-tBu)2 toward Group 13 Compounds","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062161","18.1341","0.001","20.0259","0.0011","23.747","0.0013","90","","90","","90","","8623.8","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[2,6-Mes2C6H3Ga(Cl)(u-OH)]2","","","- C48 H52 Cl2 Ga2 O2 -","- C48 H52 Cl2 Ga2 O2 -","- C384 H416 Cl16 Ga16 O16 -","8","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062285","18.916","0.003","19.462","0.002","34.126","0.005","90","0.001","90","0.001","90","0.001","12563","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H43 F2 N Si3 -","- C30 H43 F2 N Si3 -","- C480 H688 F32 N16 Si48 -","16","2","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062288","11.1825","0.0011","18.9678","0.0019","17.701","0.0017","90","","90","","90","","3754.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H32 F2 Si -","- C19 H32 F2 Si -","- C152 H256 F16 Si8 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062295","14.915","0.002","17.358","0.002","18.286","0.002","90","","90","","90","","4734.2","1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H45 Li N4 Ni -","- C19 H45 Li N4 Ni -","- C152 H360 Li8 N32 Ni8 -","8","1","","Alberti, Davide; Goddard, Richard; Rufińska, Anna; Pörschke, Klaus-Richard","π-Allyl Nickelate(II) and Palladate(II) Complexes","Organometallics","2003","22","20","4025","4029","10.1021/om030448j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192070","2020-10-21","18:00:00",""
"4062303","14.1633","0.0011","14.764","0.0011","18.7081","0.0014","90","","90","","90","","3912","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bromodicarbonyliridium(I)(mu,sigma,pi-2,4,6-trimethylphenyl)(1,5-cyclooctadien","","","- C19 H23 Br Ir2 O2 -","- C19 H23 Br Ir2 O2 -","- C152 H184 Br8 Ir16 O16 -","8","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0366","","","0.0886","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062304","14.2533","0.0006","14.6197","0.0006","21.3585","0.0008","90","","90","","90","","4450.7","0.3","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dicarbonyl(2,6-dimethylphenyl)iridium(I)(mu,sigma,pi-2,6-dimethylphenyl)(1,5-c","","","- C26 H30 Ir2 O2 -","- C26 H30 Ir2 O2 -","- C208 H240 Ir16 O16 -","8","1","","Muldoon, John; Brown, Seth N.","Unsymmetrically Bridging Aryls of Iridium","Organometallics","2003","22","22","4480","4489","10.1021/om0304816","","","","","","","0.0232","","","0.0617","","","","","","","","","","","has coordinates","192098","2020-10-21","18:00:00",""
"4062320","11.532","0.002","23.943","0.005","25.042","0.005","90","","90","","90","","6914","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 F P2 Pt -","- C42 H35 F P2 Pt -","- C336 H280 F8 P16 Pt8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062350","8.7633","0.0006","7.8939","0.0006","38.657","0.003","90","","90","","90","","2674.2","0.3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 B N4 Na O2 -","- C12 H15 B N Na O2 -","- C96 H120 B8 N8 Na8 O16 -","8","1","","Ramírez-López, Pedro; Sierra, Miguel A.; Gómez-Gallego, Mar; Mancheño, María José; Gornitzka, Heinz","New Reactivity Modes of Chromium(0) Fischer Carbene Complexes: Unprecedented Insertion of a Carbene Ligand into an Active B-H Bond","Organometallics","2003","22","24","5092","5099","10.1021/om034010v","","","","","","","","","","","","","","","","","","","","","has coordinates","192156","2020-10-21","18:00:00",""
"4062351","17.173","0.004","17.134","0.004","17.322","0.004","90","","90","","90","","5097","2","220","2","220","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl2 Fe P2 Zn -","- C22 H36 Cl2 Fe P2 Zn -","- C176 H288 Cl16 Fe8 P16 Zn8 -","8","1","","Ong, Joyce H. L.; Nataro, Chip; Golen, James A.; Rheingold, Arnold L.","Electrochemistry of Late Transition Metal Complexes Containing the Ligand 1,1'-Bis(diisopropylphosphino)ferrocene (dippf)","Organometallics","2003","22","24","5027","5032","10.1021/om0340138","","","","","","","","","","","","","","","","","","","","","has coordinates","192154","2020-10-21","18:00:00",""
"4062361","20.06","0.009","14.878","0.003","13.278","0.002","90","","90","","90","","3963","2","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O4 Sn -","- C22 H18 N2 O4 Sn -","- C176 H144 N16 O32 Sn8 -","8","1","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062362","17.827","0.008","38.485","0.007","15.181","0.003","90","","90","","90","","10415","5","173.2","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 N2 O4 Sn -","- C28 H30 N2 O4 Sn -","- C448 H480 N32 O64 Sn16 -","16","2","","Dakternieks, Dainis; Duthie, Andrew; Smyth, Douglas R.; Stapleton, Clynton P. D.; Tiekink, Edward R. T.","Steric Control over Molecular Structure and Supramolecular Association Exerted by Tin- and Ligand-Bound Groups in Diorganotin Carboxylates","Organometallics","2003","22","22","4599","4603","10.1021/om0340140","","","","","","","","","","","","","","","","","","","","","has coordinates","192115","2020-10-21","18:00:00",""
"4062380","17.3441","0.0002","13.4557","0.0001","18.4594","0.0002","90","","90","","90","","4308","0.08","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H10 F6 N6 O2 Ru -","- C20 H10 F6 N6 O2 Ru -","- C160 H80 F48 N48 O16 Ru8 -","8","1","","Wu, Pei-Chi; Yu, Jen-Kan; Song, Yi-Hwa; Chi, Yun; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and Characterization of Metal Complexes Possessing the 5-(2-Pyridyl) Pyrazolate Ligands: The Observation of Remarkable Osmium-Induced Blue Phosphorescence in Solution at Room Temperature","Organometallics","2003","22","24","4938","4946","10.1021/om034037e","","","","","","","","","","","","","","","","","","","","","has coordinates","192142","2020-10-21","18:00:00",""
"4062454","10.716","0.0003","15.3055","0.0004","24.9766","0.0005","90","","90","","90","","4096.51","0.18","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[{Ti(NtBu)(C7H12N3)2}2]","","","- C36 H66 N14 Ti2 -","- C36 H66 N14 Ti2 -","- C144 H264 N56 Ti8 -","4","0.5","","Coles, Martyn P.; Hitchcock, Peter B.","Exploration of the Suitability of Bicyclic Guanidinates as Ligands in Catalytic Chemistry Mediated by Titanium","Organometallics","2003","22","25","5201","5211","10.1021/om0341092","","","","","","","","","","","","","","","","","","","","","has coordinates","295430","2024-10-11","09:41:29",""
"4062463","18.832","0.0002","15.717","0.0001","31.374","0.0004","90","","90","","90","","9286.16","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Cl F5 P2 Pt -","- C48 H56 Cl F5 P2 Pt -","- C384 H448 Cl8 F40 P16 Pt8 -","8","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062499","17.58","0.0006","28.504","0.0014","18.3953","0.0008","90","","90","","90","","9217.9","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C88 H124 Ge4 Te6 -","- C88 H124 Ge4 Te6 -","- C352 H496 Ge16 Te24 -","4","0.5","","Ramaker, Gerhard; Saak, Wolfgang; Haase, Detlev; Weidenbruch, Manfred","Reaction Modes of a Tetragermabutadiene: Cycloadditions versus Ge-Ge Bond Cleavages","Organometallics","2003","22","25","5212","5216","10.1021/om034123e","","","","","","","","","","","","","","","","","","","","","has coordinates","218190","2020-10-21","18:00:00",""
"4062512","17.789","0.017","17.802","0.017","25.81","0.03","90","","90","","90","","8175","14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H72 N4 P2 Zr -","- C32 H72 N4 P2 Zr -","- C256 H576 N32 P16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062548","17.2959","0.0008","21.9714","0.001","31.4784","0.0015","90","","90","","90","","11962.3","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(2,6-Mes2C6H3)2Al]+[B(C6F5)4]-","","","- C72 H50 Al B F20 -","- C72 H50 Al B F20 -","- C576 H400 Al8 B8 F160 -","8","1","","Jackie D. Young; Masood A. Khan; Rudolf J. Wehmschulte","Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound Synthesis and characterization of an almost linear, quasi-two-coordinate, cationic diorganoaluminum compound","Organometallics","2004","","","","","10.1021/om0341707","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062589","8.506","0.01","11.121","0.013","23.51","0.03","90","","90","","90","","2224","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H16 N3 O3 P -","- C9 H16 N3 O3 P -","- C72 H128 N24 O24 P8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062592","11.836","0.013","13.693","0.014","22.41","0.02","90","","90","","90","","3633","7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cr N3 O7 P -","- C14 H16 Cr N3 O7 P -","- C112 H128 Cr8 N24 O56 P8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343059","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062594","14.343","0.002","16.922","0.002","18.654","0.003","90","","90","","90","","4527.6","1.1","293","","293","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 Br1.46 Cl0.54 N2 O Si2 U -","- C12 H30 Br1.466 Cl0.534 N2 O Si2 U -","- C96 H240 Br11.728 Cl4.272 N16 O8 Si16 U8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0343115","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4062598","12.1527","0.0003","26.1821","0.0006","29.1065","0.0006","90","","90","","90","","9261.2","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H37 Cl N2 Pd -","- C26 H37 Cl N2 Pd -","- C416 H592 Cl16 N32 Pd16 -","16","2","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062605","10.6","0.002","12.176","0.003","18.977","0.004","90","","90","","90","","2449.2","0.9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Ge4 O2 -","- C18 H36 Ge4 O2 -","- C72 H144 Ge16 O8 -","4","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062607","9.297","0.0019","11.214","0.002","19.78","0.004","90","","90","","90","","2062.2","0.7","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H28 O2 Si4 -","- C16 H28 O2 Si4 -","- C64 H112 O8 Si16 -","4","0.5","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062608","10.628","0.002","11.837","0.002","30.335","0.006","90","","90","","90","","3816.1","1.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H28 O2 Si3 -","- C15 H28 O2 Si3 -","- C120 H224 O16 Si24 -","8","1","","Tsutsui, Shinobu; Sakamoto, Kenkichi","2,3,5,6-Tetrasilyl- and 2,3,5,6-tetragermyl-1,4-benzoquinones: X-ray Crystallographic Analysis and DFT Calculations","Organometallics","2004","","","","","10.1021/om034325a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062628","15.181","0.004","14.173","0.004","35.52","0.009","90","","90","","90","","7642","4","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Cl2 N2 Ni P2 Ru2 S2 -","- C31 H38 Cl2 N2 Ni P2 Ru2 S2 -","- C248 H304 Cl16 N16 Ni8 P16 Ru16 S16 -","8","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2004","","","","","10.1021/om034373v","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4062629","14.4215","0.0006","17.3662","0.0007","18.5927","0.0008","90","","90","","90","","4656.5","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H19 B N6 O Ru S2 -","- C22 H19 B N6 O Ru S2 -","- C176 H152 B8 N48 O8 Ru8 S16 -","8","1","","Standfest-Hauser, Christina M.; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Reaction of Diaryldisulfides with RuTp(COD)Cl in N,N'-Dimethylformamide - Formation of 2-Arylmercapto-arylmercaptan Complexes","Organometallics","2004","","","","","10.1021/om034375f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062651","20.389","0.004","35.761","0.007","15.244","0.003","90","","90","","90","","11115","4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H80 K2 O12 Si5 -","- C39 H80 K2 O12 Si5 -","- C312 H640 K16 O96 Si40 -","8","1","","","","Organometallics","2004","","","","","10.1021/om034396+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062657","12.167","0.001","15.956","0.002","18.452","0.002","90","","90","","90","","3582.2","0.7","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H19 I N2 Pt -","- C18 H19 I N2 Pt -","- C144 H152 I8 N16 Pt8 -","8","1","","Bayler, Angela; Canty, Allan J.; Ryan, John H.; Skelton, Brian W.; White, Allan H.","Arylation of palladium(II) and platinum(II) by diphenyliodonium triflate to form metal(IV) species, and a structural analysis of PtIMe2Ph(bpy) (bpy= 2,2'-bipyridine).","Organometallics","2004","","","","","10.1021/om040023c","","","","","","","","","","","","","","","","","","","","","has coordinates","208199","2020-10-21","18:00:00",""
"4062669","14.185","0.001","20.369","0.002","21.522","0.002","90","","90","","90","","6218.4","0.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Cl3 N O10 Os3 Sn -","- C19 H22 Cl3 N O10 Os3 Sn -","- C152 H176 Cl24 N8 O80 Os24 Sn8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0400301","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062683","17.0553","0.0004","20.1437","0.0006","19.2039","0.0006","90","","90","","90","","6597.6","0.3","150","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","Ru(xantsil)(CO)(PMe3)3","","","- C29 H51 O2 P3 Ru Si2 -","- C29 H51 O2 P3 Ru Si2 -","- C232 H408 O16 P24 Ru8 Si16 -","8","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049379e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062715","16.5507","0.0016","18.1645","0.0015","20.1236","0.0018","90","","90","","90","","6049.9","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 Ca N4 -","- C26 H50 Ca N4 -","- C208 H400 Ca8 N32 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049566c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062737","17.588","0.006","17.659","0.008","15.05","0.006","90","","90","","90","","4674","2","293.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Fe4 -","- C27.9 Fe4 -","- C223.2 Fe32 -","8","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049606c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062848","16.534","0.0001","19.222","0.0001","27.539","0.0002","90","","90","","90","","8752.35","0.09","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H42 Cd F10 N4 O2 Pt -","- C42 H42 Cd F10 N4 O2 Pt -","- C336 H336 Cd8 F80 N32 O16 Pt8 -","8","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062876","17.229","0.0006","16.447","0.0005","21.3131","0.0007","90","","90","","90","","6039.4","0.3","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H47 Cl Fe P2 Pd -","- C28 H47 Cl Fe P2 Pd -","- C224 H376 Cl8 Fe8 P16 Pd8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0497285","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062879","16.559","0.002","7.331","0.0009","38.161","0.005","90","","90","","90","","4632.6","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl O Ru -","- C28 H29 Cl O Ru -","- C224 H232 Cl8 O8 Ru8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049732g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062890","9.543","0.0015","11.733","0.0016","17.563","0.003","90","","90","","90","","1966.5","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Fe2 O2 -","- C26 H20 Fe2 O2 -","- C104 H80 Fe8 O8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om049739y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062896","8.753","0.002","18.251","0.004","25.778","0.005","90","","90","","90","","4118.1","1.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H30 F N Zr -","- C25 H30 F N Zr -","- C200 H240 F8 N8 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049745u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062950","10.1345","0.0006","17.4948","0.0004","19.2433","0.0006","90","0.001","90","0.001","90","0.001","3411.9","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 N2 O4 -","- C48 H32 N2 O4 -","- C192 H128 N8 O16 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0497902","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062961","17.935","0.004","19.412","0.004","29.048","0.006","90","","90","","90","","10113","4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H39 B F24 Fe O2 -","- C50 H39 B F24 Fe O2 -","- C400 H312 B8 F192 Fe8 O16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049793e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063035","22.4895","0.0005","17.4563","0.0004","24.1544","0.0006","90","","90","","90","","9482.6","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H35 B Cl2 F20 N2 Zr -","- C47 H35 B Cl2 F20 N2 Zr -","- C376 H280 B8 Cl16 F160 N16 Zr8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063068","11.068","0.007","15.049","0.009","26.599","0.016","90","","90","","90","","4430","5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 N3 Yb -","- C21 H34 N3 Yb -","- C168 H272 N24 Yb8 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063069","11.058","0.005","15.086","0.007","26.498","0.012","90","","90","","90","","4420","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Er N3 -","- C21 H34 Er N3 -","- C168 H272 Er8 N24 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063070","11.145","0.004","15.116","0.006","26.522","0.01","90","","90","","90","","4468","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Dy N3 -","- C21 H34 Dy N3 -","- C168 H272 Dy8 N24 -","8","1","","","","Organometallics","2004","","","","","10.1021/om049866u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063111","17.949","0.007","8.668","0.002","20.85","0.004","90","","90","","90","","3243.9","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Fe N2 Si2 -","- C32 H52 Fe N2 Si2 -","- C128 H208 Fe4 N8 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063112","20.706","0.004","18.326","0.003","8.849","0.004","90","","90","","90","","3357.8","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Co N2 Si2 -","- C32 H52 Co N2 Si2 -","- C128 H208 Co4 N8 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063113","20.69","0.003","18.295","0.002","8.856","0.001","90","","90","","90","","3352.2","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H52 N2 Ni Si2 -","- C32 H52 N2 Ni Si2 -","- C128 H208 N8 Ni4 Si8 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0498955","","","","","","","0.058","","","0.1225","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063270","16.7551","0.0007","21.3806","0.0005","16.9183","0.0004","90","","90","","90","","6060.7","0.3","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Ti -","- C40 H36 Ti -","- C320 H288 Ti8 -","8","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0724","0.0454","","","0.1176","0.1282","","","","","","0.996","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063313","19.9767","0.0002","19.9099","0.0002","25.849","0.0002","90","","90","","90","","10281","0.2","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H52 N2 O2 P3 Re -","- C61 H52 N2 O2 P3 Re -","- C488 H416 N16 O16 P24 Re8 -","8","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0935","0.0426","","","0.0857","0.1176","","","","","","1.157","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063368","9.6666","0.0017","15.015","0.003","17.43","0.003","90","","90","","90","","2529.9","0.8","113.1","","113","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H7 F5 O4 -","- C13 H7 F5 O4 -","- C104 H56 F40 O32 -","8","1","","Kashiwabara, Taigo; Tanaka, Masato","Arylglyoxylrhodium Complexes, Their Thermolysis, and Attempted Generation by Carbonylation of an Aroylrhodium Complex","Organometallics","2011","30","2","239","244","10.1021/om101079e","","","0.7107","MoKα","","","0.0514","","","","0.0665","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063369","11.3342","0.001","17.516","0.0016","32.797","0.003","90","","90","","90","","6511.2","1","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H27 N O -","- C17 H27 N O -","- C272 H432 N16 O16 -","16","2","","Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.","Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization","Organometallics","2011","30","2","251","262","10.1021/om1008742","","","0.71073","MoKα","","0.0658","0.0546","","","0.1423","0.1583","","","","","","1.116","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063390","21.901","0.005","20.48","0.005","24.603","0.006","90","","90","","90","","11035","5","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H116 B60 Cl2 Ru6 Se12 -","- C53 H116 B60 Cl2 Ru6 Se12 -","- C212 H464 B240 Cl8 Ru24 Se48 -","4","0.5","","Hu, Jiurong; Wen, Jialin; Wu, Dehong; Zhang, Rui; Liu, Guifeng; Jiang, Qibai; Li, Yizhi; Yan, Hong","Multinuclear Self-Assembly via a (p-Cymene)ruthenium Unit and ano-Carborane Selenolate Ligand","Organometallics","2011","30","2","298","304","10.1021/om1010275","","","0.71073","MoKα","","0.0505","0.0389","","","0.0982","0.1027","","","","","","1.087","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063461","12.0093","0.0005","17.815","0.003","18.282","0.004","90","","90","","90","","3911.4","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BzRu(Cl)PhNacNac","","","- C23 H23 Cl N2 Ru -","- C23 H23 Cl N2 Ru -","- C184 H184 Cl8 N16 Ru8 -","8","1","","Phillips, Andrew D.; Zava, Olivier; Scopelitti, Rosario; Nazarov, Alexey A.; Dyson, Paul J.","Rational Design of Highly Cytotoxic η6-Arene β-Diketiminato−Ruthenium Complexes","Organometallics","2010","29","2","417","","10.1021/om900991b","","","0.71073","MoKα","","0.0425","0.0251","","","0.0495","0.0575","","","","","","1.176","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063473","15.7","0.004","18.927","0.005","21.459","0.005","90","","90","","90","","6377","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H33 Cl2 N2 P Pd -","- C35 H33 Cl2 N2 P Pd -","- C280 H264 Cl16 N16 P8 Pd8 -","8","1","","Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man","Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes","Organometallics","2010","29","2","463","472","10.1021/om9009203","","x-ray","0.71073","MoKα","","0.2059","0.0622","","","0.1286","0.1767","","","","","","0.88","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063523","11.5966","0.0005","15.1252","0.0007","20.7926","0.0011","90","","90","","90","","3647","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H23 F3 N2 O3 S -","- C16 H23 F3 N2 O3 S -","- C128 H184 F24 N16 O24 S8 -","8","1","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia","Insertion of Isocyanides, Isothiocyanates, and Carbon Monoxide into the Pd‒C Bond of Cyclopalladated Complexes Containing Primary Arylalkylamines of Biological and Pharmaceutical Significance. Synthesis of Lactams and Cyclic Amidinium Salts Related to the Isoquinoline, Benzo[g]isoquinoline, and β-Carboline Nuclei","Organometallics","2009","28","2","448","464","10.1021/om800951k","","","0.71073","MoKα","","0.0391","0.0355","","","0.0861","0.0886","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063652","21.7445","0.0015","16.7738","0.0019","21.9364","0.0019","90","","90","","90","","8001","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H26 Cl2 O9 Os3 P2 -","- C40 H25 Cl2 O9 Os3 P2 -","- C320 H200 Cl16 O72 Os24 P16 -","8","1","","Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G.","Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2]","Organometallics","2011","30","5","1253","","10.1021/om100783f","","","0.71073","MoKα","","0.0697","0.0388","","","0.0748","0.0805","","","","","","1.028","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063655","11.884","0.002","17.465","0.003","30.543","0.006","90","","90","","90","","6339","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.5 H20 Cl N O7 Ru3 -","- C35.5 H20 Cl N O7 Ru3 -","- C284 H160 Cl8 N8 O56 Ru24 -","8","1","","Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond","Organometallics","2011","30","4","676","","10.1021/om1008007","","","0.7107","MoKα","","0.0507","0.0466","","","0.0852","0.0868","","","","","","1.204","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063699","7.8078","0.0002","18.8536","0.0005","27.1182","0.0006","90","","90","","90","","3991.94","0.17","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(H)(Cl)(CO)","","","- C13 H8 Cl F12 Ir O P2 -","- C13 H8 Cl F12 Ir O P2 -","- C104 H64 Cl8 F96 Ir8 O8 P16 -","8","1","","Adams, Jeramie J.; Lau, Ade; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium Chemistry: (CF3PCP)IrIIICoordination Properties","Organometallics","2011","30","4","689","","10.1021/om1008633","","","0.71073","MoKα","","0.0402","0.0277","","","0.0494","0.0527","","","","","","1.128","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063704","14.2823","0.0002","18.7051","0.0002","19.6477","0.0002","90","","90","","90","","5248.92","0.11","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(NBU)","","","- C21 H23 F12 Ir N2 P2 -","- C21 H23 F12 Ir N2 P2 -","- C168 H184 F96 Ir8 N16 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0568","0.0368","","","0.0756","0.081","","","","","","1.108","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063705","14.8158","0.0009","9.8214","0.0005","27.224","0.0015","90","","90","","90","","3961.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(CO)2","","","- C14 H7 F12 Ir O2 P2 -","- C14 H7 F12 Ir O2 P2 -","- C112 H56 F96 Ir8 O16 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0493","0.0293","","","0.061","0.0672","","","","","","1.017","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063710","12.992","0.0004","18.4778","0.0005","26.8556","0.0008","90","","90","","90","","6447.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(COD).2benzene","","","- C32 H31 F12 Ir P2 -","- C32 H31 F12 Ir P2 -","- C256 H248 F96 Ir8 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.0754","0.0323","","","0.0607","0.0734","","","","","","0.996","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063713","16.0414","0.0003","15.3728","0.0003","16.6881","0.0003","90","","90","","90","","4115.31","0.13","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3PCP)Ir(CO)(I)(CH3)","","","- C14 H10 F12 I Ir O P2 -","- C14 H10 F12 I Ir O P2 -","- C112 H80 F96 I8 Ir8 O8 P16 -","8","1","","Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries","Organometallics","2011","30","4","697","","10.1021/om100864g","","","0.71073","MoKα","","0.036","0.0237","","","0.0469","0.0509","","","","","","1.014","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063725","16.3082","0.0011","24.8178","0.0017","25.2409","0.0015","90","","90","","90","","10215.8","1.2","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H39 Br4 Cl4 Hg3 Ir O2 P2 -","- C46 H39 Br4 Cl4 Hg3 Ir O2 P2 -","- C368 H312 Br32 Cl32 Hg24 Ir8 O16 P16 -","8","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Söhnel, Tilo; Wright, L. James","Regioselective Mono-, Di-, and Trifunctionalization of Iridabenzofurans through Electrophilic Substitution Reactions","Organometallics","2011","30","1","129","","10.1021/om100888z","","","0.71073","MoKα","","0.2152","0.0766","","","0.1732","0.2199","","","","","","0.842","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063751","17.536","0.004","14.112","0.003","18.461","0.004","90","","90","","90","","4568.5","1.7","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H36 Mo N2 O -","- C23 H36 Mo N2 O -","- C184 H288 Mo8 N16 O8 -","8","1","","Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten","Organometallics","2011","30","4","738","","10.1021/om100909m","","","0.71073","MoKα","","0.0995","0.041","","","0.0778","0.0949","","","","","","0.985","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063753","15.4028","0.0002","17.6693","0.0002","21.523","0.0003","90","","90","","90","","5857.63","0.13","100","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28.5 H31 Cl Cr N2 O4 P2 -","- C28.5 H31 Cl Cr N2 O4 P2 -","- C228 H248 Cl8 Cr8 N16 O32 P16 -","8","1","","Dulai, Arminderjit; McMullin, Claire L.; Tenza, Kenny; Wass, Duncan F.","N,N′-Bis(diphenylphosphino)diaminophenylphosphine Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions","Organometallics","2011","30","5","935","","10.1021/om100912y","","x-ray","0.71074","MoKα","","0.0625","0.0404","","","0.091","0.1032","","","","","","1.028","","","","has coordinates,has disorder","178532","2020-10-21","18:00:00",""
"4063759","12.202","0.002","10.882","0.002","29.912","0.006","90","","90","","90","","3971.8","1.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O3 P V -","- C20 H24 N2 O3 P V -","- C160 H192 N16 O24 P8 V8 -","8","1","","Graham, Todd W.; Udachin, Konstantin A.; Zgierski, Marek Z.; Carty, Arthur J.","Synthesis and Structural Characterization of the First Thermally Stable, Neutral, and Electrophilic Phosphinidene Complexes of Vanadium","Organometallics","2011","30","6","1382","","10.1021/om100915v","","","0.7107","MoKα","","0.0517","0.0492","","","0.1071","0.108","","","","","","1.21","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063794","16.3424","0.0002","15.5018","0.0002","21.9422","0.0003","90","","90","","90","","5558.76","0.12","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H39 Fe P -","- C34 H39 Fe P -","- C272 H312 Fe8 P8 -","8","1","","Voss, Tanja; Sortais, Jean-Baptiste; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Alkene Addition of Frustrated P/B and N/B Lewis Pairs at the [3]Ferrocenophane Framework","Organometallics","2011","30","3","584","","10.1021/om100949k","","","0.71073","MoKα","","0.0778","0.0481","","","0.1184","0.1324","","","","","","1.034","","","","has coordinates","178532","2020-10-21","18:00:00",""
"4063822","8.5493","0.001","17.5673","0.0016","35.282","0.003","90","","90","","90","","5298.9","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H39 Cr N2 -","- C30 H39 Cr N2 -","- C240 H312 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0529","0.0369","","","0.0895","0.0968","","","","","","1.035","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063823","10.661","0.0011","19.481","0.0018","24.251","0.003","90","","90","","90","","5036.6","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 Cr N2 -","- C29 H37 Cr N2 -","- C232 H296 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.052","0.0361","","","0.0929","0.1038","","","","","","1.036","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063827","10.5875","0.0018","19.271","0.003","24.113","0.004","90","","90","","90","","4919.8","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H34 Cl Cr N2 -","- C28 H34 Cl Cr N2 -","- C224 H272 Cl8 Cr8 N16 -","8","1","","Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.","Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes","Organometallics","2011","30","3","603","","10.1021/om100961f","","","0.71073","MoKα","","0.0376","0.03","","","0.0772","0.0833","","","","","","1.065","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063831","18.837","0.003","12.872","0.002","38.991","0.006","90","","90","","90","","9454","3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 N2 O Si3 Y -","- C42 H77 N2 O Si3 Y -","- C336 H616 N16 O8 Si24 Y8 -","8","1","","Du, Gaixia; Wei, Yanling; Ai, Lin; Chen, Yuanyuan; Xu, Qi; Liu, Xiao; Zhang, Shaowen; Hou, Zhaomin; Li, Xiaofang","Living 3,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Complexes Bearing Iminoamido Ligands","Organometallics","2011","30","1","160","","10.1021/om100971d","","","0.71073","MoKα","","0.087","0.0693","","","0.1743","0.1816","","","","","","1.164","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063839","8.497","0.0017","26.976","0.005","41.646","0.008","90","","90","","90","","9546","3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ge2Si3Mes6","","- C54 H66 Ge2 Si3 -","- C54 H66 Ge2 Si3 -","- C432 H528 Ge16 Si24 -","8","1","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.0804","0.0617","","","0.1314","0.1417","","","","","","1.13","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063840","8.551","0.0017","27.169","0.005","42.266","0.009","90","","90","","90","","9819","3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Sn2Si3Mes6","","- C54 H66 Si3 Sn2 -","- C54 H66 Si3 Sn2 -","- C432 H528 Si24 Sn16 -","8","1","","Nied, Dominik; Oña-Burgos, Pascual; Klopper, Wim; Breher, Frank","Tuning the Gap: Electronic Properties and Radical-Type Reactivities of Heteronuclear [1.1.1]Propellanes of Heavier Group 14 Elements","Organometallics","2011","30","6","1419","","10.1021/om100977z","","","0.71073","MoKα","","0.1288","0.1035","","","0.1722","0.1852","","","","","","1.138","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063847","11.3349","0.0003","14.784","0.0004","15.3145","0.0004","90","","90","","90","","2566.33","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl Ir O3 P2 -","- C25 H36 Cl Ir O3 P2 -","- C100 H144 Cl4 Ir4 O12 P8 -","4","0.5","","Obenhuber, Andreas; Ruhland, Klaus","Activation of a Nonstrained C(sp2)−C(sp2) Single Bond in a Vaska Complex Analogue Using Chelating Assistance","Organometallics","2011","30","1","171","","10.1021/om100985r","","","0.71073","MoKα","","0.0419","0.038","","","0.0783","0.0807","","","","","","1.173","","","","has coordinates,has disorder","178533","2020-10-21","18:00:00",""
"4063907","14.0159","0.0001","17.3425","0.0002","23.5717","0.0002","90","","90","","90","","5729.59","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N2 O8 P Ru3 -","- C26 H19 N2 O8 P Ru3 -","- C208 H152 N16 O64 P8 Ru24 -","8","1","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Kennedy, Alan R.; Pérez-Carreño, Enrique","Reactivity of [Ru3(CO)12] with a Phosphine-Functionalized Imidazol-2-ylidene and Its Imidazolium Salt","Organometallics","2011","30","4","826","","10.1021/om101021s","","","1.54184","CuKα","","0.0246","0.0242","","","0.0631","0.0634","","","","","","1.096","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063921","16.5644","0.001","17.784","0.001","25.9283","0.0015","90","","90","","90","","7638","0.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H37 Al Cl4 Mo O3 P2 -","- C34 H37 Al Cl4 Mo O3 P2 -","- C272 H296 Al8 Cl32 Mo8 O24 P16 -","8","1","","Rajagopalan, Rakesh A.; Sterenberg, Brian T.","Formation and Reactivity of a Transient Cationic Alkyl Phosphinidene Complex","Organometallics","2011","30","11","2933","","10.1021/om101025c","","","0.71073","MoKα","","0.0309","0.027","","","0.0714","0.0752","","","","","","1.043","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4063947","13.7923","0.0004","21.4354","0.0008","24.0185","0.001","90","","90","","90","","7100.9","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H44 Au B F4 N4 -","- C35 H44 Au B F4 N4 -","- C280 H352 Au8 B8 F32 N32 -","8","1","","Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Bertolasi, Valerio","Synthesis and Mechanism of Formation of Novel NHC−NAC Bis-Carbene Complexes of Gold(I)","Organometallics","2011","30","4","875","","10.1021/om101057q","","","0.71073","MoKα","","0.0862","0.0448","","","0.0942","0.1051","","","","","","1.035","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064019","9.1044","0.0004","19.8146","0.0008","28.191","0.0011","90","","90","","90","","5085.7","0.4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H24 B F3 N O4 P S -","- C25 H24 B F3 N O4 P S -","- C200 H192 B8 F24 N8 O32 P8 S8 -","8","1","","Marwitz, Adam J. V.; Jenkins, Jesse T.; Zakharov, Lev N.; Liu, Shih-Yuan","Cationic 1,2-Azaborine Adducts of Trimethylphosphine, Triphenylphosphine oxide, and Pyridine-N-oxide.","Organometallics","2011","30","1","52","54","10.1021/om101083p","","","0.71073","MoKα","","0.055","0.045","","","0.1094","0.1169","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064021","14.218","0.007","15.612","0.008","19.372","0.01","90","","90","","90","","4300","4","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H25 Cl2 N2 S Ta -","- C22 H25 Cl2 N2 S Ta -","- C176 H200 Cl16 N16 S8 Ta8 -","8","1","","Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José","Tantalum Complexes Containing a Tridentate [NSN]-Type Ligand: Unusual Reactivity of a Dihydride Complex with an Isocyanide to Give an Azatantallaziridine Moiety","Organometallics","2011","30","6","1551","","10.1021/om101086c","","","0.71073","MoKα","","0.126","0.0595","","","0.1263","0.1611","","","","","","0.972","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064085","19.7902","0.001","16.1809","0.0007","23.1204","0.0008","90","","90","","90","","7403.7","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N3 Ru2 -","- C37 H55 N3 Ru2 -","- C296 H440 N24 Ru16 -","8","1","","Takemoto, Shin; Kobayashi, Tomoharu; Ito, Takahiro; Inui, Akira; Karitani, Kenji; Katagiri, Sayuri; Masuhara, Yusaku; Matsuzaka, Hiroyuki","Synthesis and Reactivity of Coordinatively Unsaturated Dinuclear Ruthenium Bridging Imido Complexes","Organometallics","2011","30","8","2160","","10.1021/om1011227","","","0.71075","MoKα","","0.054","0.0365","","","0.0919","0.0983","","","","","","0.963","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064107","16.8303","0.0001","13.6258","0.0001","34.772","0.0003","90","","90","","90","","7974.13","0.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H14 N4 O18 Ru6 -","- C28 H14 N4 O18 Ru6 -","- C224 H112 N32 O144 Ru48 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Pruneda, Vanessa","Reactivity of Cationic Triruthenium Carbonyl Clusters: From Pyrimidinium Ligands to N-Heterocyclic Carbenes","Organometallics","2011","30","5","1148","","10.1021/om101130g","","","1.5418","CuKα","","0.0409","0.0342","","","0.0938","0.0978","","","","","","1.055","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064124","16.3458","0.0002","16.3996","0.0002","34.2389","0.0005","90","","90","","90","","9178.2","0.2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H62 Cl4 N2 Ru S -","- C47 H62 Cl4 N2 Ru S -","- C376 H496 Cl32 N16 Ru8 S8 -","8","1","","Aharoni, Anna; Vidavsky, Yuval; Diesendruck, Charles E.; Ben-Asuly, Amos; Goldberg, Israel; Lemcoff, N. Gabriel","Ligand Isomerization in Sulfur-Chelated Ruthenium Benzylidenes","Organometallics","2011","30","6","1607","","10.1021/om1011402","","","0.71073","MoKα","","0.0855","0.0506","","","0.1224","0.1401","","","","","","1.042","","","","has coordinates,has disorder","178535","2020-10-21","18:00:00",""
"4064131","12.3938","0.0007","18.4376","0.001","22.1958","0.0013","90","","90","","90","","5072","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H30 B Cl N4 Ru -","- C28 H30 B Cl N4 Ru -","- C224 H240 B8 Cl8 N32 Ru8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Cerquetella, Adele; Pettinari, Riccardo; Monari, Magda; Mac Leod, Tatiana C. O.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Coordination Chemistry of the (η6-p-Cymene)ruthenium(II) Fragment with Bis-, Tris-, and Tetrakis(pyrazol-1-yl)borate Ligands: Synthesis, Structural, Electrochemical, and Catalytic Diastereoselective Nitroaldol Reaction Studies","Organometallics","2011","30","6","1616","","10.1021/om101146q","","","0.71073","MoKα","","0.0442","0.0301","","","0.0757","0.083","","","","","","1.018","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064142","16.8737","0.0003","14.6964","0.0006","22.3909","0.0007","90","","90","","90","","5552.6","0.3","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H36 F6 N3 O P Ru -","- C25 H36 F6 N3 O P Ru -","- C200 H288 F48 N24 O8 P8 Ru8 -","8","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Mechanistic Investigation of the Hydrogenation of Ketones Catalyzed by a Ruthenium(II) Complex Featuring an N-Heterocyclic Carbene with a Tethered Primary Amine Donor: Evidence for an Inner Sphere Mechanism","Organometallics","2011","30","5","1236","","10.1021/om101152m","","","0.71073","MoKα","","0.1118","0.0568","","","0.1403","0.18","","","","","","1.038","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064171","12.1789","0.0002","14.3304","0.0002","27.4288","0.0005","90","","90","","90","","4787.11","0.14","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Cp*Ti(MeDIPA){OC(O)N(NMe2)C(O)O}","","- C22 H38 N4 O4 Ti -","- C22 H38 N4 O4 Ti -","- C176 H304 N32 O32 Ti8 -","8","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0812","0.0549","","0.072","0.0558","0.0531","","","","","","1.1222","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064202","16.773","0.0005","17.4538","0.0005","25.4024","0.001","90","","90","","90","","7436.6","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C36 H54 In P3 Pd -","- C36 H54 In P3 Pd -","- C288 H432 In8 P24 Pd8 -","8","1","","Derrah, Eric J.; Sircoglou, Marie; Mercy, Maxime; Ladeira, Sonia; Bouhadir, Ghenwa; Miqueu, Karinne; Maron, Laurent; Bourissou, Didier","Original Transition Metal→Indium Interactions upon Coordination of a Triphosphine−Indane","Organometallics","2011","30","4","657","","10.1021/om1011769","","x-ray","0.71073","MoKα","","0.091","0.0438","","","0.1067","0.139","","","","","","0.895","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064290","13.1414","0.0009","18.0238","0.0013","18.1292","0.0013","90","","90","","90","","4294","0.5","208","2","208","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Br F11 Ir O2 -","- C18 H15 Br F11 Ir O2 -","- C144 H120 Br8 F88 Ir8 O16 -","8","1","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","Unexpected Synthesis of a Perfluoroacyl Complex, Cp*Ir(CO)(COC6F11)Br, by Direct Fluoroalkylation of a CO Ligand, and Elimination of Perfluorocyclohexene by Activation of a γ-C−F Bond","Organometallics","2011","30","6","1744","","10.1021/om200019d","","","0.71073","MoKα","","0.0264","0.0212","","","0.0534","0.0571","","","","","","1.043","","","","has coordinates","178536","2020-10-21","18:00:00",""
"4064331","12.8071","0.0003","16.2825","0.0003","19.7307","0.0004","90","","90","","90","","4114.47","0.15","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cl O2 P -","- C26 H20 Cl O2 P -","- C208 H160 Cl8 O16 P8 -","8","1","","Selent, Detlef; Franke, Robert; Kubis, Christoph; Spannenberg, Anke; Baumann, Wolfgang; Kreidler, Burkard; Börner, Armin","A New Diphosphite Promoting Highly Regioselective Rhodium-Catalyzed Hydroformylation","Organometallics","2011","30","17","4509","","10.1021/om2000508","","","0.71073","MoKα","","0.0415","0.0321","","","0.0865","0.0892","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064390","17.3751","0.0011","19.2388","0.0013","23.6101","0.0015","90","","90","","90","","7892.3","0.9","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H32 Cl4 Fe O5 P2 -","- C42 H32 Cl4 Fe O5 P2 -","- C336 H256 Cl32 Fe8 O40 P16 -","8","1","","Ringenberg, Mark R.; Gray, Danielle L.; Rauchfuss, Thomas B.","Oxidative Addition of a Diphosphine Anhydride to Iron(0) and Nickel(0): A Simple Approach to Installing Four Ligands","Organometallics","2011","30","10","2885","","10.1021/om200073k","","","0.71073","MoKα","","0.0959","0.0462","","","0.0887","0.1068","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4064411","17.1089","0.0007","18.8373","0.0006","23.2591","0.0009","90","","90","","90","","7496.1","0.5","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Cl N4 Ni -","- C42 H48 Cl N4 Ni -","- C336 H384 Cl8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.1085","0.0506","","","0.0936","0.1088","","","","","","1.02","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064412","17.2771","0.0003","18.782","0.0003","23.4238","0.0005","90","","90","","90","","7601","0.2","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Br N4 Ni -","- C42 H48 Br N4 Ni -","- C336 H384 Br8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.1301","0.0594","","","0.13","0.1595","","","","","","1.02","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064413","17.7237","0.0002","18.561","0.0002","23.7208","0.0004","90","","90","","90","","7803.42","0.18","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Cl0.13 I N4 Ni -","- C42 H48 Cl0.13 I N4 Ni -","- C336 H384 Cl1.04 I8 N32 Ni8 -","8","1","","Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis","N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis.","Organometallics","2011","30","9","2546","2552","10.1021/om200090d","","","0.71073","MoKα","","0.0752","0.0425","","","0.0852","0.0944","","","","","","1.032","","","","has coordinates","178538","2020-10-21","18:00:00",""
"4064631","14.749","0.004","8.9958","0.0005","31.0271","0.0019","90","","90","","90","","4116.6","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Mo O P2 -","- C20 H28 Mo O P2 -","- C160 H224 Mo8 O8 P16 -","8","1","","Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W.","Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*)","Organometallics","2011","30","14","3763","","10.1021/om200229c","","","0.71073","MoKα","","0.094","0.0685","","","0.1339","0.1417","","","","","","1.173","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064644","9.9609","0.0003","19.8662","0.0006","32.3238","0.001","90","","90","","90","","6396.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C66 H4 N2 O -","- C66 H4 N2 O -","- C528 H32 N16 O8 -","8","1","","Ramírez-Monroy, Armando; Swager, Timothy M.","Metal Chelates Based on Isoxazoline[60]fullerenes","Organometallics","2011","30","9","2464","","10.1021/om200238a","","","1.54178","CuKα","","0.0696","0.0524","","","0.1333","0.1459","","","","","","1.039","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064649","15.9497","0.0006","15.6097","0.0008","19.1905","0.0009","90","","90","","90","","4777.9","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22.77 H27.31 Cl2.23 Cr N2 O P -","- C22.77 H27.31 Cl2.23 Cr N2 O P -","- C182.16 H218.48 Cl17.84 Cr8 N16 O8 P8 -","8","1","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","x-ray","0.71073","MoKα","","0.1182","0.0681","","","0.1475","0.1628","","","","","","1.042","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064653","15.9451","0.0013","15.6017","0.0014","19.1856","0.0018","90","","90","","90","","4772.8","0.7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22.5 H26.5 Cl2.5 Cr N2 O P -","- C22.5 H26.5 Cl2.5 Cr N2 O P -","- C180 H212 Cl20 Cr8 N16 O8 P8 -","8","1","","Liu, Shaofeng; Pattacini, Roberto; Braunstein, Pierre","Reactions between an Ethylene Oligomerization Chromium(III) Precatalyst and Aluminum-Based Activators: Alkyl and Cationic Complexes with a Tridentate NPN Ligand","Organometallics","2011","30","13","3549","","10.1021/om200243a","","","0.71073","MoKα","","0.1409","0.1117","","","0.2388","0.255","","","","","","1.129","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064669","28.281","0.017","14.886","0.011","30.24","0.02","90","","90","","90","","12731","15","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H30 F6 N5 O2 P Pt -","- C30 H30 F6 N5 O2 P Pt -","- C480 H480 F96 N80 O32 P16 Pt16 -","16","2","","Lee, Chen-Shiang; Zhuang, Rui Rui; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.","Size-Selective Vapochromic Platinum(II) Complex with a Sterically Demanding Pincer-Type N-Heterocyclic Carbene Ligand","Organometallics","2011","30","14","3897","","10.1021/om200253f","","","0.71073","MoKα","","0.1648","0.0573","","","0.1021","0.1315","","","","","","1.038","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064687","17.8331","0.0012","19.8924","0.0014","21.1648","0.0014","90","","90","","90","","7508.1","0.9","293","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl Ir N3 O2 -","- C40 H51 Cl Ir N3 O2 -","- C320 H408 Cl8 Ir8 N24 O16 -","8","1","","Bouffard, Jean; Keitz, Benjamin K.; Tonner, Ralf; Lavallo, Vincent; Guisado-Barrios, Gregorio; Frenking, Gernot; Grubbs, Robert H.; Bertrand, Guy","Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis.","Organometallics","2011","30","9","2617","2627","10.1021/om200272m","","","0.71073","MoKα","","0.0474","0.0286","","","0.0615","0.0692","","","","","","1.008","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064720","13.5738","0.0006","19.363","0.0007","19.8907","0.0006","90","","90","","90","","5227.9","0.3","173.1","","173.1","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Cl3 P2 Ru Zr -","- C23 H33 Cl3 P2 Ru Zr -","- C184 H264 Cl24 P16 Ru8 Zr8 -","8","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Propargylic Substitution Reaction Catalyzed by Group IV (Ti, Zr, Hf)‒Ru Heterobimetallic Complexes","Organometallics","2011","30","11","3194","","10.1021/om200292p","","","0.71075","MoKα","","","0.0488","","","","0.1328","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064767","18.5135","0.0016","20.2977","0.0018","21.02","0.0018","90","","90","","90","","7898.9","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H64 Mg N2 O3 -","- C40 H64 Mg N2 O3 -","- C320 H512 Mg8 N16 O24 -","8","1","","Gao, Jing; Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Sui, Yunxia","Syntheses and Structures of Magnesium Complexes with Reduced α-Diimine Ligands","Organometallics","2011","30","22","6071","","10.1021/om2003199","","","0.71073","MoKα","","0.1424","0.0653","","","0.1765","0.2283","","","","","","1.004","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064803","18.607","0.006","22.826","0.006","17.401","0.005","90","","90","","90","","7391","4","200","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H42 P2 Pt S2 -","- C42 H42 P2 Pt S2 -","- C336 H336 P16 Pt8 S16 -","8","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71069","MoKα","","","0.0284","","","","0.0795","","","","","","0.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064805","16.503","0.002","16.256","0.002","32.14","0.004","90","","90","","90","","8622.3","1.8","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44.5 H47 Cl P2 Pt S2 -","- C44.5 H47 Cl P2 Pt S2 -","- C356 H376 Cl8 P16 Pt8 S16 -","8","1","","Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro","Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor","Organometallics","2011","30","19","5110","","10.1021/om200345h","","","0.71075","MoKα","","","0.051","","","","0.1569","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064853","23.7464","0.0013","7.0753","0.0005","29.415","0.002","90","","90","","90","","4942.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30.65 H21.3 Cl1.3 N2 O3 Ru -","- C30.65 H21.3 Cl1.3 N2 O3 Ru -","- C245.2 H170.4 Cl10.4 N16 O24 Ru8 -","8","1","","Blanck, Sebastian; Cruchter, Thomas; Vultur, Adina; Riedel, Radostan; Harms, Klaus; Herlyn, Meenhard; Meggers, Eric","Organometallic Pyridylnaphthalimide Complexes as Protein Kinase Inhibitors.","Organometallics","2011","30","17","4598","4606","10.1021/om200366r","","","0.71073","MoKα","","0.1461","0.053","","","0.0981","0.121","","","","","","0.848","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064938","13.542","0.0002","14.3778","0.0004","21.6766","0.0007","90","","90","","90","","4220.52","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H39 N O Os P2 -","- C17 H39 N O Os P2 -","- C136 H312 N8 O8 Os8 P16 -","8","1","","Bertoli, Marcello; Choualeb, Aldjia; Lough, Alan J.; Moore, Brandon; Spasyuk, Denis; Gusev, Dmitry G.","Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols","Organometallics","2011","30","13","3479","","10.1021/om200437n","","","0.71073","MoKα","","0.0722","0.0431","","","0.1004","0.116","","","","","","1.03","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064998","19.477","0.002","24.103","0.002","31.649","0.004","90","","90","","90","","14858","3","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C88 H83 Fe Mo P4 -","- C88 H83 Fe Mo P4 -","- C704 H664 Fe8 Mo8 P32 -","8","1","","Fitzgerald, Emma C.; Ladjarafi, Abdelkader; Brown, Neil J.; Collison, David; Costuas, Karine; Edge, Ruth; Halet, Jean-François; Justaud, Frédéric; Low, Paul J.; Meghezzi, Hacène; Roisnel, Thierry; Whiteley, Mark W.; Lapinte, Claude","Spectroscopic Evidence for Redox Isomerism in the 1,4-Diethynylbenzene-Bridged Heterobimetallic Cation [{Fe(dppe)Cp*}(μ-C≡CC6H4C≡C){Mo(dppe)(η-C7H7)}]PF6","Organometallics","2011","30","15","4180","","10.1021/om200488b","","x-ray","0.71073","MoKα","","0.1337","0.0896","","","0.2164","0.245","","","","","","1.093","","","","has coordinates,has disorder","178543","2020-10-21","18:00:00",""
"4065026","9.9525","0.0008","18.2899","0.0015","24.385","0.0019","90","","90","","90","","4438.8","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H40 B20 Ni P2 S2 -","- C28 H40 B20 Ni P2 S2 -","- C112 H160 B80 Ni4 P8 S8 -","4","0.5","","Hu, Ping; Yao, Zi-Jian; Wang, Jian-Qiang; Jin, Guo-Xin","Synthesis, Structure, and Olefin Polymerization Behavior of Nickel Complexes with Carborane [S,C] or [S,S] Ligands","Organometallics","2011","30","18","4935","","10.1021/om200516b","","","0.71073","MoKα","","0.0663","0.0587","","","0.1508","0.154","","","","","","1.24","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065056","12.4585","0.0002","16.9795","0.0002","24.1574","0.0003","90","","90","","90","","5110.23","0.12","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H24 F6 P2 Ru -","- C27 H24 F6 P2 Ru -","- C216 H192 F48 P16 Ru8 -","8","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.0623","0.0378","","","0.0777","0.0892","","","","","","1.025","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065157","17.948","0.004","26.404","0.005","42.901","0.009","90","","90","","90","","20331","7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H86 N4 Si3 W -","- C41 H86 N4 Si3 W -","- C656 H1376 N64 Si48 W16 -","16","2","","Schafer, Daniel F.; Wolczanski, Peter T.; Lobkovsky, Emil B.","Reactivity Studies of (tBu3SiNH)(tBu3SiN═)2WH Including Anionic Derivatives Featuring the Tris-tri-tert-butylsilylimide Tungsten Core","Organometallics","2011","30","24","6539","","10.1021/om200597z","","","0.91","","","0.0674","0.0651","","0.1919","0.1861","","","","1.006","1.012","1.012","","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065164","18.145","0.006","15.033","0.005","19.006","0.006","90","","90","","90","","5184","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H39 Au Cl N O -","- C26 H39 Au Cl N O -","- C208 H312 Au8 Cl8 N8 O8 -","8","1","","Seo, Hwimin; Snead, David R.; Abboud, Khalil A.; Hong, Sukwon","Bulky Acyclic Aminooxycarbene Ligands","Organometallics","2011","30","21","5725","","10.1021/om200602k","","","0.71073","MoKα","","0.0331","0.0251","","","0.0658","0.0694","","","","","","1.156","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065235","13.4171","0.001","17.3604","0.0013","18.4117","0.0014","90","","90","","90","","4288.6","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20.93 H26 Cl2 N2 O3.07 Ru -","- C20.927 H26 Cl2 N2 O3.073 Ru -","- C167.416 H208 Cl16 N16 O24.584 Ru8 -","8","1","","Nieto, Ismael; Livings, Michelle S.; Sacci, John B.; Reuther, Lauren E.; Zeller, Matthias; Papish, Elizabeth T.","Transfer Hydrogenation in Water via a Ruthenium Catalyst with OH Groups near the Metal Center on a bipy Scaffold","Organometallics","2011","30","23","6339","","10.1021/om200638p","","","0.71073","MoKα","","0.0282","0.0238","","","0.057","0.0601","","","","","","1.051","","","","has coordinates,has disorder","178545","2020-10-21","18:00:00",""
"4065236","13.3184","0.0014","17.9962","0.0019","18.417","0.002","90","","90","","90","","4414.2","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Cl2 N2 O2 Ru -","- C22 H26 Cl2 N2 O2 Ru -","- C176 H208 Cl16 N16 O16 Ru8 -","8","1","","Nieto, Ismael; Livings, Michelle S.; Sacci, John B.; Reuther, Lauren E.; Zeller, Matthias; Papish, Elizabeth T.","Transfer Hydrogenation in Water via a Ruthenium Catalyst with OH Groups near the Metal Center on a bipy Scaffold","Organometallics","2011","30","23","6339","","10.1021/om200638p","","","0.71073","MoKα","","0.0337","0.0266","","","0.0629","0.067","","","","","","1.029","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065279","15.9215","0.0002","16.2335","0.0002","28.9629","0.0003","90","","90","","90","","7485.8","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H28 Al N Si2 -","- C14 H28 Al N Si2 -","- C224 H448 Al16 N16 Si32 -","16","2","","Breit, Nora C.; Ancelet, Travis; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","Synthesis of Intramolecularly Coordinated Aluminum and Gallium Compounds for the Preparation of [1]Ferrocenophanes","Organometallics","2011","30","22","6150","","10.1021/om200680d","","","0.71073","MoKα","","0.0777","0.0502","","","0.097","0.1062","","","","","","1.089","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065302","13.8992","0.0016","14.8869","0.0017","16.4172","0.0019","90","","90","","90","","3397","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 B N2 P -","- C16 H24 B N2 P -","- C128 H192 B8 N16 P8 -","8","1","","MacInnis, Morgan C.; McDonald, Robert; Turculet, Laura","Synthesis and Characterization of Palladium Complexes Supported by an NPN-Phosphido Ancillary Ligand","Organometallics","2011","30","23","6408","","10.1021/om200701h","","","0.71073","MoKα","","0.0966","0.0574","","","0.1311","0.155","","","","","","1.012","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065372","22.5271","0.0003","29.5173","0.0004","35.9883","0.0005","90","","90","","90","","23930","0.6","89","2","89","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H133 Br Li6 O49 Sb12 -","- C84 H84 Br0.976 Li5.2 O46.319 Sb12 -","- C672 H672 Br7.808 Li41.6 O370.552 Sb96 -","8","1","","Nicholson, Brian K.; Clark, Christopher J.; Wright, Cody E.; Telfer, Shane G.; Groutso, Tania","New Sb12and Sb14Polyoxometalate Frameworks Derived from Arylstibonic Acids: [LiH3(p-MeC6H4Sb)12O28]4‒and [BaH10(p-MeC6H4Sb)14O34]","Organometallics","2011","30","24","6612","","10.1021/om200739a","","","0.71073","MoKα","","0.0907","0.0512","","","0.1145","0.1386","","","","","","1.062","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065400","14.383","0.003","14.605","0.003","20.451","0.004","90","","90","","90","","4296","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 N Zr -","- C17 H25 B10 N Zr -","- C136 H200 B80 N8 Zr8 -","8","1","","Ren, Shikuo; Xie, Zuowei","Reaction of a Zirconocene‒Carboryne Complex with Pyridines: Ligand C‒H Activation","Organometallics","2011","30","21","5953","","10.1021/om200772q","","","0.71073","MoKα","","0.0996","0.0405","","","0.0968","0.1342","","","","","","1.036","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065418","13.8","0.002","11.815","0.002","26.418","0.004","90","","90","","90","","4307.4","1.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[(3,3-diethoxypropylbenzene)RuCl2(pta)]","","","- C19 H32 Cl2 N3 O2 P Ru -","- C19 H32 Cl2 N3 O2 P Ru -","- C152 H256 Cl16 N24 O16 P8 Ru8 -","8","1","","Tan, Yu Qian; Dyson, Paul J.; Ang, Wee Han","Acetal-Functionalized RAPTA Complexes for Conjugation and Labeling","Organometallics","2011","30","21","5965","","10.1021/om200783r","","x-ray","0.71073","MoKα","","0.0502","0.0423","","","0.0896","0.092","","","","","","1.218","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065419","14.457","0.005","16.321","0.006","17.358","0.007","90","","90","","90","","4096","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl0 Mo N6 O4 -","- C20 H14 Mo N6 O4 -","- C160 H112 Mo8 N48 O32 -","8","1","","Bulak, Ece; Varnali, Tereza; Schwederski, Brigitte; Bubrin, Denis; Fiedler, Jan; Kaim, Wolfgang","Separation of Metal Binding and Electron Transfer Sites as a Strategy To Stabilize the Ligand-Reduced and Metal-Oxidized Form of [Mo(CO)4L]","Organometallics","2011","30","23","6441","","10.1021/om2007858","","","0.71073","MoKα","","0.105","0.0464","","","0.0918","0.1005","","","","","","0.697","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065421","13.8435","0.0007","18.9577","0.0009","40.02","0.002","90","","90","","90","","10502.9","0.9","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C55 H86 Li2 N2 O5 -","- C55 H86 Li2 N2 O5 -","- C440 H688 Li16 N16 O40 -","8","1","","Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François","Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide","Organometallics","2011","30","20","5509","","10.1021/om200786u","","x-ray","0.71073","MoKα","","0.1657","0.0886","","","0.2188","0.2657","","","","","","1.043","","","","has coordinates,has disorder","178547","2020-10-21","18:00:00",""
"4065438","17.831","0.0008","14.923","0.0007","18.082","0.0008","90","","90","","90","","4811.5","0.4","138","2","138","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H36 F3 O3 P Ru S -","- C20 H36 F3 O3 P Ru S -","- C160 H288 F24 O24 P8 Ru8 S8 -","8","1","","Fasulo, Meg E.; Glaser, Paul B.; Tilley, T. Don","Cp*(PiPr3)RuOTf: A Reagent for Access to Ruthenium Silylene Complexes","Organometallics","2011","30","20","5524","","10.1021/om200795x","","","0.71073","MoKα","","0.0597","0.0345","","","0.0689","0.0767","","","","","","1.02","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065449","16.545","0.006","24.021","0.009","25.028","0.009","90","","90","","90","","9947","6","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H62 F3 N4 O3 P2 Pd2 S -","- C48 H62 F3 N4 O3 P2 Pd2 S -","- C384 H496 F24 N32 O24 P16 Pd16 S8 -","8","1","","Herbert, David E.; Ozerov, Oleg V.","Binuclear Palladium Complexes Supported by Bridged Pincer Ligands","Organometallics","2011","30","24","6641","","10.1021/om2008056","","","0.71073","MoKα","","0.0903","0.0469","","","0.0936","0.1118","","","","","","1.02","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065473","9.4982","0.0006","16.2862","0.0009","24.839","0.003","90","","90","","90","","3842.3","0.6","100","2","100","2","","","","","","","tetrahydrofuran","6","P b c a","-P 2ac 2ab","61","","N,N'-3,7-diallyl-3,7-diaza-bicyclo[3.3.1]nonane(N,N'-Diallyl-bispidine)- hapto-3-allyl-palladium(II) hexafluorophosphate","","- C16 H27 F6 N2 P Pd -","- C16 H27 F6 N2 P Pd -","- C128 H216 F48 N16 P8 Pd8 -","8","1","","Cui, Huiling; Goddard, Richard; Pörschke, Klaus-Richard","Synthesis and Coordination Chemistry ofN,N-Diallylbispidine","Organometallics","2011","30","22","6241","","10.1021/om200824c","","","0.71073","MoKα","","0.0365","0.0293","","","0.0638","0.0681","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4065587","14.6191","0.0003","17.5119","0.0004","15.7302","0.0003","90","","90","","90","","4027.06","0.15","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis(ε^5^-cyclopentdienyl)rheniumbismuthbis(1,1,1,3,3,3- hexafluoro-2-propanolate)","","- C16 H12 Bi F12 O2 Re -","- C16 H12 Bi F12 O2 Re -","- C128 H96 Bi8 F96 O16 Re8 -","8","1","","Schiwon, Rafael; Knispel, Christina; Limberg, Christian","Heterometallic Complexes with Re−Bi Metal Bonds","Organometallics","2010","29","7","1670","","10.1021/om100011r","","","0.71073","MoKα","","0.0437","0.0341","","","0.0767","0.08","","","","","","1.023","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065617","12.8514","0.001","13.9753","0.0011","16.3838","0.0013","90","","90","","90","","2942.6","0.4","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 F10 I2 Ir2 -","- C24 H30 F10 I2 Ir2 -","- C96 H120 F40 I8 Ir8 -","4","0.5","","Yuan, Jian; Hughes, Russell P.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structural and Computational Studies of a Conformationally Locked (η1-Perfluoroalkylidene)(η2-alkene) Transition Metal Complex: Ir(Cp*)(CFCF3)(C2H4)","Organometallics","2010","29","8","1942","","10.1021/om1000343","","","0.71073","MoKα","","0.0314","0.0217","","","0.0501","0.0545","","","","","","0.991","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065641","9.5527","0.0002","18.179","0.0004","23.3617","0.0004","90","","90","","90","","4056.96","0.14","85","2","85","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-ethynyl-4'-(4-ethynyl-N-methyl-1,8-naphthalimide)biphenyl","","- C29 H17 N O2 -","- C29 H17 N O2 -","- C232 H136 N8 O16 -","8","1","","McAdam, C. John; Robinson, Brian H.; Simpson, Jim; Tagg, Tei","Ferrocenyl−Naphthalimide Donor−Acceptor Dyads with Aromatic Spacer Groups","Organometallics","2010","29","11","2474","","10.1021/om1000452","","","0.71073","MoKα","","0.0505","0.0411","","","0.1118","0.1179","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065643","7.6562","0.0003","21.018","0.0009","37.5754","0.0016","90","","90","","90","","6046.6","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1.C3H6O","","","- C39 H32 Au O P -","- C39 H32 Au O P -","- C312 H256 Au8 O8 P8 -","8","1","","Nguyen, Minh-Hai; Yip, John H. K.","Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation","Organometallics","2010","29","11","2422","","10.1021/om100046h","","","0.71073","MoKα","","0.0601","0.0476","","","0.1207","0.1302","","","","","","1.133","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065656","17.7138","0.0007","16.2752","0.0007","19.9105","0.0008","90","","90","","90","","5740.1","0.4","190","2","190","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H84 Mn2 N4 -","- C60 H84 Mn2 N4 -","- C240 H336 Mn8 N16 -","4","0.5","","Ni, Chengbao; Lei, Hao; Power, Philip P.","Reaction of M(II) Diaryls (M = Mn or Fe) with Ammonia to Afford Parent Amido Complexes","Organometallics","2010","29","8","1988","","10.1021/om1000502","","","0.71073","MoKα","","0.0545","0.035","","","0.0894","0.0961","","","","","","1.045","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065703","25.255","0.009","9.392","0.004","26.426","0.01","90","","90","","90","","6268","4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N Y -","- C34 H34 N Y -","- C272 H272 N8 Y8 -","8","1","","Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong","Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes","Organometallics","2010","29","9","2111","","10.1021/om100089a","","","0.71073","MoKα","","0.1901","0.0676","","","0.1207","0.1325","","","","","","0.913","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065704","25.065","0.007","9.369","0.003","26.26","0.008","90","","90","","90","","6167","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H34 N Yb -","- C34 H34 N Yb -","- C272 H272 N8 Yb8 -","8","1","","Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong","Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes","Organometallics","2010","29","9","2111","","10.1021/om100089a","","","0.71073","MoKα","","0.0804","0.0382","","","0.0821","0.0858","","","","","","1.005","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065708","27.581","0.01","8.893","0.003","33.879","0.013","90","","90","","90","","8310","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H28 Er N -","- C23 H28 Er N -","- C368 H448 Er16 N16 -","16","2","","Zhang, Zhengxing; Bu, Xiuli; Zhang, Jie; Liu, Ruiting; Zhou, Xigeng; Weng, Linhong","Insertion of Ketenimines into the Ln−C σ-Bond of Organolanthanides: A New Strategy for Synthesis of Lanthanide 1-Azaallyl Complexes","Organometallics","2010","29","9","2111","","10.1021/om100089a","","","0.71073","MoKα","","0.1664","0.0694","","","0.0849","0.0996","","","","","","0.892","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065723","18.9721","0.0012","14.9681","0.0009","21.0475","0.0013","90","","90","","90","","5977","0.6","186.5","0.2","186.5","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H41 Cl2 N2 O2 Si0 Y -","- C29 H41 Cl2 N2 O2 Y -","- C232 H328 Cl16 N16 O16 Y8 -","8","1","","Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan","β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene","Organometallics","2010","29","9","2186","","10.1021/om100100r","","","0.71073","MoKα","","0.0556","0.0328","","","0.0749","0.0843","","","","","","1.024","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065801","12.903","0.003","18.625","0.005","31.683","0.008","90","","90","","90","","7614","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H52 N2 O8 Se5 W -","- C28 H52 N2 O8 Se5 W -","- C224 H416 N16 O64 Se40 W8 -","8","1","","Chiu, Wai-Hang; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung","Addition of Dimethyl Acetylenedicarboxylate to the [WSe4]2−Anion","Organometallics","2010","29","11","2631","","10.1021/om100142d","","","0.71073","MoKα","","0.062","0.0585","","","0.0816","0.0918","","","","","","0.972","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065802","14.7872","0.001","17.6187","0.0012","34.699","0.002","90","","90","","90","","9040.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H59 N2 O12.5 Se4 W -","- C34 H59 N2 O12.5 Se4 W -","- C272 H472 N16 O100 Se32 W8 -","8","1","","Chiu, Wai-Hang; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung","Addition of Dimethyl Acetylenedicarboxylate to the [WSe4]2−Anion","Organometallics","2010","29","11","2631","","10.1021/om100142d","","","0.71073","MoKα","","0.0502","0.0396","","","0.1184","0.1246","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065816","11.2152","0.0002","12.4955","0.0002","34.8874","0.0006","90","","90","","90","","4889.1","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N2 O8 Ru3 -","- C19 H21 N2 O8 Ru3 -","- C152 H168 N16 O64 Ru24 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Vázquez-García, Digna","From Allenes to Edge-Bridging Allyl Ligands or Face-Capping Alkenyl Ligands on a Triruthenium Hydrido Carbonyl Cluster: An Experimental and DFT Computational Study†","Organometallics","2010","29","21","4818","","10.1021/om100148z","","","0.71073","MoKα","","0.0585","0.0337","","","0.0982","0.1355","","","","","","1.072","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065819","16.2809","0.0011","14.3063","0.0013","25.6018","0.0019","90","","90","","90","","5963.2","0.8","193.1","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Cl2 N Rh -","- C13 H22 Cl2 N Rh -","- C208 H352 Cl32 N16 Rh16 -","16","2","","Ito, Masato; Tejima, Noriko; Yamamura, Masahiro; Endo, Yoshinori; Ikariya, Takao","Synthesis and Structure of Protic Amine Tethered Rhodium(III) Peralkylcyclopentadienyl Complexes","Organometallics","2010","29","8","1886","","10.1021/om100151m","","","0.7107","MoKα","","","0.0273","","","","0.1504","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065844","19.341","0.004","18.414","0.004","39.322","0.008","90","","90","","90","","14004","5","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H108 Ba Ga2 N6 O2 -","- C66 H108 Ba Ga2 N6 O2 -","- C528 H864 Ba8 Ga16 N48 O16 -","8","1","","Bonello, Owen; Jones, Cameron; Stasch, Andreas; Woodul, William D.","Group 2 and 12 Metal Gallyl Complexes Containing Unsupported Ga−M Covalent Bonds (M = Mg, Ca, Sr, Ba, Zn, Cd)†","Organometallics","2010","29","21","4914","","10.1021/om1001606","","","0.71073","MoKα","","0.0537","0.0329","","","0.0747","0.0823","","","","","","1.065","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065873","13.85","0.004","11.311","0.003","26.322","0.007","90","","90","","90","","4124","2","193.1","","193","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H48 Cl4 F6 N2 O6 Rh2 S2 -","- C30 H48 Cl4 F6 N2 O6 Rh2 S2 -","- C120 H192 Cl16 F24 N8 O24 Rh8 S8 -","4","0.5","","Ito, Masato; Endo, Yoshinori; Tejima, Noriko; Ikariya, Takao","Bifunctional Triflylamide-Tethered Cp′Rh and Cp′Ir Complexes: A New Entry for Asymmetric Hydrogenation Catalysts","Organometallics","2010","29","11","2397","","10.1021/om1001809","","","0.7107","MoKα","","","0.0341","","","","0.0711","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065889","17.84","0.005","21.065","0.006","21.778","0.006","90","","90","","90","","8184","4","273","2","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H58 Cl2 N3 Nb -","- C41 H58 Cl2 N3 Nb -","- C328 H464 Cl16 N24 Nb8 -","8","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand.","Organometallics","2010","29","13","2926","2942","10.1021/om1001827","","","0.71073","MoKα","","0.056","0.0356","","","0.086","0.0931","","","","","","1.117","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065891","19.6487","0.0012","18.8868","0.0012","22.3644","0.0014","90","","90","","90","","8299.5","0.9","457","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H64 N5 Nb -","- C42 H64 N5 Nb -","- C336 H512 N40 Nb8 -","8","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand.","Organometallics","2010","29","13","2926","2942","10.1021/om1001827","","","0.71073","MoKα","","0.0521","0.0349","","","0.0862","0.0908","","","","","","1.382","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065929","16.2549","0.0018","22.0701","0.0015","19.2147","0.0018","90","","90","","90","","6893.2","1.1","109","2","109","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H84 As4 I2 O16 Pt -","- C52 H84 As4 I2 O16 Pt -","- C208 H336 As16 I8 O64 Pt4 -","4","0.5","","Arita, Manabu; Naka, Kensuke; Shimamoto, Tatsuo; Yumura, Takashi; Nakahashi, Akiko; Morisaki, Yasuhiro; Chujo, Yoshiki","1,4-Dihydro-1,4-diarsinine-Bridged Dinucleartrans-Dihaloplatinum(II) Complexes: Synthesis and Controlled Pt−Pt Interaction by Halogen Substitution Induced Conformational Change§","Organometallics","2010","29","21","4992","","10.1021/om100201x","","","0.71075","MoKα","","0.0621","0.0353","","","0.0601","0.0648","","","","","","0.973","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065947","12.856","0.0002","22.4052","0.0004","23.8151","0.0005","90","","90","","90","","6859.7","0.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H33 Cl2 O4.5 P2 Ru S4 -","- C25 H33 Cl2 O4.5 P2 Ru S4 -","- C200 H264 Cl16 O36 P16 Ru8 S32 -","8","1","","Wang, Xi-Ying; Li, Yan; Ma, Qing; Zhang, Qian-Feng","Ruthenium Complexes with Dithiophosphonates [Ar(RO)PS2]−and [Fc(RO)PS2]−(Ar =p-CH3OC6H4, Fc = Fe(η5-C5H4)(η5-C5H5))","Organometallics","2010","29","12","2752","","10.1021/om100209k","","","0.71073","MoKα","","0.0543","0.0397","","","0.07","0.1127","","","","","","1.045","","","","has coordinates","189765","2020-10-21","18:00:00",""
"4065950","8.322","0.0001","22.9333","0.0003","35.9063","0.0004","90","","90","","90","","6852.75","0.14","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H34 Cl2 Fe2 O P2 Ru S4 -","- C31 H34 Cl2 Fe2 O P2 Ru S4 -","- C248 H272 Cl16 Fe16 O8 P16 Ru8 S32 -","8","1","","Wang, Xi-Ying; Li, Yan; Ma, Qing; Zhang, Qian-Feng","Ruthenium Complexes with Dithiophosphonates [Ar(RO)PS2]−and [Fc(RO)PS2]−(Ar =p-CH3OC6H4, Fc = Fe(η5-C5H4)(η5-C5H5))","Organometallics","2010","29","12","2752","","10.1021/om100209k","","","0.71073","MoKα","","0.0421","0.0311","","","0.0667","0.0711","","","","","","1.023","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065988","20.998","0.005","17.398","0.005","23.026","0.005","90","0.005","90","0.005","90","0.005","8412","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H48 Cl2 N2 O4 Pd2 -","- C41 H48 Cl2 N2 O4 Pd2 -","- C328 H384 Cl16 N16 O32 Pd16 -","8","1","","Vázquez-García, Digna; Fernández, Alberto; López-Torres, Margarita; Rodríguez, Antonio; Gómez-Blanco, Nina; Viader, Carlos; Vila, José M.; Fernández, Jesús J.","Versatile Behavior of the Schiff Base Ligand 2,5-Me2C6H3C(H)═N(2,4,6-Me3C6H2) toward Cyclometalation Reactions: C(sp2,phenyl)−H vs C(sp3,methyl)−H Activation","Organometallics","2010","29","15","3303","","10.1021/om100238w","","","0.71073","MoKα","","0.098","0.0451","","","0.1168","0.1607","","","","","","1.066","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4066005","22.81","0.0015","24.5879","0.0016","27.1406","0.0018","90","","90","","90","","15221.8","1.7","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H98 Cu6 N4 O2 P4 Si4 -","- C72 H98 Cu6 N4 O2 P4 Si4 -","- C576 H784 Cu48 N32 O16 P32 Si32 -","8","1","","Ma, Guibin; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Rare, Hexatomic, Boat-Shaped, Cross-Linked Bis(iminodiphenylphosphorano)methanediide Pincer Carbon Bridged Photoluminescent Copper Clusters Capped with Methyl or Halide Bridges","Organometallics","2010","29","19","4251","","10.1021/om1002478","","","0.71073","MoKα","","0.041","0.0279","","","0.065","0.0709","","","","","","1.016","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066018","17.822","0.012","17.854","0.013","25.904","0.009","90","","90","","90","","8242","9","293.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45.5 H49 P3 Ru -","- C45.5 H45 P3 Ru -","- C364 H360 P24 Ru8 -","8","1","","Hirano, Masafumi; Togashi, Sayaka; Ito, Muneaki; Sakaguchi, Yuko; Komine, Nobuyuki; Komiya, Sanshiro","Carbon−Hydrogen Bond Cleavage Reaction in 5-Coordinate Bis(2,6-dimethylbenzenethiolato)ruthenium(II) Complexes","Organometallics","2010","29","14","3146","","10.1021/om100249s","","","0.71069","MoKα","","","0.0555","","","","0.206","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066048","13.0742","0.0002","21.2949","0.0004","27.0004","0.0005","90","","90","","90","","7517.3","0.2","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cl2 Cr Mn N O9 Si -","- C36 H36 Cl2 Cr Mn N O9 Si -","- C288 H288 Cl16 Cr8 Mn8 N8 O72 Si8 -","8","1","","Dubarle Offner, Julien; Schnakenburg, Gregor; Rose-Munch, Françoise; Rose, Eric; Dötz, Karl Heinz","Dibenzo[f,h]quinoline Cr(CO)3Complexes: Synthesis by Chromium-Templated Benzannulation, Cyclomanganation, and Haptotropic Chromium Migration","Organometallics","2010","29","15","3308","","10.1021/om100258c","","","0.71073","MoKα","","0.0615","0.0365","","","0.0955","0.1041","","","","","","1.008","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066096","10.785","0.007","9.856","0.006","25.027","0.016","90","","90","","90","","2660","3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N Se -","- C15 H15 N Se -","- C120 H120 N8 Se8 -","8","1","","Murai, Toshiaki; Hori, Rumi; Maruyama, Toshifumi; Shibahara, Fumitoshi","(Selenocarbamoyl)silanes and -germanes: Their Synthesis Using (Selenocarbamoyl)lithium and Characterization","Organometallics","2010","29","11","2400","","10.1021/om100290h","","","0.7107","MoKα","","0.051","0.0481","","","0.0954","0.0971","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4066118","8.9277","0.0007","17.0219","0.0014","36.188","0.003","90","","90","","90","","5499.4","0.8","100","2","100","2","","","","","","","synthetical product","4","P b c a","-P 2ac 2ab","61","2,6-dimesitylphenyldichloro(trimethylsilylethinyl)silane","","","- C29 H34 Cl2 Si2 -","- C29 H34 Cl2 Si2 -","- C232 H272 Cl16 Si16 -","8","1","","Spirk, Stefan; Belaj, Ferdinand; Albering, Jörg H.; Pietschnig, Rudolf","Formation of a Silylated 1-Silaallene via an Intermediate 1-Chloro-1-silaallene","Organometallics","2010","29","13","2981","","10.1021/om100299w","","","0.71073","MoKα","","0.0409","0.0311","","","0.0757","0.0813","","","","","","1.04","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066131","9.6651","0.0002","16.4871","0.0004","31.7377","0.0009","90","","90","","90","","5057.4","0.2","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H34 N2 Zr -","- C32 H34 N2 Zr -","- C256 H272 N16 Zr8 -","8","1","","Kaleta, Katharina; Arndt, Perdita; Beweries, Torsten; Spannenberg, Anke; Theilmann, Oliver; Rosenthal, Uwe","Reactions of Group 4 Metallocene Alkyne Complexes with Azobenzene: Formation of Diazametallacyclopropanes and N═N Bond Activation","Organometallics","2010","29","11","2604","","10.1021/om100306b","","","0.71073","MoKα","","0.0518","0.0331","","","0.0817","0.0866","","","","","","0.873","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066158","12.7023","0.0004","12.7894","0.0004","14.3692","0.0005","90","","90","","90","","2334.35","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O6 Sn2 W2 -","- C20 H20 O6 Sn2 W2 -","- C80 H80 O24 Sn8 W8 -","4","0.5","","Bera, Holger; Braunschweig, Holger; Dörfler, Rainer; Kupfer, Thomas; Radacki, Krzysztof; Seeler, Fabian","Half-Sandwich Tungsten Complexes with Metal- and η5-Cyclopentadienyl-Bound Functional Stannyl Groups and Their Transformation intoAnsaComplexes†","Organometallics","2010","29","21","5111","","10.1021/om100324m","","","0.71073","MoKα","","0.0368","0.0339","","","0.08","0.081","","","","","","1.209","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066177","9.9024","0.0002","14.0656","0.0004","24.2369","0.0006","90","","90","","90","","3375.79","0.14","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H34 N6 Zn2 -","- C40 H34 N6 Zn2 -","- C160 H136 N24 Zn8 -","4","0.5","","Kahnes, Marcel; Görls, Helmar; Westerhausen, Matthias","Synthesis of Dinuclear Zinc Alkynyls and Their Use in Catalytic Silicon−Carbon Bond Formation","Organometallics","2010","29","16","3490","","10.1021/om100338s","","","0.71073","MoKα","","0.0604","0.0355","","","0.075","0.083","","","","","","1.024","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066248","15.1433","0.0007","9.2167","0.0004","30.8421","0.0015","90","","90","","90","","4304.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Fe O2 Si -","- C22 H30 Fe O2 Si -","- C176 H240 Fe8 O16 Si8 -","8","1","","Jutzi, Peter; Leszczyńska, Kinga; Mix, Andreas; Neumann, Beate; Rummel, Britta; Schoeller, Wolfgang; Stammler, Hans-Georg","Synthesis and Characterization of the Ferrio-Substituted Silicon(II) Compound Me5C5(CO)2FeSiC5Me5†","Organometallics","2010","29","21","4759","","10.1021/om100366f","","","0.71073","MoKα","","0.0706","0.0419","","","0.1024","0.1144","","","","","","1.021","","","","has coordinates,has disorder","178554","2020-10-21","18:00:00",""
"4066259","6.9726","0.0004","11.1807","0.0006","21.3756","0.0012","90","","90","","90","","1666.41","0.16","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H11 O P -","- C8 H11 O P -","- C64 H88 O8 P8 -","8","1","","Ananikov, Valentine P.; Gayduk, Konstantin A.; Starikova, Zoya A.; Beletskaya, Irina P.","Ni(acac)2/Phosphine as an Excellent Precursor of Nickel(0) for Catalytic Systems†","Organometallics","2010","29","21","5098","","10.1021/om1003732","","","0.71073","MoKα","","0.0449","0.0348","","","0.0761","0.0806","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4066328","13.4319","0.0002","28.3133","0.0003","13.6054","0.0001","90","","90","","90","","5174.15","0.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H40 N2 O2 Si W -","- C25 H40 N2 O2 Si W -","- C200 H320 N16 O16 Si8 W8 -","8","1","","Suzuki, Eiji; Komuro, Takashi; Kanno, Yuto; Okazaki, Masaaki; Tobita, Hiromi","Facile 1,2-Migration of a Methyl Group on a {Dimethoxy(methyl)silyl}tungsten Complex: Formation of a Base-Stabilized (Dimethoxysilylene)(methyl) Complex†","Organometallics","2010","29","21","5296","","10.1021/om100399s","","","0.71069","MoKα","","0.0595","0.0458","","","0.0852","0.0961","","","","","","1.456","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066359","16.585","0.004","13.446","0.003","21.832","0.005","90","","90","","90","","4868.6","1.9","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H31 B N2 O S -","- C27 H31 B N2 O S -","- C216 H248 B8 N16 O8 S8 -","8","1","","Matsumoto, Takeshi; Wade, Casey R.; Gabbaï, François P.","Synthesis and Lewis Acidic Behavior of a Cationic 9-Thia-10-boraanthracene†","Organometallics","2010","29","21","5490","","10.1021/om100415z","","","0.71073","MoKα","","0.087","0.0476","","","0.081","0.0888","","","","","","1.008","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066367","13.3419","0.001","17.3132","0.0014","21.511","0.002","90","","90","","90","","4968.8","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H40 N2 -","- C27 H40 N2 -","- C216 H320 N16 -","8","1","","Collins, Mary S.; Rosen, Evelyn L.; Lynch, Vincent M.; Bielawski, Christopher W.","Differentially Substituted Acyclic Diaminocarbene Ligands Display Conformation-Dependent Donicities","Organometallics","2010","29","13","3047","","10.1021/om1004226","","","0.71074","MoKα","","0.0695","0.0501","","","0.112","0.122","","","","","","1.02","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066372","19.6592","0.0006","19.2293","0.0006","15.481","0.0005","90","0.005","90","0.005","90","0.005","5852.3","0.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H40 Cl Ir N2 O2 -","- C29 H40 Cl Ir N2 O2 -","- C232 H320 Cl8 Ir8 N16 O16 -","8","1","","Collins, Mary S.; Rosen, Evelyn L.; Lynch, Vincent M.; Bielawski, Christopher W.","Differentially Substituted Acyclic Diaminocarbene Ligands Display Conformation-Dependent Donicities","Organometallics","2010","29","13","3047","","10.1021/om1004226","","","0.71069","MoKα","","0.0409","0.0262","","","0.0667","0.0737","","","","","","1.015","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066396","11.8998","0.0003","15.5324","0.0004","27.9034","0.0007","90","","90","","90","","5157.5","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H42 Ir N O P2 -","- C24 H42 Ir N O P2 -","- C192 H336 Ir8 N8 O8 P16 -","8","1","","Schwartsburd, Leonid; Iron, Mark A.; Konstantinovski, Leonid; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","Synthesis and Reactivity of an Iridium(I) Acetonyl PNP Complex. Experimental and Computational Study of Metal−Ligand Cooperation in H−H and C−H Bond Activation via Reversible Ligand Dearomatization","Organometallics","2010","29","17","3817","","10.1021/om1004435","","","0.71073","MoKα","","0.0498","0.0293","","","0.0588","0.0674","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4066428","16.874","0.006","20.788","0.007","31.858","0.009","90","","90","","90","","11175","6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H86 Au B F4 N4 -","- C58 H86 Au B F4 N4 -","- C464 H688 Au8 B8 F32 N32 -","8","1","","Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P.","Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes†","Organometallics","2010","29","21","5402","","10.1021/om100456b","","","0.71073","MoKα","","0.1045","0.0875","","","0.2003","0.2097","","","","","","1.225","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066432","13.7743","0.0003","16.6626","0.0004","23.2563","0.0004","90","","90","","90","","5337.7","0.2","233","2","233","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H20 Cl4 N2 -","- C31 H20 Cl4 N2 -","- C248 H160 Cl32 N16 -","8","1","","Enk, Barbara; Eisenstecken, Daniela; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Pevny, Florian; Winter, Rainer F.; Bildstein, Benno","Doubly N-Functionalized Pentafulvenes and Redox-Responsive [N,N]- and [N,C,N]-Pincer Bis(imidoyl)pentamethylruthenocene Metalloligands","Organometallics","2010","29","14","3169","","10.1021/om100458h","","","0.71073","MoKα","","0.0649","0.0406","","","0.0925","0.1021","","","","","","1.03","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066440","11.19","0.002","13.114","0.003","19.667","0.004","90","","90","","90","","2886","1","240","1","240","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","5a","6[(chlorodimethylsilyl)methyl]-2,2-dimethyl-2H-[1,4,2]oxazasilolo[4,5-c]pyrimidine-5,7(3H,6H)-dione","","- C10 H17 Cl N2 O3 Si2 -","- C10 H17 Cl N2 O3 Si2 -","- C80 H136 Cl8 N16 O24 Si16 -","8","1","","Kertsnus-Banchik, Evgenia; Gostevskii, Boris; Botoshansky, Mark; Kalikhman, Inna; Kost, Daniel","Dinuclear Silicon Complexes of Uracil, Barbituric Acid, and 5,5-Dimethylbarbituric Acid: Hydrolytic Formation of Cyclic Oligomers(1)†","Organometallics","2010","29","21","5435","","10.1021/om100461b","","","0.71073","MoKα","","0.1169","0.045","","","0.0941","0.1113","","","","","","0.932","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066522","11.6877","0.0002","11.3921","0.0002","27.5719","0.0006","90","","90","","90","","3671.13","0.12","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Fe N O2 -","- C23 H21 Fe N O2 -","- C184 H168 Fe8 N8 O16 -","8","1","","Usener, Carolin; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Mück-Lichtenfeld, Christian; Erker, Gerhard","Developing a Reliable Synthetic Route tocis-1,3-Bridge-Disubstituted [3]Ferrocenophane Systems","Organometallics","2010","29","17","3852","","10.1021/om100501q","","","0.71073","MoKα","","0.0679","0.038","","","0.0881","0.0996","","","","","","1.018","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066603","27.569","0.003","18.834","0.002","17.903","0.002","90","","90","","90","","9295.9","1.8","180","2","180","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C40 H41 Cl4 F3 N O6 S2 Ta -","- C40 H41 Cl4 F3 N O6 S2 Ta -","- C320 H328 Cl32 F24 N8 O48 S16 Ta8 -","8","1","","Fandos, Rosa; Fernández-Gallardo, Jacob; Otero, Antonio; Rodríguez, Ana; Ruiz, María José","Influence of Hydrogen Bonds on the Stability of Some Cationic Monoaminocarbene Tantalum Complexes Containing Tridentate Bis(phenolato) [OSO]-Type Ligands","Organometallics","2010","29","22","5834","","10.1021/om100541g","","","0.71073","MoKα","","0.1629","0.0742","","","0.1831","0.2261","","","","","","0.972","","","","has coordinates,has disorder","178558","2020-10-21","18:00:00",""
"4066614","8.382","0.003","13.732","0.004","28.061","0.008","90","","90","","90","","3229.9","1.8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","in manuscript 2b","","","- C13 H16 Au Cl3 N2 -","- C13 H16 Au Cl3 N2 -","- C104 H128 Au8 Cl24 N16 -","8","1","","Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael","Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis","Organometallics","2010","29","20","4448","4458","10.1021/om1005484","","","0.71073","MoKα","","0.0302","0.0267","","","0.0544","0.0556","","","","","","1.134","","","","has coordinates","269227","2021-09-21","12:59:03",""
"4066653","15.4332","0.0004","17.7471","0.0004","18.5611","0.0003","90","","90","","90","","5083.78","0.19","123.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 Bi S2 Si2 -","- C22 H29 Bi S2 Si2 -","- C176 H232 Bi8 S16 Si16 -","8","1","","Ohshita, Joji; Matsui, Shigenori; Yamamoto, Roh; Mizumo, Tomonobu; Ooyama, Yousuke; Harima, Yutaka; Murafuji, Toshihiro; Tao, Keisuke; Kuramochi, Yusuke; Kaikoh, Takashi; Higashimura, Hideyuki","Synthesis of Dithienobismoles as Novel Phosphorescence Materials","Organometallics","2010","29","15","3239","","10.1021/om100560n","","","0.71075","MoKα","","","0.0488","","","","0.0546","","","","","","4.538","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066675","13.2933","0.0009","12.4533","0.0008","26.2599","0.0017","90","","90","","90","","4347.2","0.5","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","unimc08","","","- C28 H32 Ru2 -","- C28 H32 Ru2 -","- C224 H256 Ru16 -","8","1","","Chin, Robert M.; Simonson, Andrew; Mauldin, Joshua; Criswell, Jared; Brennessel, William","Syntheses and Characterization of Ruthenium Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand and Acetonitrile Ligands","Organometallics","2010","29","17","3868","","10.1021/om100566w","","","0.71073","MoKα","","0.0364","0.0268","","","0.0585","0.0623","","","","","","1.067","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066705","16.112","0.004","9.467","0.003","19.243","0.004","90","","90","","90","","2935.2","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 O Pd -","- C14 H17 Cl N2 O Pd -","- C112 H136 Cl8 N16 O8 Pd8 -","8","1","","D’Amora, Angela; Fanfoni, Lidia; Cozzula, Daniela; Guidolin, Nicol; Zangrando, Ennio; Felluga, Fulvia; Gladiali, Serafino; Benedetti, Fabio; Milani, Barbara","Addressing the Poly- to Oligo-ketone Selectivity in Styrene Carbonylation Catalyzed by Palladium/bpy Complexes. Effect of the 6-Alkyl Substitution","Organometallics","2010","29","20","4472","","10.1021/om100585x","","","0.71073","Mokα","","0.0675","0.0412","","","0.0986","0.1074","","","","","","0.833","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066745","10.95","0.003","14.911","0.004","33.679","0.01","90","","90","","90","","5499","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","8d","","","- C36 H26 Ir N3 O2 -","- C36 H26 Ir N3 O2 -","- C288 H208 Ir8 N24 O16 -","8","1","","Tsurugi, Hayato; Fujita, Shingo; Choi, Gyeongshin; Yamagata, Tsuneaki; Ito, Syoji; Miyasaka, Hiroshi; Mashima, Kazushi","Carboxylate Ligand-Induced Intramolecular C−H Bond Activation of Iridium Complexes withN-Phenylperimidine-Based Carbene Ligands","Organometallics","2010","29","18","4120","","10.1021/om100604u","","","0.71075","MoKα","","0.0854","0.0536","","","0.1444","0.1811","","","","","","1.172","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066804","19.056","0.003","13.8732","0.0019","49.033","0.007","90","","90","","90","","12963","3","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H77 Cl3 N6 Ni Pt -","- C74 H77 Cl3 N6 Ni Pt -","- C592 H616 Cl24 N48 Ni8 Pt8 -","8","1","","Yoshida, Keita; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi","Platinum(II) and Platinum(IV) Porphyrin Pincer Complexes: Synthesis, Structures, and Reactivity","Organometallics","2010","29","17","3997","","10.1021/om100644n","","","0.71069","MoKα","","0.1386","0.0929","","","0.1937","0.2128","","","","","","1.125","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066851","14.704","0.0004","14.0265","0.0004","18.9878","0.0005","90","","90","","90","","3916.15","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Co N2 O2 S -","- C20 H26 Co N2 O2 S -","- C160 H208 Co8 N16 O16 S8 -","8","1","","Vélez, Carmen L; Markwick, Phineus R. L.; Holland, Ryan L.; Dipasquale, Antonio G.; Rheingold, Arnold L.; O'Connor, Joseph M","Cobalt 1,3-Diisopropyl-1H-imidazol-2-ylidene Complexes: Synthesis, Solid-State Structures, and Quantum Chemistry Calculations.","Organometallics","2010","29","24","6695","6702","10.1021/om100680c","","","1.54178","CuKα","","0.0502","0.033","","","0.0697","0.0761","","","","","","1.029","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066878","8.4658","0.0002","19.9508","0.0005","33.6138","0.0009","90","","90","","90","","5677.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H34 B Ir N6 O4 -","- C27 H34 B Ir N6 O4 -","- C216 H272 B8 Ir8 N48 O32 -","8","1","","Cristóbal, Crispín; García-Rubín, Silvia; Hernández, Yohar A.; López-Serrano, Joaquín; Paneque, Margarita; Posadas, Cristina M.; Poveda, Manuel L.; Rendón, Nuria; Álvarez, Eleuterio","Iridafurans by Coupling of Alkynes and Aldehydes on a TpMe2Ir System. Facile Demethoxycarbonylation of a β-CO2Me Substituent","Organometallics","2010","29","22","5744","","10.1021/om1006853","","","0.71073","MoKα","","0.0614","0.036","","","0.0808","0.0897","","","","","","1.051","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066913","12.3266","0.0004","20.0488","0.0007","31.3531","0.0009","90","","90","","90","","7748.4","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H60 Cl4 O P2 Ru -","- C36 H60 Cl4 O P2 Ru -","- C288 H480 Cl32 O8 P16 Ru8 -","8","1","","Boone, Michael P.; Brown, Christopher C.; Ancelet, Travis A.; Stephan, Douglas W.","Interconversion of Ruthenium-O(CH2CH2PCy2)2Alkylidene and Alkylidyne Hydride Complexes","Organometallics","2010","29","19","4369","","10.1021/om100707a","","","0.71073","MoKα","","0.0679","0.0402","","","0.0797","0.0894","","","","","","1.024","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066976","11.698","0.0019","10.4588","0.0017","16.084","0.003","90","","90","","90","","1967.8","0.6","223.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl P Pd -","- C6 H14 Cl P Pd -","- C48 H112 Cl8 P8 Pd8 -","8","1","","Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Hruszkewycz, Damian P.; Incarvito, Christopher D.; Schmeier, Timothy J.","The Reaction of Carbon Dioxide with Palladium Allyl Bonds.","Organometallics","2010","29","23","6369","6376","10.1021/om1007456","","","0.71075","MoKα","","","0.0601","","","","0.0897","","","","","","1.316","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067018","10.263","0.0006","20.5092","0.0009","45.27","0.002","90","","90","","90","","9528.7","0.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F9 O P -","- C23 H25 B F9 O P -","- C368 H400 B16 F144 O16 P16 -","16","2","","Schnurr, Anna; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Rigid, Fluoroarene-Containing Phosphonium Borates and Boranes: Syntheses and Reactivity Studies","Organometallics","2010","29","22","6012","","10.1021/om100776k","","","0.71073","MoKα","","0.0866","0.0529","","","0.1266","0.1398","","","","","","0.952","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067024","10.1201","0.0004","20.4708","0.0008","45.668","0.002","90","","90","","90","","9460.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H26 B F8 O P -","- C23 H26 B F8 O P -","- C368 H416 B16 F128 O16 P16 -","16","2","","Schnurr, Anna; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Rigid, Fluoroarene-Containing Phosphonium Borates and Boranes: Syntheses and Reactivity Studies","Organometallics","2010","29","22","6012","","10.1021/om100776k","","","0.71073","MoKα","","0.1049","0.0441","","","0.0735","0.0874","","","","","","0.848","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067026","12.3167","0.0005","17.5802","0.0006","19.4216","0.0007","90","","90","","90","","4205.4","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H25 B Cl F4 P -","- C21 H25 B Cl F4 P -","- C168 H200 B8 Cl8 F32 P8 -","8","1","","Schnurr, Anna; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Rigid, Fluoroarene-Containing Phosphonium Borates and Boranes: Syntheses and Reactivity Studies","Organometallics","2010","29","22","6012","","10.1021/om100776k","","","0.71073","MoKα","","0.0445","0.0332","","","0.0797","0.0841","","","","","","1.055","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067064","20.9496","0.0007","21.0979","0.0007","36.6305","0.0013","90","","90","","90","","16190.4","1","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl2 F6 N4 O4 Pd2 S2 -","- C37 H32 Cl2 F6 N4 O4 Pd2 S2 -","- C592 H512 Cl32 F96 N64 O64 Pd32 S32 -","16","2","","Yuan, Dan; Huynh, Han Vinh","Dinuclear and Tetranuclear Palladium(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand and Their Activities toward Suzuki−Miyaura Coupling","Organometallics","2010","29","22","6020","","10.1021/om1008023","","","0.71073","MoKα","","0.0665","0.0488","","","0.1088","0.1157","","","","","","1.081","","","","has coordinates,has disorder","178505","2020-10-21","18:00:00",""
"4067136","9.4046","0.0011","9.6243","0.0011","22.776","0.003","90","","90","","90","","2061.5","0.4","198","1","198","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B N Ti -","- C10 H15 B N Ti -","- C80 H120 B8 N8 Ti8 -","8","1","","Wolstenholme, David J.; Traboulsee, Kyle T.; Decken, Andreas; McGrady, G. Sean","Structure and Bonding of Titanocene Amidoborane Complexes: A Common Bonding Motif with Their β-Agostic Organometallic Counterparts","Organometallics","2010","29","22","5769","","10.1021/om100848c","","x-ray","0.71073","MoKα","","0.1053","0.042","","","0.0742","0.0981","","","","","","1.19","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067137","16.3019","0.0025","17.5047","0.0027","21.8455","0.0034","90","","90","","90","","6233.8","1.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H52 Ni P2 -","- C32 H52 Ni P2 -","- C256 H416 Ni8 P16 -","8","1","","Hatnean, Jillian A.; Beck, Robert; Borrelli, Jenna D.; Johnson, Samuel A.","Carbon−Hydrogen Bond Oxidative Addition of Partially Fluorinated Aromatics to a Ni(PiPr3)2Synthon: The Influence of Steric Bulk on the Thermodynamics and Kinetics of C−H Bond Activation","Organometallics","2010","29","22","6077","","10.1021/om1008499","","","0.71073","MoKα","","0.0813","0.0498","","","0.1008","0.1174","","","","","","1.068","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067177","16.0967","0.0002","16.5501","0.0002","18.3592","0.0002","90","","90","","90","","4890.93","0.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H43 N2 Ti -","- C23 H43 N2 Ti -","- C184 H344 N16 Ti8 -","8","1","","Trunkely, Emily F.; Epshteyn, Albert; Zavalij, Peter Y.; Sita, Lawrence R.","Synthesis, Structural Characterization, and Preliminary Reactivity Profile of a Series of Monocyclopentadienyl, Monoacetamidinate Titanium(III) Alkyl Complexes Bearing β-Hydrogens","Organometallics","2010","29","23","6587","","10.1021/om100877d","","","0.71073","MoKα","","0.0385","0.0352","","","0.0774","0.0788","","","","","","1","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067188","15.9009","0.0003","14.0408","0.0003","19.9763","0.0004","90","","90","","90","","4459.94","0.16","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Cl Ni P2 -","- C20 H37 Cl Ni P2 -","- C160 H296 Cl8 Ni8 P16 -","8","1","","Smith, Erin E.; Du, Guodong; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Dehydrocoupling of Organosilanes with a Dinuclear Nickel Hydride Catalyst and Isolation of a Nickel Silyl Complex","Organometallics","2010","29","23","6527","","10.1021/om100887v","","","0.71073","MO-Kα","","0.057","0.034","","","0.074","0.08","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067199","20.0199","0.001","16.7127","0.0007","21.5983","0.0008","90","","90","","90","","7226.5","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H37 B F15 P -","- C36 H37 B F15 P -","- C288 H296 B8 F120 P8 -","8","1","","Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W.","Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes","Organometallics","2010","29","23","6594","","10.1021/om1009044","","","0.71073","MoKα","","0.1722","0.0584","","","0.1035","0.1371","","","","","","0.972","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067250","16.7233","0.0007","19.1664","0.0007","33.6405","0.0019","90","","90","","90","","10782.6","0.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C65 H63 F6 P2 Ru Sb -","- C65 H63 F6 P2 Ru Sb -","- C520 H504 F48 P16 Ru8 Sb8 -","8","1","","Chen, Kuo-Hao; Feng, Yi Jhen; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong; Kuo, Ting-Shen","Cyclization Accompanied with 1,2-Phenyl Migration in the Protonation of Ruthenium Acetylide Complex Containing an Allenyl Group","Organometallics","2010","29","24","6829","","10.1021/om101017p","","","0.71073","MoKα","","0.1535","0.0491","","","0.0737","0.0871","","","","","","0.775","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067351","12.7937","0.0004","18.8424","0.0004","33.487","0.0011","90","","90","","90","","8072.5","0.4","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31.1 H62.25 I1.15 N7 Sr2 -","- C31.1 H62.25 I1.15 N7 Sr2 -","- C248.8 H498 I9.2 N56 Sr16 -","8","1","","Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Stability and Reactivity of Phenylstrontium Compounds in Solution","Organometallics","2010","29","9","2034","","10.1021/om900888g","","","0.71073","MoKα","","0.1804","0.0742","","","0.1478","0.1821","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067364","18.929","0.004","12.633","0.003","22.822","0.004","90","","90","","90","","5457","2","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H32 Fe2 N2 O6 S -","- C23 H32 Fe2 N2 O6 S -","- C184 H256 Fe16 N16 O48 S8 -","8","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Liu, Chun-Rong; Hu, Qing-Mei","Two Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Formed from Trithiol MeC(CH2SH)3, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles to Produce the Corresponding Neutral Triple- and Double-Butterfly Cluster Complexes","Organometallics","2010","29","1","205","","10.1021/om900899h","","","0.71073","MoKα","","0.1812","0.0526","","","0.1069","0.153","","","","","","1.033","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067380","14.7586","0.0008","13.6043","0.0008","24.0237","0.0014","90","","90","","90","","4823.5","0.5","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H27 N3 O2 Ru -","- C27 H27 N3 O2 Ru -","- C216 H216 N24 O16 Ru8 -","8","1","","Gallagher, Michelle; Wieder, Noah L.; Dioumaev, Vladimir K.; Carroll, Patrick J.; Berry, Donald H.","Low-Valent Ruthenium Complexes of the Non-innocent 2,6-Bis(imino)pyridine Ligand","Organometallics","2010","29","3","591","","10.1021/om9009075","","","0.71073","MoKα","","0.047","0.0347","","","0.0794","0.0866","","","","","","1.108","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067486","16.623","0.003","9.0607","0.0018","24.332","0.005","90","","90","","90","","3664.8","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H30 Ge N2 O2 -","- C15 H30 Ge N2 O2 -","- C120 H240 Ge8 N16 O16 -","8","1","","Ruddy, Adam J.; Rupar, Paul A.; Bladek, Kamila J.; Allan, Christopher J.; Avery, Jessica C.; Baines, Kim M.","On the Bonding in N-Heterocyclic Carbene Complexes of Germanium(II)","Organometallics","2010","29","6","1362","","10.1021/om900977g","","x-ray","0.71073","MoKα","","0.1576","0.0819","","","0.2161","0.2604","","","","","","0.959","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067487","14.35","0.003","16.739","0.003","19.434","0.004","90","","90","","90","","4668.1","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H34 Ge N2 -","- C25 H34 Ge N2 -","- C200 H272 Ge8 N16 -","8","1","","Ruddy, Adam J.; Rupar, Paul A.; Bladek, Kamila J.; Allan, Christopher J.; Avery, Jessica C.; Baines, Kim M.","On the Bonding in N-Heterocyclic Carbene Complexes of Germanium(II)","Organometallics","2010","29","6","1362","","10.1021/om900977g","","x-ray","0.71073","MoKα","","0.0984","0.0503","","","0.1169","0.1367","","","","","","1.033","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067495","14.86958","0.00011","12.21797","0.00012","25.8649","0.0003","90","","90","","90","","4699.03","0.08","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cl F6 P Pd Ru S2 -","- C19 H26 Cl F6 P Pd Ru S2 -","- C152 H208 Cl8 F48 P8 Pd8 Ru8 S16 -","8","1","","Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity","Organometallics","2010","29","5","1157","","10.1021/om900984t","","","0.71073","MoKα","","0.0213","0.0169","","","0.0367","0.0382","","","","","","1.039","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067496","14.6653","0.00011","14.08899","0.00013","26.2077","0.0005","90","","90","","90","","5415.02","0.12","125","2","125","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H36 B Cl F4 Pd Ru S2 -","- C24 H36 B Cl F4 Pd Ru S2 -","- C192 H288 B8 Cl8 F32 Pd8 Ru8 S16 -","8","1","","Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity","Organometallics","2010","29","5","1157","","10.1021/om900984t","","","0.71073","MoKα","","0.0307","0.0214","","","0.043","0.0459","","","","","","1.083","","","","has coordinates,has disorder","178565","2020-10-21","18:00:00",""
"4067519","15.55","0.003","16.818","0.004","16.818","0.004","90","","90","","90","","4398.2","1.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Cl N O P Pd S -","- C23 H23 Cl N O P Pd S -","- C184 H184 Cl8 N8 O8 P8 Pd8 S8 -","8","1","","Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Cyclopalladation ofmeta-(Diphenylthiophosphoryloxy)benzaldimines:NCSand UnexpectedNCO5,6-Membered Pincer Palladium Complexes","Organometallics","2010","29","9","2054","","10.1021/om9009894","","","0.71073","MoKα","","0.0283","0.0212","","","0.0617","0.0673","","","","","","1.001","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067523","17.726","0.01","25.649","0.014","28.124","0.015","90","","90","","90","","12787","12","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55.5 H78 Al3 Cl5 N4 Th2 -","- C55.5 H78 Al3 Cl5 N4 Th2 -","- C444 H624 Al24 Cl40 N32 Th16 -","8","1","","Korobkov, Ilia; Vidjayacoumar, Balamurugan; Gorelsky, Serge I.; Billone, Paul; Gambarotta, Sandro","Attempting to Reduce the Irreducible: Preparation of a Rare Paramagnetic Thorium Species","Organometallics","2010","29","3","692","","10.1021/om900996n","","","0.71073","MoKα","","0.1156","0.0643","","","0.1611","0.199","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067532","12.476","0.003","12.81","0.003","32.94","0.007","90","","90","","90","","5264","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Cl N4 O Ti -","- C32 H27 Cl N4 O Ti -","- C256 H216 Cl8 N32 O8 Ti8 -","8","1","","Sun, Wen-Hua; Liu, Shaofeng; Zhang, Wenjuan; Zeng, Yanning; Wang, Deligeer; Liang, Tongling","Syntheses, Characterization, and the Ethylene (Co-)Polymerization Screening of 2-Benzimidazolyl-N-phenylquinoline-8-carboxamide Half-Titanocene Chlorides","Organometallics","2010","29","4","732","","10.1021/om9010033","","","0.71073","MoKα","","0.0814","0.0746","","","0.1515","0.1548","","","","","","1.255","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067576","17.3669","0.001","19.0891","0.0016","19.8608","0.0012","90","","90","","90","","6584.2","0.8","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C31 H34 B2 F6 N6 O P Ru -","- C31 H34 B2 F6 N6 O P Ru -","- C248 H272 B16 F48 N48 O8 P8 Ru8 -","8","1","","Mutseneck, Elena V.; Reus, Christian; Schödel, Frauke; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Reactions of [Cp*RuCl]4and [(p-cymene)RuCl2]2with the Tridentate Ligand [Ph(pz)B(μ-O)(μ-pz)B(pz)Ph]−","Organometallics","2010","29","4","966","","10.1021/om901022d","","","0.71073","MoKα","","0.0444","0.033","","","0.0854","0.0895","","","","","","1.035","","","","has coordinates","178566","2020-10-21","18:00:00",""
"4067689","9.3678","0.0007","17.8334","0.0014","39.472","0.003","90","","90","","90","","6594.2","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H38 Mo P2 -","- C42 H38 Mo P2 -","- C336 H304 Mo8 P16 -","8","1","","Brown, Neil J.; Collison, David; Edge, Ruth; Fitzgerald, Emma C.; Helliwell, Madeleine; Howard, Judith A. K.; Lancashire, Hannah N.; Low, Paul J.; McDouall, Joseph J. W.; Raftery, James; Smith, Charlene A.; Yufit, Dmitry S.; Whiteley, Mark W.","Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(C\τb CR)(Ph2PCH2CH2PPh2)(η-C7H7)]n+(n= 0 or 1; R =But, Fc, CO2Me, or C6H4-4-X, X = NH2, OMe, Me, H, CHO, CO2Me)","Organometallics","2010","29","5","1261","","10.1021/om901074b","","","0.71073","MoKα","","0.1735","0.0585","","","0.0659","0.086","","","","","","0.722","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067692","19.117","0.002","27.208","0.004","55.768","0.008","90","","90","","90","","29007","7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39.38 H41 B Cl0.75 F4 Mo P2 -","- C39.375 H41 B Cl0.75 F4 Mo P2 -","- C1260 H1312 B32 Cl24 F128 Mo32 P64 -","32","4","","Brown, Neil J.; Collison, David; Edge, Ruth; Fitzgerald, Emma C.; Helliwell, Madeleine; Howard, Judith A. K.; Lancashire, Hannah N.; Low, Paul J.; McDouall, Joseph J. W.; Raftery, James; Smith, Charlene A.; Yufit, Dmitry S.; Whiteley, Mark W.","Spectroscopic Properties and Electronic Structure of the Cycloheptatrienyl Molybdenum Alkynyl Complexes [Mo(C\τb CR)(Ph2PCH2CH2PPh2)(η-C7H7)]n+(n= 0 or 1; R =But, Fc, CO2Me, or C6H4-4-X, X = NH2, OMe, Me, H, CHO, CO2Me)","Organometallics","2010","29","5","1261","","10.1021/om901074b","","","0.71073","MoKα","","0.1764","0.0601","","","0.0998","0.1205","","","","","","0.782","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067725","17.318","0.0004","20.922","0.0003","24.893","0.0005","90","","90","","90","","9019.4","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49.77 H44.42 Br3.12 P2 Zn -","- C49.768 H44.42 Br3.116 P2 Zn -","- C398.144 H355.36 Br24.928 P16 Zn8 -","8","1","","MacIntosh, Ian S.; Sherren, Cody N.; Robertson, Katherine N.; Masuda, Jason D.; Pye, Cory C.; Clyburne, Jason A. C.","Isolation and Structures of Two New Organozinc Anions from Solutions Rich in Halide Ions","Organometallics","2010","29","9","2063","","10.1021/om901097r","","","0.71073","MoKα","","0.114","0.0618","","","0.1275","0.1478","","","","","","1.048","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067738","15.9177","0.0004","17.2413","0.0005","25.658","0.0007","90","","90","","90","","7041.6","0.3","170","2","170","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H29 Cl2 Fe2 N O5 P2 S2 -","- C33 H29 Cl2 Fe2 N O5 P2 S2 -","- C264 H232 Cl16 Fe16 N8 O40 P16 S16 -","8","1","","Lounissi, Sondès; Capon, Jean-François; Gloaguen, Frédéric; Matoussi, Fatma; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean","Reactivity of [Fe2(CO)6(μ-S2)] toward a Base-Containing Diphosphine (Ph2PCH2)2NCH3: Formation of Diiron Carbonyl Compounds Having Polydentate Heterofunctionalized Phosphine (PNS = Ph2PCH2N(CH3)CH2S) and Bidentate Thiophosphinito (Ph2PS = PS) Bridges","Organometallics","2010","29","5","1296","","10.1021/om9011054","","x-ray","0.71073","MoKα","","0.072","0.0344","","","0.0769","0.0953","","","","","","1.015","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067789","12.4337","0.0001","16.8711","0.0001","19.1912","0.0001","90","","90","","90","","4025.74","0.05","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O2 Pt -","- C25 H20 N2 O2 Pt -","- C200 H160 N16 O16 Pt8 -","8","1","","Fuertes, Sara; Brayshaw, Simon K.; Raithby, Paul R.; Schiffers, Stephanie; Warren, Mark R.","New C∧N∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties","Organometallics","2012","31","1","105","","10.1021/om200589q","","","0.71073","MoKα","","0.0429","0.0271","","","0.0762","0.0797","","","","","","0.993","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067942","13.761","0.0004","17.2858","0.0005","39.9274","0.0012","90","","90","","90","","9497.5","0.5","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H62 Au2 Cl2 F12 P2 Sb2 -","- C37 H62 Au2 Cl2 F12 P2 Sb2 -","- C296 H496 Au16 Cl16 F96 P16 Sb16 -","8","1","","Brooner, Rachel E. M.; Widenhoefer, Ross A.","Synthesis and Structure of Dicationic, Bis(gold) π-Alkene Complexes Containing a 2,2′-Bis(phosphino)biphenyl Ligand","Organometallics","2012","31","2","768","","10.1021/om200948z","","","0.71073","MoKα","","0.0918","0.0529","","","0.1268","0.1453","","","","","","1.085","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4068023","20.377","0.0019","17.9161","0.0017","33.864","0.003","90","","90","","90","","12363","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H58 B Cu O P4 -","- C67 H58 B Cu O P4 -","- C536 H464 B8 Cu8 O8 P32 -","8","1","","Ángeles Fuentes, M.; Álvarez, Eleuterio; Caballero, Ana; Pérez, Pedro J.","[(PhBP3)Cu(PPh3)] as a Surrogate of TpxCuL in Homogeneous Catalysis (PhBP3= PhB(CH2PPh2)3; Tpx= Hydrotrispyrazolylborate)","Organometallics","2012","31","3","959","","10.1021/om201016b","","","0.71073","MoKα","","0.0938","0.062","","","0.1453","0.1921","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068063","14.6381","0.0006","19.0373","0.0008","19.6577","0.0011","90","","90","","90","","5478","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H35 N Ni P2 -","- C31 H35 N Ni P2 -","- C248 H280 N8 Ni8 P16 -","8","1","","Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen","Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination","Organometallics","2012","31","2","700","","10.1021/om201041z","","","0.71073","MoKα","","0.1298","0.0674","","","0.1604","0.2074","","","","","","1.098","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068076","17.5094","0.0002","15.9826","0.0002","18.311","0.0002","90","","90","","90","","5124.26","0.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H38 F6 Os P2 -","- C23 H38 F6 Os P2 -","- C184 H304 F48 Os8 P16 -","8","1","","Esteruelas, Miguel A.; López, Ana M.; Mozo, Silvia; Oñate, Enrique","Formation of Osmium-Allylphosphinomethanide Complexes by Coupling of an Isopropenyldiisopropylphosphine and Monosubstituted Allenes","Organometallics","2012","31","1","440","","10.1021/om201077b","","","0.7107","MoKα","","0.0786","0.0351","","","0.0781","0.0836","","","","","","0.981","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068119","6.5876","0.001","12.473","0.003","31.209","0.006","90","","90","","90","","2564.4","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","dibromo(methyl)stibine-pentacarbonyltungsten(0)","","- C6 H3 Br2 O5 Sb W -","- C6 H3 Br2 O5 Sb W -","- C48 H24 Br16 O40 Sb8 W8 -","8","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0358","0.0277","","","0.0562","0.0604","","","","","","1.115","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068128","11.8773","0.0007","13.8122","0.0009","37.927","0.002","90","","90","","90","","6222","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H38 Cl2 O2 Si2 -","- C30 H38 Cl2 O2 Si2 -","- C240 H304 Cl16 O16 Si16 -","8","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.0745","0.0452","","","0.0972","0.1059","","","","","","0.903","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068132","14.294","0.0008","13.8238","0.0007","35.2329","0.0017","90","","90","","90","","6961.9","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O W -","- C19 H25 N O W -","- C304 H400 N16 O16 W16 -","16","2","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0287","0.0253","","","0.0499","0.0508","","","","","","1.287","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068134","9.3285","0.0006","15.5488","0.0009","25.2601","0.0016","90","","90","","90","","3663.9","0.4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C160 H216 N8 O8 W8 -","8","1","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0415","0.027","","","0.0589","0.0646","","","","","","1.01","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068161","11.0719","0.0006","15.3825","0.0008","27.1192","0.0012","90","","90","","90","","4618.8","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H10 B F15 Si -","- C22 H10 B F15 Si -","- C176 H80 B8 F120 Si8 -","8","1","","Neu, Rebecca C.; Stephan, Douglas W.","Insertion Reactions of Diazomethanes and Electrophilic Boranes","Organometallics","2012","31","1","46","","10.1021/om2011613","","","0.71073","MoKα","","0.0499","0.0364","","","0.0879","0.0947","","","","","","1.017","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068176","16.7924","0.0005","8.6165","0.0002","32.3673","0.001","90","","90","","90","","4683.3","0.2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H31 F N O P Pd -","- C25 H31 F N O P Pd -","- C200 H248 F8 N8 O8 P8 Pd8 -","8","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride","Organometallics","2012","31","4","1275","","10.1021/om201175d","","","0.71073","MoKα","","0.1172","0.0713","","","0.1067","0.1221","","","","","","1.054","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068177","11.422","0.0002","20.0331","0.0005","22.3063","0.0005","90","","90","","90","","5104.08","0.19","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H32 B F5 N O P Pd -","- C25 H32 B F5 N O P Pd -","- C200 H256 B8 F40 N8 O8 P8 Pd8 -","8","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Palladium-Assisted Room-Temperature Nucleophilic Substitution of an Unactivated Aryl Fluoride","Organometallics","2012","31","4","1275","","10.1021/om201175d","","","0.71073","MoKα","","0.0837","0.0641","","","0.1034","0.1102","","","","","","1.114","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068202","15.329","0.003","17.834","0.004","19.773","0.004","90","","90","","90","","5405.5","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl2 F6 N3 Ni -","- C23 H17 Cl2 F6 N3 Ni -","- C184 H136 Cl16 F48 N24 Ni8 -","8","1","","Antonov, Artem A.; Semikolenova, Nina V.; Zakharov, Vladimir A.; Zhang, Wenjuan; Wang, Youhong; Sun, Wen-Hua; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Vinyl Polymerization of Norbornene on Nickel Complexes with Bis(imino)pyridine Ligands Containing Electron-Withdrawing Groups","Organometallics","2012","31","3","1143","","10.1021/om201213v","","","0.71073","MoKα","","0.1011","0.0838","","","0.2099","0.2249","","","","","","1.168","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068282","19.741","0.0016","18.8899","0.0016","20.6055","0.0017","90","","90","","90","","7683.9","1.1","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H43 N2 O2 P2 Pd Rh Si2 -","- C36 H43 N2 O2 P2 Pd Rh Si2 -","- C288 H344 N16 O16 P16 Pd8 Rh8 Si16 -","8","1","","Fang, Min; Jones, Nathan D.; Friesen, Kristina; Lin, Guanyang; Ferguson, Michael J.; McDonald, Robert; Lukowski, Robert; Cavell, Ronald G.","Bimetallic, Spirocyclic, Methylene-Bridged Carbene Complexes of Rhodium and Palladium Derived by Stepwise Metalations of Lithiated Bis(diphenylphosphoranotrimethylsilylimido)methandiide","Organometallics","2009","28","6","1652","","10.1021/om8005678","","","0.71073","MoKα","","0.0631","0.0336","","","0.069","0.08","","","","","","1.031","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068308","13.081","0.002","18.575","0.003","28.996","0.005","90","","90","","90","","7045","2","100","1","100","1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 F5 Fe N2 Si -","- C38 H33 F5 Fe N2 Si -","- C304 H264 F40 Fe8 N16 Si8 -","8","1","","Volbeda, Jeroen; Meetsma, Auke; Bouwkamp, Marco W.","Electron-Deficient Iron Alkyl Complexes Supported by Diimine Ligand (Ph2CN)2C2H4: Evidence for Reversible Ethylene Binding","Organometallics","2009","28","1","209","","10.1021/om8006773","","","0.71073","MoKα","","0.1262","0.0744","","","0.195","0.2292","","","","","","1.054","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068329","9.0942","0.0005","12.9222","0.0009","30.1231","0.0014","90","","90","","90","","3540","0.4","193.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H29 N Ti -","- C18 H29 N Ti -","- C144 H232 N8 Ti8 -","8","1","","Saeed, Irfan; Katao, Shohei; Nomura, Kotohiro","Synthesis and Structural Analysis of (Cyclopentadienyl)(pyrrolide)titanium(IV) Complexes and Their Use in Catalysis for Olefin Polymerization","Organometallics","2009","28","1","111","","10.1021/om800713t","","","0.71075","MoKα","","","0.0571","","","","0.0664","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068349","16.828","0.003","15.926","0.002","18.622","0.002","90","","90","","90","","4990.7","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 I2 N2 P Pt -","- C23 H23 I2 N2 P Pt -","- C184 H184 I16 N16 P8 Pt8 -","8","1","","Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Frison, Gilles; Marinetti, Angela","Platinum(II) Complexes Featuring Chiral Diphosphines and N-Heterocyclic Carbene Ligands: Synthesis and Evaluation as Cycloisomerization Catalysts","Organometallics","2009","28","1","140","","10.1021/om800743r","","","0.7107","MoKα","","0.0704","0.0409","","","0.0954","0.1111","","","","","","1.021","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068361","19.204","0.006","9.975","0.003","22.158","0.007","90","","90","","90","","4245","2","155","2","155","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Te2 U2 -","- C48 H56 Te2 U2 -","- C192 H224 Te8 U8 -","4","0.5","","Evans, William J.; Takase, Michael K.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Reductive Reactivity of the Tetravalent Uranium Complex [(η5-C5Me5)(η8-C8H8)U]2(μ-η3:η3-C8H8)","Organometallics","2009","28","1","236","","10.1021/om800747s","","","0.71073","MoKα","","0.0504","0.0328","","","0.0618","0.0665","","","","","","1.193","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068362","12.191","0.004","17.707","0.008","19.051","0.005","90","","90","","90","","4112","3","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","UCI-MKT-1","","","- C48 H56 Se2 U2 -","- C48 H56 Se2 U2 -","- C192 H224 Se8 U8 -","4","0.5","","Evans, William J.; Takase, Michael K.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Reductive Reactivity of the Tetravalent Uranium Complex [(η5-C5Me5)(η8-C8H8)U]2(μ-η3:η3-C8H8)","Organometallics","2009","28","1","236","","10.1021/om800747s","","","0.71073","MoKα","","0.0691","0.0424","","","0.0941","0.1066","","","","","","1.007","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4068376","10.163","0.002","19.094","0.002","35.176","0.005","90","","90","","90","","6826","1.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H16 B2 F20 O8 -","- C30 H16 B2 F20 O8 -","- C240 H128 B16 F160 O64 -","8","1","","Lewis, Stewart P.; Chai, Jianfang; Collins, Scott; Sciarone, Timo J. J.; Henderson, Lee D.; Fan, Cheng; Parvez, Masood; Piers, Warren E.","Isobutene Polymerization Using Chelating Diboranes: Polymerization in Aqueous Suspension and Hydrocarbon Solution","Organometallics","2009","28","1","249","","10.1021/om8007629","","","0.71073","MoKα","","0.0659","0.0462","","","0.1157","0.1303","","","","","","1.024","","","","has coordinates,has disorder","178573","2020-10-21","18:00:00",""
"4068390","18.661","0.0009","19.7507","0.0009","19.8391","0.001","90","","90","","90","","7312.1","0.6","126","2","126","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H62 N P2 V -","- C36 H62 N P2 V -","- C288 H496 N8 P16 V8 -","8","1","","Kilgore, Uriah J.; Sengelaub, Caitlin A.; Fan, Hongjun; Tomaszewski, John; Karty, Jonathan A.; Baik, Mu-Hyun; Mindiola, Daniel J.","A Transient Vanadium(III) Neopentylidene Complex. Redox Chemistry and Reactivity of the VCHtBu Functionality","Organometallics","2009","28","3","843","","10.1021/om800800g","","","0.71073","MoKα","","0.0543","0.0337","","","0.0846","0.0953","","","","","","0.993","","","","has coordinates","288270","2023-12-12","22:18:42",""
"4068404","16.281","0.002","15.2933","0.0018","27.503","0.004","90","","90","","90","","6848","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H52 N2 O3 Zn -","- C36 H52 N2 O3 Zn -","- C288 H416 N16 O24 Zn8 -","8","1","","Labourdette, Guillaume; Lee, Daniel J.; Patrick, Brian O.; Ezhova, Maria B.; Mehrkhodavandi, Parisa","Unusually Stable Chiral Ethyl Zinc Complexes: Reactivity and Polymerization of Lactide","Organometallics","2009","28","5","1309","","10.1021/om800818v","","","0.71073","MoKα","","0.1017","0.0497","","","0.0915","0.1072","","","","","","1.017","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068430","17.8194","0.0006","19.0036","0.0006","23.9586","0.0007","90","","90","","90","","8113.2","0.4","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C43 H60 B N Ni P2 -","- C43 H60 B N Ni P2 -","- C344 H480 B8 N8 Ni8 P16 -","8","1","","Castonguay, Annie; Spasyuk, Denis M.; Madern, Nathalie; Beauchamp, André L.; Zargarian, Davit","Regioselective Hydroamination of Acrylonitrile Catalyzed by Cationic Pincer Complexes of Nickel(II)","Organometallics","2009","28","7","2134","","10.1021/om800840u","","","1.54178","CuKα","","0.0704","0.0524","","","0.1429","0.1566","","","","","","1.137","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068431","18.9665","0.0009","17.7718","0.0008","24.7209","0.0011","90","","90","","90","","8332.6","0.7","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C46 H58 B N Ni P2 -","- C46 H58 B N Ni P2 -","- C368 H464 B8 N8 Ni8 P16 -","8","1","","Castonguay, Annie; Spasyuk, Denis M.; Madern, Nathalie; Beauchamp, André L.; Zargarian, Davit","Regioselective Hydroamination of Acrylonitrile Catalyzed by Cationic Pincer Complexes of Nickel(II)","Organometallics","2009","28","7","2134","","10.1021/om800840u","","","1.54178","CuKα","","0.0805","0.0461","","","0.1128","0.129","","","","","","0.935","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068434","18.722","0.0003","18.4056","0.0003","28.488","0.0005","90","","90","","90","","9816.7","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C54 H75 B N2 Ni P2 -","- C54 H75 B N2 Ni P2 -","- C432 H600 B8 N16 Ni8 P16 -","8","1","","Castonguay, Annie; Spasyuk, Denis M.; Madern, Nathalie; Beauchamp, André L.; Zargarian, Davit","Regioselective Hydroamination of Acrylonitrile Catalyzed by Cationic Pincer Complexes of Nickel(II)","Organometallics","2009","28","7","2134","","10.1021/om800840u","","","1.54178","CuKα","","0.0761","0.0499","","","0.1306","0.1473","","","","","","1.036","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068439","14.5682","0.0005","18.4516","0.0007","26.1633","0.001","90","","90","","90","","7032.9","0.4","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H48 Cl N3 Pd -","- C36 H48 Cl N3 Pd -","- C288 H384 Cl8 N24 Pd8 -","8","1","","Kantchev, Eric Assen B.; Ying, Jackie Y.","Practical One-Pot, Three-Component Synthesis of N-Heterocyclic Carbene (NHC) Ligated Palladacycles Derived fromN,N-Dimethylbenzylamine","Organometallics","2009","28","1","289","","10.1021/om8008475","","","0.71073","MoKα","","0.0956","0.0671","","","0.1374","0.1495","","","","","","1.142","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068444","22.1198","0.0007","18.1254","0.0006","37.6542","0.0013","90","","90","","90","","15096.7","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.5 H52 Cl N3 O2 Pd -","- C38.5 H52 Cl N3 O2 Pd -","- C616 H832 Cl16 N48 O32 Pd16 -","16","2","","Kantchev, Eric Assen B.; Ying, Jackie Y.","Practical One-Pot, Three-Component Synthesis of N-Heterocyclic Carbene (NHC) Ligated Palladacycles Derived fromN,N-Dimethylbenzylamine","Organometallics","2009","28","1","289","","10.1021/om8008475","","","0.71073","MoKα","","0.0614","0.046","","","0.1048","0.1125","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068450","14.021","0.0002","15.7391","0.0002","25.84","0.0003","90","","90","","90","","5702.32","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Fe P2 S Se -","- C30 H36 Fe P2 S Se -","- C240 H288 Fe8 P16 S8 Se8 -","8","1","","Kahn, Sarah L.; Breheney, Meghan K.; Martinak, Sarah L.; Fosbenner, Stephanie M.; Seibert, Ashley R.; Kassel, W. Scott; Dougherty, William G.; Nataro, Chip","Synthesis, Characterization, and Electrochemistry of Compounds Containing 1-Diphenylphosphino-1′-(di-tert-butylphosphino)ferrocene (dppdtbpf)","Organometallics","2009","28","7","2119","","10.1021/om800850c","","","1.54178","CuKα","","0.0531","0.0473","","","0.1339","0.1392","","","","","","1.032","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068468","17.029","0.0009","17.1007","0.0009","20.1939","0.0011","90","","90","","90","","5880.6","0.5","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H46 N4 P2 Si3 Zr -","- C17 H46 N4 P2 Si3 Zr -","- C136 H368 N32 P16 Si24 Zr8 -","8","1","","Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate","Organometallics","2009","28","2","573","","10.1021/om8008684","","","0.71073","MoKα","","0.0407","0.0283","","","0.064","0.0712","","","","","","1.054","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068471","16.8829","0.0009","17.5894","0.001","20.3466","0.0011","90","","90","","90","","6042.1","0.6","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H51 N4 P Si3 Zr -","- C21 H51 N4 P Si3 Zr -","- C168 H408 N32 P8 Si24 Zr8 -","8","1","","Roering, Andrew J.; Maddox, Annalese F.; Elrod, L. Taylor; Chan, Stephanie M.; Ghebreab, Michael B.; Donovan, Kyle L.; Davidson, Jillian J.; Hughes, Russell P.; Shalumova, Tamila; MacMillan, Samantha N.; Tanski, Joseph M.; Waterman, Rory","General Preparation of (N3N)ZrX (N3N = N(CH2CH2NSiMe3)33−) Complexes from a Hydride Surrogate","Organometallics","2009","28","2","573","","10.1021/om8008684","","","0.71073","MoKα","","0.0603","0.032","","","0.0649","0.0746","","","","","","1.007","","","","has coordinates,has disorder","178574","2020-10-21","18:00:00",""
"4068495","17.1048","0.001","13.3897","0.001","18.552","0.002","90","","90","","90","","4248.9","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Cl2 N Ni P -","- C23 H18 Cl2 N Ni P -","- C184 H144 Cl16 N8 Ni8 P8 -","8","1","","Flapper, Jitte; Kooijman, Huub; Lutz, Martin; Spek, Anthony L.; van Leeuwen, Piet W. N. M.; Elsevier, Cornelis J.; Kamer, Paul C. J.","Nickel and Palladium Complexes of Pyridine−Phosphine Ligands as Ethene Oligomerization Catalysts","Organometallics","2009","28","4","1180","","10.1021/om800903n","","","0.71073","MoKα","","0.0307","0.0247","","","0.0584","0.0609","","","","","","1.035","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068508","16.1222","0.0019","17.089","0.002","32.257","0.004","90","","90","","90","","8887.2","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H48 Cl8 O Os P4 -","- C34 H48 Cl8 O Os P4 -","- C272 H384 Cl64 O8 Os8 P32 -","8","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping","Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex","Organometallics","2009","28","4","1101","","10.1021/om800907v","","","0.71073","MoKα","","0.0817","0.0424","","","0.0743","0.0816","","","","","","1.008","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068591","11.6306","0.001","20.3394","0.0018","26.673","0.002","90","","90","","90","","6309.7","0.9","100","2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H37 F6 Ir N5 P -","- C29 H37 F6 Ir N5 P -","- C232 H296 F48 Ir8 N40 P8 -","8","1","","Torres, Olga; Martín, Marta; Sola, Eduardo","LabileN-Heterocyclic Carbene Complexes of Iridium","Organometallics","2009","28","3","863","","10.1021/om800965y","","","0.71073","MoKα","","0.0895","0.0361","","","0.0668","0.0748","","","","","","0.803","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068640","11.243","0.004","12.036","0.004","20.389","0.007","90","","90","","90","","2759.1","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H36 S2 Si4 -","- C20 H36 S2 Si4 -","- C80 H144 S8 Si16 -","4","0.5","","Wu, Wei; Xu, Li; Shi, Jianwu; Qin, Xiling; Wang, Hua","“One-Pot” Reaction Involving Ring Formation of Silole, Thiophene Ring-Opening Alkynylation, and S−S Coupling","Organometallics","2009","28","6","1961","","10.1021/om800994x","","","0.71073","MoKα","","0.0394","0.0315","","","0.0914","0.0967","","","","","","1.018","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068655","14.568","0.0001","20.7786","0.0001","25.2384","0.0002","90","","90","","90","","7639.73","0.09","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonyl-[1-(1,3-dimesityl-terahydro-1,3,2-diazophospholenyl)- 2-(2',3',4',5'-tetraethylphospholyl)-1-imino-prop-1-en]-tungsten(0)","","- C38 H49 N3 O4 P2 W -","- C38 H49 N3 O4 P2 W -","- C304 H392 N24 O32 P16 W8 -","8","1","","Burck, Sebastian; Gudat, Dietrich; Nieger, Martin","Cleavage of Polarized P−P Bonds in N-Heterocyclic Diphosphines in Reactions with Metal Olefin Complexes","Organometallics","2009","28","5","1447","","10.1021/om801008s","","","0.71073","MoKα","","0.0329","0.0237","","","0.0573","0.0599","","","","","","1.038","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068669","16.5242","0.0002","17.2471","0.0002","18.535","0.0002","90","","90","","90","","5282.37","0.11","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","pentacarbonyl[4-bis(trimethylsilyl)methyl-5-methyl-2-phenyl- 1,3,4-oxazaphosphol-2-ene -κP)Tungsten(0)","","- C21 H28 N O6 P Si2 W -","- C21 H28 N O6 P Si2 W -","- C168 H224 N8 O48 P8 Si16 W8 -","8","1","","Helten, Holger; Pérez, Janaina Marinas; Daniels, Jörg; Streubel, Rainer","First Brønsted Acid-Induced Ring Expansion of an Oxaphosphirane Complex: A Combined Experimental and DFT Study","Organometallics","2009","28","4","1221","","10.1021/om8010245","","x-ray","0.71073","MoKα","","0.0276","0.0201","","","0.0449","0.047","","","","","","1.057","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068685","11.1269","0.0007","17.6285","0.0011","29.3704","0.0018","90","","90","","90","","5761","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H34 N O P -","- C36 H34 N O P -","- C288 H272 N8 O8 P8 -","8","1","","Wheaton, Craig A.; Ireland, Benjamin J.; Hayes, Paul G.","Activated Zinc Complexes Supported by a Neutral, Phosphinimine-Containing Ligand: Synthesis and Efficacy for the Polymerization of Lactide","Organometallics","2009","28","5","1282","","10.1021/om801034k","","","0.71073","MoKα","","0.0657","0.0486","","","0.1115","0.1202","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068710","16.5532","0.0011","14.9054","0.0011","22.7847","0.0018","90","","90","","90","","5621.7","0.7","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 O3 Si -","- C36 H30 N2 O3 Si -","- C288 H240 N16 O24 Si8 -","8","1","","Lippe, Katrin; Gerlach, Daniela; Kroke, Edwin; Wagler, Jörg","Hypercoordinate Organosilicon Complexes of an ONN′O′ Chelating Ligand: Regio- and Diastereoselectivity of Rearrangement Reactions in Si−Salphen Systems","Organometallics","2009","28","2","621","","10.1021/om801049q","","","0.71073","MoKα","","0.0813","0.0427","","","0.0942","0.1025","","","","","","0.923","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068712","18.6908","0.0004","17.3692","0.0004","19.7167","0.0005","90","","90","","90","","6400.9","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H32 N2 O4 Si -","- C40 H32 N2 O4 Si -","- C320 H256 N16 O32 Si8 -","8","1","","Lippe, Katrin; Gerlach, Daniela; Kroke, Edwin; Wagler, Jörg","Hypercoordinate Organosilicon Complexes of an ONN′O′ Chelating Ligand: Regio- and Diastereoselectivity of Rearrangement Reactions in Si−Salphen Systems","Organometallics","2009","28","2","621","","10.1021/om801049q","","","0.71073","MoKα","","0.0629","0.0389","","","0.1098","0.1205","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068726","14.7085","0.0002","25.8794","0.0003","27.7465","0.0005","90","","90","","90","","10561.6","0.3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C62.5 H61.5 Cl2 N2 O2 Zr -","- C62.5 H61.5 Cl2 N2 O2 Zr -","- C500 H492 Cl16 N16 O16 Zr8 -","8","1","","Cohen, Ad; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe","C1-Symmetric Zirconium Complexes of [ONNO′]-Type Salan Ligands: Accurate Control of Catalyst Activity, Isospecificity, and Molecular Weight in 1-Hexene Polymerization","Organometallics","2009","28","5","1391","","10.1021/om801058w","","","0.71073","MoKα","","0.0759","0.0436","","","0.0984","0.1135","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068761","8.1718","0.0005","15.3049","0.0009","25.0661","0.0016","90","","90","","90","","3135","0.3","198","2","198","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cu F3 O3 S -","- C13 H18 Cu F3 O3 S -","- C104 H144 Cu8 F24 O24 S8 -","8","1","","Bellott, Brian J.; Girolami, Gregory S.","Structures and Properties of Copper Alkene Complexes. Preorganization Effects and the Binding of Different Isomers of Cyclododecatriene to Copper Triflate","Organometallics","2009","28","7","2046","","10.1021/om801078c","","","0.71073","MoKα","","0.1322","0.0519","","","0.1404","0.1676","","","","","","0.936","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4068788","16.0309","0.0003","19.9759","0.0004","23.0604","0.0005","90","","90","","90","","7384.7","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H56 B2 Ca N8 O -","- C32 H56 B2 Ca N8 O -","- C256 H448 B16 Ca8 N64 O8 -","8","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Bis(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Studies of Catalytic Hydroamination","Organometallics","2009","28","6","1730","","10.1021/om8010933","","","0.71073","MoKα","","0.1067","0.0609","","","0.1191","0.141","","","","","","1.066","","","","has coordinates,has disorder","178577","2020-10-21","18:00:00",""
"4068831","21.962","0.002","11.9097","0.0014","21.964","0.002","90","","90","","90","","5744.9","1","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H31 F12 N3 O2 W -","- C22 H31 F12 N3 O2 W -","- C176 H248 F96 N24 O16 W8 -","8","1","","Beer, Stephan; Brandhorst, Kai; Hrib, Cristian G.; Wu, Xian; Haberlag, Birte; Grunenberg, Jörg; Jones, Peter G.; Tamm, Matthias","Experimental and Theoretical Investigations of Catalytic Alkyne Cross-Metathesis with Imidazolin-2-iminato Tungsten Alkylidyne Complexes","Organometallics","2009","28","5","1534","","10.1021/om801119t","","","0.71073","MoKα","","0.0565","0.0264","","","0.0536","0.0672","","","","","","1.131","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068852","11.598","0.0001","41.183","0.0003","17.635","0.0001","90","","90","","90","","8423.19","0.11","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 N2 P4 Pd2 S2 -","- C38 H58 N2 P4 Pd2 S2 -","- C304 H464 N16 P32 Pd16 S16 -","8","1","","Mizuta, Tsutomu; Tanaka, Nobuyuki; Iwakuni, Yukiko; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Synthesis and Reactivity of Five-Membered P(V)-Phosphapalladacycles","Organometallics","2009","28","9","2808","","10.1021/om801130f","","","0.71069","MoKα","","0.0336","0.033","","","0.0863","0.0867","","","","","","1.145","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068903","20.738","0.0001","21.022","0.0001","24.952","0.0002","90","","90","","90","","10877.9","0.11","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 B F4 N4 O2 Ru -","- C55 H74 B F4 N4 O2 Ru -","- C440 H592 B8 F32 N32 O16 Ru8 -","8","1","","Saker, Olly; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.","Sequential Formation of [Ru(IPr)2(CO)H(OH2)]+and [Ru(IPr)(η6-C6H6)(CO)H]+upon Protonation of Ru(IPr)2(CO)H(OH) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2009","28","6","1976","","10.1021/om801150v","","","0.71073","MoKα","","0.0531","0.0335","","","0.0846","0.0945","","","","","","1.041","","","","has coordinates,has disorder","178579","2020-10-21","18:00:00",""
"4068984","16.168","0.003","20.182","0.007","21.656","0.009","90","","90","","90","","7066","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H62 B2 O P2 Pb Si4 -","- C22 H62 B2 O P2 Pb Si4 -","- C176 H496 B16 O8 P16 Pb8 Si32 -","8","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Seven-Membered Cyclic Dialkylstannylene and -Plumbylene Compounds Stabilized by Agostic-type B−H···E Interactions [E = Sn, Pb]","Organometallics","2009","28","7","2211","","10.1021/om801189h","","","0.71073","MoKα","","0.0718","0.0302","","","0.0493","0.0623","","","","","","1.053","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4069030","20.6532","0.0002","14.3925","0.0002","22.6067","0.0003","90","","90","","90","","6719.87","0.14","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C38 H45 O Si Ti -","- C38 H45 O Si Ti -","- C304 H360 O8 Si8 Ti8 -","8","1","","Varga, Vojtech; Císařová, Ivana; Gyepes, Róbert; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Evaluation of the Oxygen π-Donation in Permethyltitanocene Silanolates and Alcoholates","Organometallics","2009","28","6","1748","","10.1021/om801209f","","","0.71073","MoKα","","0.0659","0.0422","","","0.1026","0.1168","","","","","","1.035","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069046","17.9155","0.0002","16.2092","0.0003","33.7381","0.0005","90","","90","","90","","9797.4","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H24.5 B F24.5 Fe N O2 -","- C49 H24.5 B F24.5 Fe N O2 -","- C392 H196 B8 F196 Fe8 N8 O16 -","8","1","","Pierce, Glesni A.; Vidovic, Dragoslav; Kays, Deborah L.; Coombs, Natalie D.; Thompson, Amber L.; Jemmis, Eluvathingal D.; De, Susmita; Aldridge, Simon","Half-Sandwich Group 8 Borylene Complexes: Synthetic and Structural Studies and Oxygen Atom Abstraction Chemistry","Organometallics","2009","28","10","2947","","10.1021/om801215b","","","0.71073","MoKα","","0.1229","0.0657","","","0.1599","0.1883","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069095","15.389","0.003","12.589","0.002","31.151","0.006","90","","90","","90","","6034.9","1.9","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H51 F6 Ni O P3 -","- C24 H51 F6 Ni O P3 -","- C192 H408 F48 Ni8 O8 P24 -","8","1","","Curley, John J.; Kitiachvili, Kristina D.; Waterman, Rory; Hillhouse, Gregory L.","Sequential Insertion Reactions of Carbon Monoxide and Ethylene into the Ni−C Bond of a Cationic Nickel(II) Alkyl Complex","Organometallics","2009","28","8","2568","","10.1021/om900023y","","","0.71073","MoKα","","0.0918","0.0602","","","0.1065","0.1175","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069106","12.023","0.002","14.893","0.003","15.451","0.003","90","","90","","90","","2766.6","0.9","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","intermediate (R,S)-4","","","- C16 H16 O2 P -","- C16 H16 O2 P -","- C128 H128 O16 P8 -","8","1","","Ranocchiari, Marco; Mezzetti, Antonio","PNNP Macrocycles: A New Class of Ligands for Asymmetric Catalysis","Organometallics","2009","28","5","1286","","10.1021/om900028w","","","0.71073","MoKα","","0.103","0.0593","","","0.1092","0.1251","","","","","","1.004","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069144","24.3432","0.0005","10.3495","0.0005","27.6545","0.0006","90","","90","","90","","6967.3","0.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","BSWV014_5","BSWV014_5","","- C17 H30 N2 Pt -","- C17 H30 N2 Pt -","- C272 H480 N32 Pt16 -","16","2","","Scheuermann, Margaret L.; Rheingold, Arnold L.; Williams, B. Scott","Reversible Carbonylation of an [NCN]PtMe Pincer Complex and Direct Evidence of Alkyl Migration","Organometallics","2009","28","6","1613","","10.1021/om900050p","","","0.71073","MoKα","","0.1064","0.0582","","","0.1275","0.1493","","","","","","1.005","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069179","10.333","0.001","18.871","0.001","43.48","0.001","90","","90","","90","","8478.3","1","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H58 P2 Pt Si4 -","- C38 H58 P2 Pt Si4 -","- C304 H464 P16 Pt8 Si32 -","8","1","","Blug, Matthias; Le Goff, Xavier-Frederic; Mézailles, Nicolas; Le Floch, Pascal","A 14-VE Platinum(0) Phosphabarrelene Complex in the Hydrosilylation of Alkynes","Organometallics","2009","28","8","2360","","10.1021/om900067f","","","0.71069","MoKα","","0.0773","0.0372","","","0.0689","0.0827","","","","","","0.995","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069234","15.424","0.003","14.16","0.003","20.899","0.004","90","","90","","90","","4564.4","1.6","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H23 Br3 O Si Ti2 -","- C20 H23 Br3 O Si Ti2 -","- C160 H184 Br24 O8 Si8 Ti16 -","8","1","","Luo, Shuang; Shen, Bo; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis, Structures, and Polymerization Catalytic Properties of Doubly Bridged Bis(cyclopentadienyl) Dinuclear (μ-Oxo)titanium Complexes","Organometallics","2009","28","10","3109","","10.1021/om900089w","","","0.71073","MoKα","","0.0789","0.0607","","","0.1278","0.1358","","","","","","1.143","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069243","13.825","0.005","7.234","0.003","14.469","0.005","90","","90","","90","","1447","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 F2 O2 -","- C8 H6 F2 O2 -","- C64 H48 F16 O16 -","8","1","","Buckley, Heather L.; Wang, Tongen; Tran, Olivia; Love, Jennifer A.","Selective Platinum-Catalyzed C−F Bond Activation as a Route to Fluorinated Aryl Methyl Ethers","Organometallics","2009","28","8","2356","","10.1021/om900100f","","","0.71073","MoKα","","0.0617","0.0414","","","0.098","0.1135","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4069285","11.12668","0.00015","19.9661","0.0004","30.5895","0.0004","90","","90","","90","","6795.65","0.19","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Hf Si4 -","- C30 H46 Hf Si4 -","- C240 H368 Hf8 Si32 -","8","1","","Burlakov, Vladimir V.; Beweries, Torsten; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Petrovskii, Pavel V.; Spannenberg, Anke; Lyssenko, Konstantin A.; Shur, Vladimir B.; Rosenthal, Uwe","Synthesis and Isolation of Di-n-butylhafnocene and Its Application as a Versatile Starting Material for the Synthesis of New Hafnacycles","Organometallics","2009","28","9","2864","","10.1021/om900122w","","","0.71073","MoKα","","0.0298","0.0195","","","0.0429","0.0446","","","","","","0.925","","","","has coordinates,has disorder","178581","2020-10-21","18:00:00",""
"4069301","8.8346","0.0003","17.5078","0.0007","35.1424","0.0014","90","","90","","90","","5435.6","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H46 N2 Zr -","- C29 H46 N2 Zr -","- C232 H368 N16 Zr8 -","8","1","","Epshteyn, Albert; Trunkely, Emily F.; Kissounko, Denis A.; Fettinger, James C.; Sita, Lawrence R.","Experimental Modeling of Selective Alkene Oligomerization: Evidence for Facile Metallacyclopentane Dehydrogenation Mediated by a Transannular β-Hydrogen Agostic Interaction","Organometallics","2009","28","8","2520","","10.1021/om900132u","","","0.71073","MoKα","","0.0496","0.0307","","","0.0729","0.0799","","","","","","1.053","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069307","18.2607","0.0014","16.5765","0.0012","18.3346","0.0014","90","","90","","90","","5549.9","0.7","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H50 N2 Th -","- C29 H50 N2 Th -","- C232 H400 N16 Th8 -","8","1","","Evans, William J.; Walensky, Justin R.; Ziller, Joseph W.; Rheingold, Arnold L.","Insertion of Carbodiimides and Organic Azides into Actinide−Carbon Bonds","Organometallics","2009","28","12","3350","","10.1021/om900135e","","","0.71073","MoKα","","0.0356","0.0195","","","0.0408","0.0469","","","","","","1.064","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069308","16.5291","0.0012","18.1347","0.0014","18.3817","0.0014","90","","90","","90","","5509.9","0.7","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H50 N2 U -","- C29 H50 N2 U -","- C232 H400 N16 U8 -","8","1","","Evans, William J.; Walensky, Justin R.; Ziller, Joseph W.; Rheingold, Arnold L.","Insertion of Carbodiimides and Organic Azides into Actinide−Carbon Bonds","Organometallics","2009","28","12","3350","","10.1021/om900135e","","","0.71073","MoKα","","0.0336","0.0233","","","0.056","0.0617","","","","","","1.051","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069371","24.014","0.006","31.496","0.008","35.049","0.009","90","","90","","90","","26509","12","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C100 H92 Cl8 F12 Ir4 N8 O16 S4 -","- C100 H92 Cl8 F12 Ir4 N8 O16 S4 -","- C800 H736 Cl64 F96 Ir32 N64 O128 S32 -","8","1","","Jia, Wei-Guo; Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Jin, Guo-Xin","Stepwise Formation of Half-Sandwich Iridium-Based Rectangles Containing 2,5-Diarylamino-1,4-benzoquinone Derivatives Linkers","Organometallics","2009","28","12","3459","","10.1021/om900160t","","","0.71073","MoKα","","0.1845","0.0993","","","0.2493","0.2833","","","","","","0.885","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069372","24.131","0.017","31.7","0.02","35.12","0.02","90","","90","","90","","26865","3","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C100 H92 Br4 Cl4 F12 Ir4 N8 O16 S4 -","- C100 H92 Br4 Cl4 F12 Ir4 N8 O16 S4 -","- C800 H736 Br32 Cl32 F96 Ir32 N64 O128 S32 -","8","1","","Jia, Wei-Guo; Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Jin, Guo-Xin","Stepwise Formation of Half-Sandwich Iridium-Based Rectangles Containing 2,5-Diarylamino-1,4-benzoquinone Derivatives Linkers","Organometallics","2009","28","12","3459","","10.1021/om900160t","","","0.71073","MoKα","","0.172","0.0807","","","0.1795","0.2109","","","","","","0.872","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069535","12.6706","0.0003","9.6392","0.0002","17.766","0.0004","90","","90","","90","","2169.84","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H11 Br2 N Pt -","- C8 H11 Br2 N Pt -","- C64 H88 Br16 N8 Pt8 -","8","1","","Dub, Pavel A.; Rodriguez-Zubiri, Mireia; Daran, Jean-Claude; Brunet, Jean-Jacques; Poli, Rinaldo","Platinum-Catalyzed Ethylene Hydroamination with Aniline: Synthesis, Characterization, and Studies of Intermediates","Organometallics","2009","28","16","4764","","10.1021/om9002494","","","0.71073","MoKα","","0.0638","0.0491","","","0.155","0.1771","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069570","15.8426","0.0009","16.7783","0.001","20.2915","0.0012","90","","90","","90","","5393.7","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Cr O4 P2 -","- C30 H24 Cr O4 P2 -","- C240 H192 Cr8 O32 P16 -","8","1","","Dulai, Arminderjit; de Bod, Henriëtte; Hanton, Martin J.; Smith, David M.; Downing, Stephen; Mansell, Stephen M.; Wass, Duncan F.","C-Substituted Bis(diphenylphosphino)methane-Type Ligands for Chromium-Catalyzed Selective Ethylene Oligomerization Reactions","Organometallics","2009","28","15","4613","","10.1021/om900285e","","","0.71073","MoKα","","0.084","0.0453","","","0.0849","0.0973","","","","","","0.97","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069626","9.2523","0.0008","17.8946","0.0013","24.368","0.0017","90","","90","","90","","4034.5","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H33 N O2 W -","- C20 H33 N O2 W -","- C160 H264 N8 O16 W8 -","8","1","","Semproni, Scott P.; Graham, Peter M.; Buschhaus, Miriam S. A.; Patrick, Brian O.; Legzdins, Peter","Toward Alkane Functionalization Effected with Cp*W(NO)(alkyl)(η3-allyl) Complexes","Organometallics","2009","28","15","4480","","10.1021/om900307p","","","0.71073","MoKα","","0.0464","0.0264","","","0.0574","0.0666","","","","","","1.043","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069651","13.86","0.003","15.713","0.003","18.749","0.004","90","","90","","90","","4083.2","1.5","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H25 Cl O2 Ru -","- C22 H25 Cl O2 Ru -","- C176 H200 Cl8 O16 Ru8 -","8","1","","Xu, Kun; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Reactions of Dihydrooctamethyl-s-indacene and 1,2,3,4,7-Pentamethylindene with Ru3(CO)12: Intramolecular sp3C−H Activation","Organometallics","2009","28","15","4438","","10.1021/om900337h","","","0.71073","MoKα","","0.0786","0.0595","","","0.1389","0.1512","","","","","","1.069","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069677","13.2123","0.0011","16.6245","0.0014","23.926","0.002","90","","90","","90","","5255.3","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H27 Cl3 N3 O2 Rh -","- C26 H27 Cl3 N3 O2 Rh -","- C208 H216 Cl24 N24 O16 Rh8 -","8","1","","Yadav, Mahendra; Singh, Ashish Kumar; Pandey, Daya Shankar","First Examples of Heteroleptic Dipyrrin/η5-Pentamethylcyclopentadienyl Rhodium/Iridium(III) Complexes and Their Catalytic Activity","Organometallics","2009","28","16","4713","","10.1021/om900349v","","","0.71073","MoKα","","0.044","0.0385","","","0.0969","0.1013","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069686","33.7082","0.001","10.004","0.0003","37.0802","0.0017","90","","90","","90","","12504.1","0.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H36 Cl3 N2 O2 P Ru -","- C31 H32 Cl3 N2 O2 P Ru -","- C496 H512 Cl48 N32 O32 P16 Ru16 -","16","2","","Gandolfi, Claudio; Heckenroth, Marion; Neels, Antonia; Laurenczy, Gábor; Albrecht, Martin","Chelating NHC Ruthenium(II) Complexes as Robust Homogeneous Hydrogenation Catalysts","Organometallics","2009","28","17","5112","","10.1021/om900356w","","","0.71073","MoKα","","0.1083","0.0724","","","0.1845","0.2015","","","","","","1.074","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069692","13.6056","0.0002","15.4198","0.0002","17.3531","0.0003","90","","90","","90","","3640.6","0.1","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N2 Zr -","- C18 H24 Cl2 N2 Zr -","- C144 H192 Cl16 N16 Zr8 -","8","1","","Tumay, Tülay Aslı; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Synthesis of an Amino-Functionalizedansa-Zirconocene by Intramolecular Photochemical Enamine [2+2]Cycloaddition","Organometallics","2009","28","15","4513","","10.1021/om9003576","","","0.71073","MoKα","","0.0576","0.0342","","","0.0728","0.0817","","","","","","1.02","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069767","20.7811","0.0004","21.3554","0.0004","22.55","0.0005","90","","90","","90","","10007.4","0.3","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H40 Cl2 Fe2 O5 P2 S2 -","- C53 H38 Fe2 O5 P2 S2 -","- C424 H304 Fe16 O40 P16 S16 -","8","1","","Royer, Aaron M.; Rauchfuss, Thomas B.; Gray, Danielle L.","Oxidative Addition of Thioesters to Iron(0): Active-Site Models for Hmd, Nature’s Third Hydrogenase","Organometallics","2009","28","13","3618","","10.1021/om9004059","","","0.71073","MoKα","","0.0785","0.0363","","","0.0639","0.0707","","","","","","0.85","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069769","16.303","0.003","15.896","0.003","18.185","0.004","90","","90","","90","","4712.7","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl N O3 P2 Ru -","- C18 H32 Cl N O3 P2 Ru -","- C144 H256 Cl8 N8 O24 P16 Ru8 -","8","1","","Salem, Hiyam; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Formation of Stabletrans-Dihydride Ruthenium(II) and 16-Electron Ruthenium(0) Complexes Based on Phosphinite PONOP Pincer Ligands. Reactivity toward Water and Electrophiles","Organometallics","2009","28","16","4791","","10.1021/om9004077","","","0.71073","MoKα","","0.0567","0.0356","","","0.0685","0.0735","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069806","17.378","0.003","14.1396","0.0018","18.736","0.003","90","","90","","90","","4603.8","1.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Cl2 Fe N P Pd -","- C24 H24 Cl2 Fe N P Pd -","- C192 H192 Cl16 Fe8 N8 P8 Pd8 -","8","1","","Metallinos, Costa; Zaifman, Josh; Van Belle, Lori; Dodge, Laura; Pilkington, Melanie","Palladium(II), Platinum(II), and Iridium(I) Complexes of 2-Phosphino-1-dimethylaminoferrocenes: A Survey of Structure and Catalysis","Organometallics","2009","28","15","4534","","10.1021/om900422t","","","0.71073","MoKα","","0.0411","0.0324","","","0.0831","0.0888","","","","","","1.055","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069819","8.193","0.01","17.064","0.017","22.8","0.03","90","","90","","90","","3188","7","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H16 I2 N2 -","- C13 H16 I2 N2 -","- C104 H128 I16 N16 -","8","1","","Nagai, Yusuke; Kochi, Takuya; Nozaki, Kyoko","Synthesis of N-Heterocyclic Carbene-Sulfonate Palladium Complexes","Organometallics","2009","28","20","6131","","10.1021/om9004252","","","0.7107","MoKα","","0.0529","0.0499","","","0.1311","0.1362","","","","","","1.065","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069825","16.9705","0.0016","15.8089","0.0015","23.901","0.002","90","","90","","90","","6412.3","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H43 N5 O Ti -","- C36 H43 N5 O Ti -","- C288 H344 N40 O8 Ti8 -","8","1","","Weitershaus, Katharina; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","Reactions of Titanium Hydrazinediido Complexes with Unsaturated Organic Substrates","Organometallics","2009","28","16","4747","","10.1021/om900428d","","x-ray","0.71073","MoKα","","0.0813","0.0448","","","0.1048","0.1376","","","","","","1.136","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069884","14.1972","0.0014","10.9105","0.0011","36.276","0.004","90","","90","","90","","5619.1","1","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H31 B Cl3 F3 N2 O3 S -","- C25 H31 B Cl3 F3 N2 O3 S -","- C200 H248 B8 Cl24 F24 N16 O24 S8 -","8","1","","Matsumoto, Takeshi; Gabbaï, François P.","A Borenium Cation Stabilized by an N-Heterocyclic Carbene Ligand","Organometallics","2009","28","15","4252","","10.1021/om900476g","","","0.71073","MoKα","","0.0787","0.0725","","","0.1546","0.1581","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070009","20.028","0.002","19.667","0.002","22.925","0.003","90","","90","","90","","9029.9","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H61 Cu N4 -","- C52 H61 Cu N4 -","- C416 H488 Cu8 N32 -","8","1","","Iluc, Vlad M.; Laskowski, Carl A.; Hillhouse, Gregory L.","Synthesis of Bis(phosphine) and N-Heterocyclic Carbene Supported α- Diazoalkyl Complexes of Copper(I)","Organometallics","2009","28","20","6135","","10.1021/om900566k","","","0.71073","MoKα","","0.0584","0.0414","","","0.0973","0.1016","","","","","","0.929","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070016","11.447","0.002","10.947","0.002","35.508","0.007","90","","90","","90","","4449.5","1.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl2 N O Pd Se2 -","- C19 H17 Cl2 N O Pd Se2 -","- C152 H136 Cl16 N8 O8 Pd8 Se16 -","8","1","","Das, Dipanwita; Rao, G. K.; Singh, Ajai K.","Palladium(II) Complexes of the First Pincer (Se,N,Se) Ligand, 2,6-Bis((phenylseleno)methyl)pyridine (L): Solvent-Dependent Formation of [PdCl(L)]Cl and Na[PdCl(L)][PdCl4] and High Catalytic Activity for the Heck Reaction","Organometallics","2009","28","20","6054","","10.1021/om900570g","","","0.71073","MoKα","","0.0665","0.0452","","","0.1157","0.1241","","","","","","1.128","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070018","13.699","0.003","21.795","0.004","29.394","0.006","90","","90","","90","","8776","3","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Fe2 O7 Se2 -","- C9 H6 Fe2 O7 Se2 -","- C216 H144 Fe48 O168 Se48 -","24","3","","Song, Li-Cheng; Gao, Wei; Feng, Cui-Ping; Wang, De-Fu; Hu, Qing-Mei","Investigations on Synthesis, Structure, and Properties of New Butterfly [2Fe2Se] Cluster Complexes Relevant to Active Sites of Some Hydrogenases","Organometallics","2009","28","20","6121","","10.1021/om900572t","","","0.71073","MoKα","","0.0498","0.0372","","","0.0798","0.0861","","","","","","1.046","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070059","12.718","0.003","13.779","0.003","31.857","0.006","90","","90","","90","","5583","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H25 Mo O3 P -","- C34 H25 Mo O3 P -","- C272 H200 Mo8 O24 P8 -","8","1","","Yan, Xiaoyu; Yu, Bingran; Wang, Lan; Tang, Ning; Xi, Chanjuan","Reactivity of [(2-Phosphino)ethenyl]zirconocene Chloride toward CpM(CO)3Cl (M = Mo, W): Formation of [(3-Phosphino)propenoyl]dicarbonyl(cyclopentadienyl)metal, {CpM(CO)2[(CO)CR═CRPPh2]}","Organometallics","2009","28","23","6827","","10.1021/om900595w","","","0.71073","MoKα","","","0.0386","","","0.1094","0.1143","","","","","","1.148","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070060","12.653","0.003","13.805","0.003","31.852","0.006","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H27 Cl0 O3 P W -","- C35 H27 O3 P W -","- C280 H216 O24 P8 W8 -","8","1","","Yan, Xiaoyu; Yu, Bingran; Wang, Lan; Tang, Ning; Xi, Chanjuan","Reactivity of [(2-Phosphino)ethenyl]zirconocene Chloride toward CpM(CO)3Cl (M = Mo, W): Formation of [(3-Phosphino)propenoyl]dicarbonyl(cyclopentadienyl)metal, {CpM(CO)2[(CO)CR═CRPPh2]}","Organometallics","2009","28","23","6827","","10.1021/om900595w","","","0.71073","MoKα","","","0.0549","","","0.1053","0.1106","","","","","","1.348","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070075","19.3458","0.0011","19.1334","0.0011","22.8051","0.0012","90","","90","","90","","8441.3","0.8","150","","150","1","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C33 H30 Mo2 O13 P2 S3 W3 -","- C33 H30 Mo2 O13 P2 S3 W3 -","- C264 H240 Mo16 O104 P16 S24 W24 -","8","1","","Gröger, Christian; Kubicki, Marek M.; Meier, Walter; Pronold, Michael; Wachter, Joachim; Zabel, Manfred","Isomerism and Ligand Rearrangement within thecyclo-P2S3Middle Deck in Dimolybdenum Triple-Decker Complexes","Organometallics","2009","28","19","5633","","10.1021/om900600t","","x-ray","0.71073","MoKα","","0.0675","0.032","","","0.0411","0.0456","","","","","","0.929","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070094","13.349","0.0018","16.51","0.003","25.716","0.004","90","","90","","90","","5667.6","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H33 N2 P S2 -","- C32 H33 N2 P S2 -","- C256 H264 N16 P8 S16 -","8","1","","Ménard, Gabriel; Jong, Howard; Fryzuk, Michael D.","Synthesis and Characterization of a New Thiophene-Bridged Diamidophosphine [NPN] Donor Set and Its Coordination Chemistry with Zirconium(IV): Unexpected Deprotonation−Lithiation Sequence with a Mesitylaminothiophene Precursor","Organometallics","2009","28","17","5253","","10.1021/om900612n","","","0.71073","MoKα","","0.0575","0.0373","","","0.0949","0.107","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070135","20.593","0.004","21.515","0.004","23.63","0.005","90","","90","","90","","10469","4","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48.72 H75.44 Cl3.12 N4 O3.29 Pd -","- C48.723 H75.446 Cl3.158 N4 O3.286 Pd -","- C389.784 H603.568 Cl25.264 N32 O26.288 Pd8 -","8","1","","Kong, Yong; Ren, Hongping; Xu, Shansheng; Song, Haibin; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Palladium Complexes","Organometallics","2009","28","20","5934","","10.1021/om900625r","","","0.71073","MoKα","","0.0448","0.0373","","","0.0923","0.0981","","","","","","1.027","","","","has coordinates,has disorder","178590","2020-10-21","18:00:00",""
"4070166","14.314","0.002","14.844","0.002","27.886","0.004","90","","90","","90","","5925.1","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H38 B2 F4 N7 Os P -","- C25 H38 B2 F4 N7 Os P -","- C200 H304 B16 F32 N56 Os8 P8 -","8","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; Fuertes, Sara; López, Ana M.; Mozo, Silvia; Oñate, Enrique","Olefin−Alkylidene Equilibrium of 2-Vinylpyridine in Osmium- and Ruthenium-Hydrido-Tris(pyrazolyl)borate and Osmium-Cyclopentadienyl Complexes","Organometallics","2009","28","20","5941","","10.1021/om900635p","","","0.71073","MoKα","","0.0903","0.0552","","","0.1014","0.1124","","","","","","1.034","","","","has coordinates,has disorder","178590","2020-10-21","18:00:00",""
"4070194","9.626","0.003","20.068","0.006","27.951","0.009","90","","90","","90","","5399","3","103.15","","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H29 B N2 P2 -","- C32 H29 B N2 P2 -","- C256 H232 B8 N16 P16 -","8","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to Iridium−Ethylene Complexes","Organometallics","2009","28","21","6234","","10.1021/om9006455","","","0.7107","MoKα","","0.0891","0.0863","","","0.1943","0.1963","","","","","","1.28","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070219","16.311","0.001","17.109","0.001","19.404","0.001","90","","90","","90","","5415","0.5","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H74 Cl6 P2 Pd -","- C52 H74 Cl6 P2 Pd -","- C208 H296 Cl24 P8 Pd4 -","4","0.5","","Houdard, Romaric; Mézailles, Nicolas; Le Goff, Xavier-Frederic; Le Floch, Pascal","Platinum(0)-Catalyzed Intramolecular Addition of a C−H Bond onto the P═C Bond of a Phosphaalkene","Organometallics","2009","28","20","5952","","10.1021/om9006664","","","0.71069","MoKα","","0.0985","0.0444","","","0.1051","0.1207","","","","","","0.918","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070222","17.9836","0.0016","9.9233","0.0009","33.946","0.003","90","","90","","90","","6057.9","0.9","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H36 Br2 N4 Pd -","- C30 H36 Br2 N4 Pd -","- C240 H288 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.1262","0.0609","","","0.1206","0.1399","","","","","","1.005","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070223","18.13","0.0007","9.819","0.0004","34.3077","0.0013","90","","90","","90","","6107.4","0.4","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Br2 N4 Pd -","- C30 H34 Br2 N4 Pd -","- C240 H272 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.0652","0.0402","","","0.092","0.1007","","","","","","1.021","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070226","16.6724","0.0009","16.7849","0.0009","26.3598","0.0013","90","","90","","90","","7376.6","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H44 Br2 Cl2.25 N4 Pd -","- C35 H43.6 Br2 Cl2.2 N4 Pd -","- C280 H348.8 Br16 Cl17.6 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.0453","0.0329","","","0.0835","0.089","","","","","","1.058","","","","has coordinates,has disorder","178591","2020-10-21","18:00:00",""
"4070227","16.8072","0.0008","16.9378","0.0008","26.067","0.0012","90","","90","","90","","7420.7","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H46 Br2 Cl2 N4 Pd -","- C35 H46 Br2 Cl2 N4 Pd -","- C280 H368 Br16 Cl16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.0425","0.0308","","","0.0753","0.0796","","","","","","1.055","","","","has coordinates,has disorder","178591","2020-10-21","18:00:00",""
"4070229","9.0856","0.0004","19.9676","0.0008","29.0609","0.0012","90","","90","","90","","5272.2","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Br2 N4 Pd -","- C24 H32 Br2 N4 Pd -","- C192 H256 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An","13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II)","Organometallics","2009","28","18","5395","","10.1021/om900667d","","","0.71073","MoKα","","0.1182","0.0707","","","0.177","0.2007","","","","","","1.071","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070245","10.7763","0.0003","11.292","0.0003","31.2541","0.0008","90","","90","","90","","3803.19","0.18","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H24 F3 Ge N O3 S -","- C14 H24 F3 Ge N O3 S -","- C112 H192 F24 Ge8 N8 O24 S8 -","8","1","","Karnezis, Asimo; O’Hair, Richard A.J.; White, Jonathan M.","Carbon−Germanium Hyperconjugation: Solid-State and Gas-Phase Investigations of (Trialkylgermyl)methyl-Substituted Pyridinium Ions","Organometallics","2009","28","22","6480","","10.1021/om900681m","","","1.54184","CuKα","","0.0498","0.0442","","","0.1265","0.1305","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070317","14.3915","0.0001","18.0601","0.0001","17.2583","0.0001","90","","90","","90","","4485.64","0.05","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Y -","- C18 H39 Al2 Y -","- C144 H312 Al16 Y8 -","8","1","","Dietrich, H. Martin; Törnroos, Karl W.; Herdtweck, Eberhardt; Anwander, Reiner","Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth Metal Half-Sandwich and Metallocene Complexes","Organometallics","2009","28","23","6739","","10.1021/om9007168","","","0.71073","MoKα","","0.0409","0.0301","","","0.0624","0.0667","","","","","","1.117","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070318","17.1263","0.0009","14.3338","0.0008","18.0172","0.0009","90","","90","","90","","4423","0.4","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Ga2 Y -","- C18 H39 Ga2 Y -","- C144 H312 Ga16 Y8 -","8","1","","Dietrich, H. Martin; Törnroos, Karl W.; Herdtweck, Eberhardt; Anwander, Reiner","Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth Metal Half-Sandwich and Metallocene Complexes","Organometallics","2009","28","23","6739","","10.1021/om9007168","","","0.71073","MoKα","","0.0324","0.0217","","","0.054","0.0591","","","","","","1.048","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070336","11.0446","0.0014","15.6598","0.0013","17.0855","0.0017","90","","90","","90","","2955","0.5","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H42 As2 O8 -","- C26 H42 As2 O8 -","- C104 H168 As8 O32 -","4","0.5","","Arita, Manabu; Naka, Kensuke; Morisaki, Yasuhiro; Nakahashi, Akiko; Chujo, Yoshiki","Synthesis and Characterization of Stereoisomers of 1,4-Dihydro-1,4-diarsinines","Organometallics","2009","28","20","6109","","10.1021/om900727c","","","0.71075","MoKα","","0.0649","0.0394","","","0.0776","0.0834","","","","","","1.021","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070365","14.0707","0.0011","14.9379","0.0012","17.0864","0.0014","90","","90","","90","","3591.3","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 P -","- C16 H24 Co F6 P -","- C128 H192 Co8 F48 P8 -","8","1","","Ylijoki, Kai E. O.; Witherell, Ross D.; Kirk, Andrew D.; Böcklein, Sebastian; Lofstrand, Verner A.; McDonald, Robert; Ferguson, Michael J.; Stryker, Jeffrey M.","Synthesis, Structure, and Reactivity of Alkyl-Substituted Half-Sandwich η5-Pentadienyl Complexes of Cobalt","Organometallics","2009","28","23","6807","","10.1021/om900754h","","","0.71073","MoKα","","0.0687","0.0438","","","0.1077","0.1257","","","","","","1.041","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4070385","15.113","0.01","17.835","0.012","18.047","0.012","90","","90","","90","","4864","6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Zirconium Amdie Cylic O complex","","- C28 H81 N6 O2 Si8 Zr2 -","- C28 H82 N6 O2 Si8 Zr2 -","- C112 H328 N24 O8 Si32 Zr8 -","4","0.5","","Yu, Xianghua; Chen, Xue-Tai; Xue, Zi-Ling","Reactions of Oxygen with Metallaheterocyclic Alkyl Amide Complexes. Selective Insertion of Oxygen into Metal−Carbon Bonds","Organometallics","2009","28","23","6642","","10.1021/om900773w","","","0.71073","MoKα","","0.1079","0.0441","","","0.103","0.1521","","","","","","0.921","","","","has coordinates","270822","2021-11-23","08:35:15",""
"4070387","15.09","0.004","17.812","0.005","18.071","0.005","90","","90","","90","","4857","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8.62 H25.23 Hf0.62 N1.85 O0.62 Si2.46 -","- C8.61538 H25.2308 Hf0.615385 N1.84615 O0.615385 Si2.46154 -","- C112 H328 Hf8 N24 O8 Si32 -","13","1.625","","Yu, Xianghua; Chen, Xue-Tai; Xue, Zi-Ling","Reactions of Oxygen with Metallaheterocyclic Alkyl Amide Complexes. Selective Insertion of Oxygen into Metal−Carbon Bonds","Organometallics","2009","28","23","6642","","10.1021/om900773w","","","0.71073","MoKα","","0.0361","0.0309","","","0.0776","0.0826","","","","","","1.043","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070389","17.2032","0.0003","14.66","0.0008","22.3736","0.001","90","","90","","90","","5642.6","0.4","150","1","150","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H35 Cl F6 N3 O P Ru -","- C25 H35 Cl F6 N3 O P Ru -","- C200 H280 Cl8 F48 N24 O8 P8 Ru8 -","8","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Transmetalation of a Primary Amino-Functionalized N-Heterocyclic Carbene Ligand from an Axially Chiral Square-Planar Nickel(II) Complex to a Ruthenium(II) Precatalyst for the Transfer Hydrogenation of Ketones","Organometallics","2009","28","23","6755","","10.1021/om9007746","","","0.71073","MoKα","","0.1312","0.0559","","","0.1264","0.1602","","","","","","1","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4070399","14.111","0.0014","18.7165","0.0018","22.883","0.002","90","","90","","90","","6043.6","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Ni2 -","- C56 H76 Cl8 N4 Ni2 -","- C224 H304 Cl32 N16 Ni8 -","4","0.5","","Laskowski, Carl A.; Hillhouse, Gregory L.","Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides","Organometallics","2009","28","20","6114","","10.1021/om900783u","","","0.71073","MoKα","","0.0486","0.0373","","","0.0801","0.0827","","","","","","1","","","","has coordinates","178592","2020-10-21","18:00:00",""
"4070400","14.3647","0.0016","20.944","0.002","21.453","0.002","90","","90","","90","","6454.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Cl2 N2 Ni P -","- C30 H45 Cl2 N2 Ni P -","- C240 H360 Cl16 N16 Ni8 P8 -","8","1","","Laskowski, Carl A.; Hillhouse, Gregory L.","Group-Transfer Reactions of Ni(II)−Ni(II) Bridging Imido Complexes. Catalytic Formation of Carbodiimides and Isocyanates via Nitrene Transfer from Organoazides","Organometallics","2009","28","20","6114","","10.1021/om900783u","","","0.71073","MoKα","","0.0688","0.0514","","","0.1326","0.1385","","","","","","1.001","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070414","15.7995","0.0009","9.7465","0.0006","34.893","0.002","90","","90","","90","","5373.2","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H29 F6 Fe N2 O P -","- C27 H29 F6 Fe N2 O P -","- C216 H232 F48 Fe8 N16 O8 P8 -","8","1","","Coe, Benjamin J.; Docherty, Rebecca J.; Foxon, Simon P.; Harper, Elizabeth C.; Helliwell, Madeleine; Raftery, James; Clays, Koen; Franz, Edith; Brunschwig, Bruce S.","Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors","Organometallics","2009","28","24","6880","","10.1021/om9007955","","","0.71073","MoKα","","0.1043","0.0721","","","0.1686","0.1868","","","","","","1.05","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070515","19.621","0.005","22.168","0.005","23.948","0.005","90","0.005","90","0.005","90","0.005","10416","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H32 O6 P2 Ru3 Te4 -","- C43 H32 O6 P2 Ru3 Te4 -","- C344 H256 O48 P16 Ru24 Te32 -","8","1","","Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward","Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands","Organometallics","2008","27","7","1550","","10.1021/om701042s","","","0.71069","MoKα","","0.082","0.0528","","","0.1325","0.1512","","","","","","1.032","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070538","15.1641","0.0012","17.782","0.0015","20.8018","0.0017","90","","90","","90","","5609.2","0.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Fe I2 N2 O Si2 U -","- C20 H34 Fe I2 N2 O Si2 U -","- C160 H272 Fe8 I16 N16 O8 Si16 U8 -","8","1","","Monreal, Marisa J.; Diaconescu, Paula L.","A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands","Organometallics","2008","27","8","1702","","10.1021/om700541u","","","0.71073","MoKα","","0.041","0.022","","","0.0395","0.0445","","","","","","1.017","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070561","25.1934","0.0011","23.1439","0.0015","21.3284","0.0007","90","","90","","90","","12436","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 K La N3 O11 S6 -","- C55 H75 K La N3 O11 S6 -","- C440 H600 K8 La8 N24 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.122","0.0994","","","0.2862","0.3071","","","","","","1.054","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070562","25.1464","0.0019","23.1691","0.0011","21.3386","0.0016","90","","90","","90","","12432.3","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 Ce K N3 O11 S6 -","- C55 H75 Ce K N3 O11 S6 -","- C440 H600 Ce8 K8 N24 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.1903","0.104","","","0.2796","0.3236","","","","","","1.054","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070563","25.0619","0.0013","23.1566","0.0007","21.2957","0.0011","90","","90","","90","","12358.9","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 K N3 Nd O11 S6 -","- C55 H75 K N3 Nd O11 S6 -","- C440 H600 K8 N24 Nd8 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.1516","0.0964","","","0.2784","0.3071","","","","","","1.098","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070590","19.2495","0.0011","16.5177","0.0009","19.7412","0.0011","90","","90","","90","","6276.9","0.6","187","2","187","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cl2 F6 N2 O2 Ti -","- C28 H30 Cl2 F6 N2 O2 Ti -","- C224 H240 Cl16 F48 N16 O16 Ti8 -","8","1","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0505","0.04","","","0.1056","0.1147","","","","","","1.021","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070606","13.1331","0.0007","15.1294","0.0008","19.8109","0.001","90","","90","","90","","3936.3","0.4","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H26 B7 Fe O3 P -","- C13 H26 B7 Fe O3 P -","- C104 H208 B56 Fe8 O24 P8 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.0661","0.0408","","","0.0852","0.0988","","","","","","1.039","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070657","15.4995","0.0008","19.5284","0.0009","24.9868","0.0012","90","","90","","90","","7563","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H57 Fe N3 Si2 -","- C37 H57 Fe N3 Si2 -","- C296 H456 Fe8 N24 Si16 -","8","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.0667","0.0435","","","0.1047","0.1166","","","","","","1.019","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070660","9.258","0.0001","16.667","0.0002","29.194","0.0003","90","","90","","90","","4504.72","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H32 N4 O3 Ru -","- C21 H32 N4 O3 Ru -","- C168 H256 N32 O24 Ru8 -","8","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0763","0.0386","","","0.084","0.098","","","","","","1.031","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070672","17.3322","0.0017","19.32","0.002","27.697","0.004","90","","90","","90","","9274.6","1.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl F6 P3 Pd2 -","- C42 H76 Cl F6 P3 Pd2 -","- C336 H608 Cl8 F48 P24 Pd16 -","8","1","","Szuromi, Endre; Shen, Han; Goodall, Brian L.; Jordan, Richard F.","Polymerization of Norbornene and Methyl Acrylate by a Bimetallic Palladium(II) Allyl Complex","Organometallics","2008","27","3","402","","10.1021/om700921f","","","0.71073","MoKα","","0.0782","0.0493","","","0.1114","0.1256","","","","","","1.024","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070673","15.268","0.002","17.585","0.002","20.729","0.003","90","","90","","90","","5565.5","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H39 N2 Ni O P -","- C28 H39 N2 Ni O P -","- C224 H312 N16 Ni8 O8 P8 -","8","1","","Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene","Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality","Organometallics","2008","27","8","1671","","10.1021/om700933y","","","0.71073","MoKα","","0.1155","0.0628","","","0.1411","0.1628","","","","","","1.293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070697","20.015","0.002","14.9142","0.0014","20.075","0.002","90","","90","","90","","5992.5","1","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H38 B2 F8 Mo N7 -","- C25 H38 B2 F8 Mo N7 -","- C200 H304 B16 F64 Mo8 N56 -","8","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0684","0.0366","","","0.0806","0.099","","","","","","1.059","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070724","12.0378","0.0003","15.882","0.0003","23.9342","0.0005","90","","90","","90","","4575.84","0.17","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B F Fe N Sn -","- C24 H27 B F Fe N Sn -","- C192 H216 B8 F8 Fe8 N8 Sn8 -","8","1","","Boshra, Ramez; Doshi, Ami; Jäkle, Frieder","Fluoride-Promoted Aryl and Allyl Migration from Boron to Tin in 1-Stannyl-2-borylferrocenes","Organometallics","2008","27","7","1534","","10.1021/om700967a","","","1.54178","CuKα","","0.0506","0.0435","","","0.1076","0.1117","","","","","","1.091","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070733","16.469","0.007","15.342","0.007","20.655","0.009","90","","90","","90","","5219","4","193.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H34 Cl Ir2 N O3 S -","- C22 H34 Cl Ir2 N O3 S -","- C176 H272 Cl8 Ir16 N8 O24 S8 -","8","1","","Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex","Organometallics","2008","27","4","493","","10.1021/om7009705","","","0.7107","MoKα","","","0.0408","","","","0.1456","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070741","17.1174","0.0004","19.8926","0.0004","23.6733","0.0006","90","","90","","90","","8061","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H66 B Br2 N P2 Pt -","- C38 H66 B Br2 N P2 Pt -","- C304 H528 B8 Br16 N8 P16 Pt8 -","8","1","","Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina","Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines","Organometallics","2008","27","3","418","","10.1021/om700976t","","","0.71073","MoKα","","0.0389","0.0268","","","0.0593","0.0659","","","","","","1.097","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070760","15.6216","0.0012","17.8559","0.0016","20.3673","0.0016","90","","90","","90","","5681.2","0.8","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Ir N2 O2 S -","- C31 H35 Ir N2 O2 S -","- C248 H280 Ir8 N16 O16 S8 -","8","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0768","0.0402","","","0.0835","0.1096","","","","","","1.259","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070764","13.4004","0.0003","16.9251","0.0003","28.495","0.0006","90","","90","","90","","6462.8","0.2","297","2","297","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H36 B F4 Ir N2 O3 S -","- C32 H36 B F4 Ir N2 O3 S -","- C256 H288 B8 F32 Ir8 N16 O24 S8 -","8","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0563","0.0281","","","0.0549","0.0657","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070769","9.11","0.04","16","0.07","23.7","0.1","90","","90","","90","","3455","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 Ir N S -","- C15 H20 Cl2 Ir N S -","- C120 H160 Cl16 Ir8 N8 S8 -","8","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.0461","0.0305","","","0.0651","0.0682","","","","","","0.91","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070770","9.0377","0.0016","16.064","0.003","23.757","0.005","90","","90","","90","","3449.1","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 N Rh S -","- C15 H20 Cl2 N Rh S -","- C120 H160 Cl16 N8 Rh8 S8 -","8","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.037","0.031","","","0.0763","0.0801","","","","","","1.175","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070815","13.6535","0.0006","11.685","0.0005","18.6671","0.0008","90","","90","","90","","2978.2","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F3 O Pt -","- C15 H22 B F3 O Pt -","- C120 H176 B8 F24 O8 Pt8 -","8","1","","Wu, Jianguo; Sharp, Paul R.","A Family of Platinaoxetanes","Organometallics","2008","27","6","1234","","10.1021/om7010479","","","0.71073","MoKα","","0.0398","0.0287","","","0.0614","0.0669","","","","","","1.038","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070836","17.9482","0.0005","19.5298","0.0004","20.9501","0.0004","90","","90","","90","","7343.5","0.3","253","2","253","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H53 F6 P Ru3 -","- C37 H53 F6 P Ru3 -","- C296 H424 F48 P8 Ru24 -","8","1","","Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu","Insertion of Acetylene and Nitriles into a Ru‒C Bond of a Dicationic Triruthenium Complex Having a μ~3~-η^3^-C~3~ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core","Organometallics","2008","27","6","1044","1054","10.1021/om701066b","","","0.71069","MoKα","","0.0652","0.0369","","","0.0815","0.0875","","","","","","0.892","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070912","15.289","0.0018","23.481","0.003","34.845","0.004","90","","90","","90","","12509","3","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4","","","- C52 H112 N12 Sr2 -","- C52 H112 N12 Sr2 -","- C416 H896 N96 Sr16 -","8","1","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.0906","0.0438","","","0.0932","0.1095","","","","","","1","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4070918","8.376","0.003","16.629","0.006","23.453","0.008","90","","90","","90","","3267","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Co I N S -","- C15 H19 Co I N S -","- C120 H152 Co8 I8 N8 S8 -","8","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.0443","0.0343","","","0.0769","0.0809","","","","","","0.99","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070920","10.934","0.003","19.396","0.006","23.402","0.007","90","","90","","90","","4963","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H30 B10 Co N S2 -","- C17 H30 B10 Co N S2 -","- C136 H240 B80 Co8 N8 S16 -","8","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.1268","0.047","","","0.0754","0.0903","","","","","","0.768","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070925","12.837","0.0005","18.8931","0.0008","23.392","0.001","90","","90","","90","","5673.3","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H34 Cl F6 Ir N2 P2 -","- C27 H34 Cl F6 Ir N2 P2 -","- C216 H272 Cl8 F48 Ir8 N16 P16 -","8","1","","Song, Guoyong; Wang, Xinjiao; Li, Yongxin; Li, Xingwei","Iridium Abnormal N-Heterocyclic Carbene Hydrides via Highly Selective C−H Activation","Organometallics","2008","27","6","1187","","10.1021/om7011216","","","0.71073","MoKα","","0.0356","0.0247","","","0.0568","0.065","","","","","","1.034","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070938","17.312","0.004","13.681","0.003","28.015","0.006","90","","90","","90","","6635","3","110","","110","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 B Cl4 P Ru -","- C33 H44 B Cl4 P Ru -","- C264 H352 B8 Cl32 P8 Ru8 -","8","1","","Vergnaud, Jérôme; Grellier, Mary; Bouhadir, Ghenwa; Vendier, Laure; Sabo-Etienne, Sylviane; Bourissou, Didier","Synthesis and Reactivity of Ruthenium Arene Complexes Incorporating Novel Ph2PCH2CH2BR2Ligands. Easy Access to the Four-Membered Ruthenacycle [(p-cymene)RuCl(κC,P-CH2CH2PPh2)]","Organometallics","2008","27","6","1140","","10.1021/om701139a","","","","MoKα","","0.1549","0.0766","","","0.13","0.1551","","","","","","1.119","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070963","17.6967","0.0008","18.5086","0.0009","25.923","0.001","90","","90","","90","","8490.8","0.7","100","1","100","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C46 H64 Fe N6 -","- C46 H64 Fe N6 -","- C368 H512 Fe8 N48 -","8","1","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.058","0.0429","","","0.1022","0.1094","","","","","","1.036","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070975","15.1597","0.0015","12.5004","0.0014","31.331","0.003","90","","90","","90","","5937.3","1.1","95","2","95","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H52 Cl0.37 N2.26 P2 Rh Si2 -","- C22 H52 Cl0.371 N2.258 P2 Rh Si2 -","- C176 H416 Cl2.968 N18.064 P16 Rh8 Si16 -","8","1","","Verat, Alexander Y.; Pink, Maren; Fan, Hongjun; Tomaszewski, John; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RhI? Rapidly Reversible H−C(sp3) and H−C(sp2) Bond Cleavage by Rhodium(I)","Organometallics","2008","27","2","166","","10.1021/om701165n","","","0.49595","synchrotron","","0.1179","0.0716","","","0.1573","0.1885","","","","","","1.235","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4070985","21.61","0.003","17.342","0.002","32.154","0.004","90","","90","","90","","12050","3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H56 Hf Li2 N4 -","- C22 H56 Hf Li2 N4 -","- C352 H896 Hf16 Li32 N64 -","16","2","","Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.","Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]","Organometallics","2008","27","5","984","","10.1021/om701189e","","","0.71073","MoKα","","0.0683","0.0242","","","0.037","0.0391","","","","","","0.714","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070987","15.3935","0.0004","13.3225","0.0003","34.6471","0.0006","90","","90","","90","","7105.4","0.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H65 Li3 N6 W -","- C26 H65 Li3 N6 W -","- C208 H520 Li24 N48 W8 -","8","1","","Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.","Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]","Organometallics","2008","27","5","984","","10.1021/om701189e","","","0.71073","MoKα","","0.1533","0.0531","","0.1203","","0.0926","","","0.969","","","1.112","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070997","17.0553","0.0004","20.1437","0.0006","19.2039","0.0006","90","","90","","90","","6597.6","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","complex 4","","","- C29 H51 O2 P3 Ru Si2 -","- C29 H51 O2 P3 Ru Si2 -","- C232 H408 O16 P24 Ru8 Si16 -","8","1","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.0525","0.0415","","","0.1011","0.128","","","","","","1.226","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4071046","16.1222","0.0019","17.089","0.002","32.257","0.004","90","","90","","90","","8887.2","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H48 Cl8 O Os P4 -","- C34 H48 Cl8 O Os P4 -","- C272 H384 Cl64 O8 Os8 P32 -","8","1","","Gong, Lei; Lin, Yumei; He, Guomei; Zhang, Hong; Wang, Huijuan; Wen, Ting Bin; Xia, Haiping","Synthesis and Characterization of an Air-Stablep-Osmaphenol","Organometallics","2008","27","3","309","","10.1021/om7012265","","","0.71073","MoKα","","0.0817","0.0424","","","0.0743","0.0816","","","","","","1.008","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071109","13.78","0.004","17.776","0.006","18.726","0.006","90","","90","","90","","4587","3","198","2","198","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H40 P4 Ti -","- C18 H40 P4 Ti -","- C144 H320 P32 Ti8 -","8","1","","You, Yujian; Girolami, Gregory S.","Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis","Organometallics","2008","27","13","3172","","10.1021/om701263v","","","0.71073","MoKα","","0.0494","0.0337","","","0.0875","0.093","","","","","","1.015","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071148","10.827","0.005","16.74","0.009","36.494","0.017","90","","90","","90","","6614","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H41 N Ni P2 -","- C38 H41 N Ni P2 -","- C304 H328 N8 Ni8 P16 -","8","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.3177","0.079","","","0.1269","0.1995","","","","","","0.959","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071163","17.0371","0.0009","9.4576","0.0005","17.5727","0.0008","90","","90","","90","","2831.5","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Br2 N4 Ni -","- C26 H36 Br2 N4 Ni -","- C104 H144 Br8 N16 Ni4 -","4","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0551","0.0353","","","0.0777","0.0839","","","","","","1.027","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071165","11.2799","0.0007","15.3817","0.001","18.4142","0.0012","90","","90","","90","","3194.9","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Br2 N4 Ni -","- C30 H44 Br2 N4 Ni -","- C120 H176 Br8 N16 Ni4 -","4","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0755","0.0441","","","0.1057","0.1178","","","","","","1.034","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071187","14.18","0.003","13.87","0.002","16.468","0.003","90","","90","","90","","3238.9","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H27 Cl Os -","- C18 H27 Cl Os -","- C144 H216 Cl8 Os8 -","8","1","","Dub, Pavel A.; Belkova, Natalia V.; Lyssenko, Konstantin A.; Silantyev, Gleb A.; Epstein, Lina M.; Shubina, Elena S.; Daran, Jean-Claude; Poli, Rinaldo","Synthesis and Protonation Studies of Cp*Os(dppe)H: Kinetic versus Thermodynamic Control","Organometallics","2008","27","13","3307","","10.1021/om8000235","","","0.71073","MoKα","","0.0719","0.0415","","","0.096","0.1173","","","","","","0.997","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071229","15.8275","0.0008","17.7785","0.001","17.9098","0.0009","90","","90","","90","","5039.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H46 Ir P3 Si -","- C18 H46 Ir P3 Si -","- C144 H368 Ir8 P24 Si8 -","8","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Silapentadienyl−Iridium−Phosphine Chemistry(1)","Organometallics","2008","27","11","2436","","10.1021/om800041b","","","0.71073","MoKα","","0.0378","0.0224","","","0.039","0.0419","","","","","","1.03","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071236","10.1646","0.0005","17.4207","0.0008","18.9964","0.0009","90","","90","","90","","3363.8","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 Pd -","- C18 H22 N2 O2 Pd -","- C144 H176 N16 O16 Pd8 -","8","1","","Giri, Ramesh; Maugel, Nathan; Foxman, Bruce M.; Yu, Jin-Quan","Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex","Organometallics","2008","27","8","1667","","10.1021/om8000444","","","0.71073","MoKα","","0.0209","0.0161","","0.0413","0.0406","0.0413","","","","","","0.8474","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071261","16.093","0.003","21.424","0.004","33.139","0.005","90","","90","","90","","11426","3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H45 N2 Si Sm -","- C27 H45 N2 Si Sm -","- C432 H720 N32 Si16 Sm16 -","16","2","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Diazomethane Insertion into Lanthanide− and Yttrium−C(allyl) Bonds To Form the η2-Hydrazonato Complexes (C5Me5)2Ln[η2(N,N′)-RNNCHSiMe3] (R = C3H5)","Organometallics","2008","27","14","3582","","10.1021/om800065j","","","0.71073","MoKα","","0.0993","0.0569","","","0.1123","0.134","","","","","","1.191","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071292","16.5175","0.0003","16.1088","0.0003","16.6269","0.0003","90","","90","","90","","4424.04","0.14","200","","200","","","","","","","","from UNSW","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 Fe O6 P4 -","- C14 H34.0016 Fe O6 P4 -","- C112 H272.013 Fe8 O48 P32 -","8","1","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.0785","0.0384","","0.1174","0.0917","0.1174","","","","","","1.0039","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071342","20.6472","0.0016","12.2032","0.001","25.668","0.002","90","","90","","90","","6467.4","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H44 N4 Ti -","- C37 H44 N4 Ti -","- C296 H352 N32 Ti8 -","8","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0828","0.0545","","","0.1411","0.1549","","","","","","1.086","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071343","21.266","0.004","12.788","0.002","24.435","0.004","90","","90","","90","","6645","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H46 N4 Ti -","- C38 H46 N4 Ti -","- C304 H368 N32 Ti8 -","8","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0877","0.0509","","","0.1229","0.137","","","","","","1.084","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071351","16.2363","0.0006","17.0367","0.0007","43.781","0.0017","90","","90","","90","","12110.4","0.8","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C27 H40 Cl2 N4 Ti -","- C27 H40 Cl2 N4 Ti -","- C432 H640 Cl32 N64 Ti16 -","16","2","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","x-ray","0.71073","MoKα","","0.0763","0.0546","","","0.1201","0.1301","","","","","","1.088","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071357","21.0572","0.0011","15.9155","0.0011","22.0458","0.0015","90","","90","","90","","7388.3","0.8","293.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl Ir N -","- C19 H27 Cl Ir N -","- C304 H432 Cl16 Ir16 N16 -","16","2","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0452","","","","0.114","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071416","8.8589","0.001","17.727","0.002","27.619","0.004","90","","90","","90","","4337.3","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H37 Mo N O -","- C23 H37 Mo N O -","- C184 H296 Mo8 N8 O8 -","8","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.1154","0.0626","","","0.1167","0.1274","","","","","","1.12","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071421","10.604","0.017","17.3","0.02","38.19","0.05","90","","90","","90","","7006","17","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H51 O3 S2 Sc Si -","- C32 H51 O3 S2 Sc Si -","- C256 H408 O24 S16 Sc8 Si8 -","8","1","","Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun","Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation","Organometallics","2008","27","15","3774","","10.1021/om800161u","","","0.71073","MoKα","","0.1459","0.0705","","","0.1091","0.126","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071435","18.7819","0.0011","21.2139","0.0011","35.3915","0.0016","90","","90","","90","","14101.3","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C55 H94 B22 Ir N4 O P2 Sn2 -","- C55 H94 B22 Ir N4 O P2 Sn2 -","- C440 H752 B176 Ir8 N32 O8 P16 Sn16 -","8","1","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.1144","0.0677","","","0.0987","0.1107","","","","","","1.135","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071452","15.467","0.0007","15.8451","0.0007","15.8451","0.0007","90","","90","","90","","3883.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 Cl N3 P Pd -","- C21 H17 Cl N3 P Pd -","- C168 H136 Cl8 N24 P8 Pd8 -","8","1","","Inés, Blanca; SanMartin, Raul; Churruca, Fátima; Domínguez, Esther; Urtiaga, Miren Karmele; Arriortua, María Isabel","A Nonsymmetric Pincer-Type Palladium Catalyst In Suzuki, Sonogashira, and Hiyama Couplings in Neat Water","Organometallics","2008","27","12","2833","","10.1021/om800175a","","","0.71073","MoKα","","0.0988","0.0951","","","0.1241","0.1254","","","","","","1.532","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071471","13.539","0.00001","23.098","0.00001","32.279","0.0002","90","","90","","90","","10094.4","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","in_paper_2","","","- C22 H42 Cl2 Ir N3 -","- C22 H42 Cl2 Ir N3 -","- C352 H672 Cl32 Ir16 N48 -","16","2","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.0688","0.048","","","0.1251","0.1481","","","","","","1.08","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071516","19.0732","0.0012","15.3618","0.0011","24.6074","0.0016","90","","90","","90","","7209.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O2 Pd2 -","- C40 H40 N4 O2 Pd2 -","- C320 H320 N32 O16 Pd16 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0564","0.0519","","","0.1023","0.1041","","","","","","1.383","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071565","17.1407","0.0005","19.184","0.0006","26.3148","0.0008","90","","90","","90","","8653","0.5","160","","180","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C34 H75 N O8 Zr2 -","- C34 H75 N O8 Zr2 -","- C272 H600 N8 O64 Zr16 -","8","1","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","0.71073","MoKα","","0.0728","0.0357","","","0.0939","0.1272","","","","","","1.162","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071584","16.871","0.002","9.3341","0.0012","37.956","0.005","90","","90","","90","","5977.1","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H34 Fe2 N2 O2 -","- C39 H34 Fe2 N2 O2 -","- C312 H272 Fe16 N16 O16 -","8","1","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.0759","0.0575","","","0.1361","0.145","","","","","","1.061","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071654","18.0783","0.0003","14.7973","0.0003","27.1111","0.0006","90","","90","","90","","7252.5","0.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H51 Cl2 N3 P2 Ru -","- C36 H51 Cl2 N3 P2 Ru -","- C288 H408 Cl16 N24 P16 Ru8 -","8","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes","Organometallics","2008","27","14","3526","","10.1021/om800294v","","","0.71073","MoKα","","0.0786","0.0462","","","0.1102","0.1227","","","","","","1.049","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071692","16.843","0.004","19.073","0.005","15.619","0.005","90","","90","","90","","5018","2","200.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H29 O P Ru -","- C32 H29 O P Ru -","- C256 H232 O8 P8 Ru8 -","8","1","","Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex","Organometallics","2008","27","15","3635","","10.1021/om800318z","","","0.7107","MoKα","","","0.0305","","","","0.0485","","","","","","1.244","","","","has coordinates","288190","2023-12-08","16:15:29",""
"4071715","8.2836","0.0008","13.7315","0.0007","19.6036","0.0011","90","","90","","90","","2229.8","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cl O Pd -","- C11 H17 Cl O Pd -","- C88 H136 Cl8 O8 Pd8 -","8","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","New Acetonyl Palladium(II) Complexes","Organometallics","2008","27","15","3978","","10.1021/om8003288","","","0.71073","MoKα","","0.0399","0.0232","","","0.0425","0.0446","","","","","","0.839","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071723","15.499","0.0002","15.257","0.0002","22.8414","0.0003","90","","90","","90","","5401.27","0.12","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H37 Fe P -","- C32 H37 Fe P -","- C256 H296 Fe8 P8 -","8","1","","Huber, Dominique P.; Kehr, Gerald; Bergander, Klaus; Fröhlich, Roland; Erker, Gerhard; Tanino, Soichiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Heterolytic Cleavage of Dihydrogen by Frustrated Lewis Pairs Derived from α-(Dimesitylphosphino)ferrocenes and B(C6F5)3†","Organometallics","2008","27","20","5279","","10.1021/om800339c","","","0.71073","MoKα","","0.1085","0.0531","","","0.1262","0.1459","","","","","","1.051","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071749","10.8132","0.0009","17.3988","0.0013","34.178","0.003","90","","90","","90","","6430.1","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl3 Cr N2 P2 -","- C32 H34 Cl3 Cr N2 P2 -","- C256 H272 Cl24 Cr8 N16 P16 -","8","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","Unusual Ligand Transformation Mediated by Chromium(III): Hydrolytic Disintegration of a [PNP] Hybrid Ligand with CH3CN Insertion","Organometallics","2008","27","16","4188","","10.1021/om800353a","","","0.71073","MoKα","","0.1026","0.0626","","","0.112","0.1243","","","","","","1.032","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071772","13.1738","0.0005","12.7807","0.0004","21.3933","0.0007","90","","90","","90","","3602","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H20 Co F6 P Si2 -","- C14 H20 Co F6 P Si2 -","- C112 H160 Co8 F48 P8 Si16 -","8","1","","Braunschweig, Holger; Breher, Frank; Kaupp, Martin; Gross, Manuela; Kupfer, Thomas; Nied, Dominik; Radacki, Krzysztof; Schinzel, Sandra","Synthesis, Crystal Structure, EPR and DFT Studies, and Redox Properties of [2]Tetramethyldisilacobaltocenophane","Organometallics","2008","27","24","6427","","10.1021/om8003724","","","0.71073","MoKα","","0.0314","0.0289","","","0.0745","0.0774","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071829","16.7222","0.0003","14.4243","0.0004","22.8272","0.0004","90","","90","","90","","5506.1","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H47 Cl2 P Ru -","- C27 H47 Cl2 P Ru -","- C216 H376 Cl16 P8 Ru8 -","8","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.0412","0.0274","","","0.0625","0.0717","","","","","","1.057","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071889","9.3447","0.0013","13.4617","0.0018","34.022","0.005","90","","90","","90","","4279.8","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H34 B9 N -","- C17 H34 B9 N -","- C136 H272 B72 N8 -","8","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.1931","0.0967","","","0.2617","0.3432","","","","","","1.023","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071903","17.82","0.003","16.545","0.002","19.229","0.003","90","","90","","90","","5669.3","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl N O6 Os P -","- C29 H35 Cl N O6 Os P -","- C232 H280 Cl8 N8 O48 Os8 P8 -","8","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Osmium-Catalyzed Allylic Alkylation","Organometallics","2008","27","19","4892","","10.1021/om800460h","","","0.71073","MoKα","","0.0716","0.0526","","","0.098","0.1039","","","","","","1.195","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4072023","21.285","0.004","12.164","0.002","29.355","0.005","90","","90","","90","","7600","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C39 H61 P3 -","- C38.777 H59.233 P3 -","- C310.216 H473.864 P24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1287","0.0899","","","0.2429","0.2802","","","","","","1.02","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072038","18.668","0.002","17.479","0.002","19.473","0.002","90","","90","","90","","6354","1.2","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N3 Sc Si3 -","- C24 H58 N3 Sc Si3 -","- C192 H464 N24 Sc8 Si24 -","8","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0445","0.0352","","","0.0811","0.0853","","","","","","1.056","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072039","17.211","0.001","17.984","0.002","20.309","0.002","90","","90","","90","","6286.1","1","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N3 Si3 Y -","- C24 H58 N3 Si3 Y -","- C192 H464 N24 Si24 Y8 -","8","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0475","0.0289","","","0.0624","0.0688","","","","","","1.039","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072043","23.6525","0.0013","14.4554","0.0009","27.611","0.0016","90","","90","","90","","9440.4","1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C34 H76 Br4 Ni2 P4 -","- C34 H76 Br4 Ni2 P4 -","- C272 H608 Br32 Ni16 P32 -","8","1","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0704","0.0615","","","0.1303","0.136","","","","","","1.079","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072049","14.0098","0.0016","16.2434","0.0018","38.914","0.004","90","","90","","90","","8855.5","1.7","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C17 H37 Br2 Ni P2 -","- C17 H37 Br2 Ni P2 -","- C272 H592 Br32 Ni16 P32 -","16","2","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.052","0.0328","","","0.0757","0.0812","","","","","","0.963","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072122","14.6431","0.0008","11.779","0.0005","27.4725","0.0015","90","","90","","90","","4738.5","0.4","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H46 Au2 Fe3 P2 -","- C58 H46 Au2 Fe3 P2 -","- C232 H184 Au8 Fe12 P8 -","4","0.5","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior","Organometallics","2008","27","24","6419","","10.1021/om8005992","","","0.71073","MoKα","","0.0862","0.043","","","0.0808","0.09","","","","","","0.879","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072124","9.441","0.002","15.717","0.004","22.341","0.005","90","","90","","90","","3315.1","1.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 B9 Fe N S -","- C10 H24 B9 Fe N S -","- C80 H192 B72 Fe8 N8 S8 -","8","1","","Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.","Iron and Cobalt Complexes with Thiacarborane Ligands","Organometallics","2008","27","20","5273","","10.1021/om800601u","","","0.71073","MoKα","","0.1347","0.0537","","","0.1075","0.1629","","","","","","1.039","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072206","13.6779","0.0006","14.7453","0.0006","32.7016","0.0012","90","","90","","90","","6595.4","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H42 Cl2 N3 Pd -","- C36 H42 Cl2 N3 Pd -","- C288 H336 Cl16 N24 Pd8 -","8","1","","Broggi, Julie; Clavier, Hervé; Nolan, Steven P.","N-Heterocyclic Carbenes (NHCs) ContainingN-C-Palladacycle Complexes: Synthesis and Reactivity in Aryl Amination Reactions","Organometallics","2008","27","21","5525","","10.1021/om8006689","","","0.71073","MoKα","","0.0466","0.0326","","","0.0768","0.0836","","","","","","1.025","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072218","12.2777","0.0014","16.159","0.003","20.531","0.003","90","","90","","90","","4073.3","1.1","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 O4 S Si -","- C18 H18 Cl2 N2 O4 S Si -","- C144 H144 Cl16 N16 O32 S8 Si8 -","8","1","","Metz, Stefan; Burschka, Christian; Tacke, Reinhold","A Neutral Pentacoordinate Silicon(IV) Complex with a Monodentate Nitrato Ligand: Synthesis and Structural Characterization","Organometallics","2008","27","22","6032","","10.1021/om800676a","","","0.71073","MoKα","","0.0469","0.0381","","","0.0987","0.103","","","","","","1.046","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072230","14.953","0.0007","17.0466","0.0004","21.464","0.0009","90","","90","","90","","5471.1","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Ti -","- C30 H45 Ti -","- C240 H360 Ti8 -","8","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.154","0.0674","","","0.1521","0.1883","","","","","","1.022","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072267","20.397","0.003","14.12","0.002","21.943","0.003","90","","90","","90","","6319.7","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Ge2 N4 -","- C30 H46 Ge2 N4 -","- C240 H368 Ge16 N32 -","8","1","","Nagendran, Selvarajan; Sen, Sakya S.; Roesky, Herbert W.; Koley, Debasis; Grubmüller, Helmut; Pal, Aritra; Herbst-Irmer, Regine","RGe(I)Ge(I)R Compound (R = PhC(NtBu)2) with a Ge−Ge Single Bond and a Comparison with the Gauche Conformation of Hydrazine†","Organometallics","2008","27","21","5459","","10.1021/om800714f","","","1.54178","CuKα","","0.0467","0.0299","","","0.0661","0.0743","","","","","","1.043","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072303","15.986","0.0002","22.708","0.0004","23.811","0.0002","90","","90","","90","","8643.6","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H59 N P2 Ru -","- C51 H59 N P2 Ru -","- C408 H472 N8 P16 Ru8 -","8","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0647","0.0405","","","0.0863","0.0974","","","","","","1.029","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072349","21.327","0.004","20.487","0.006","26.1","0.007","90","","90","","90","","11404","5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H65 B F20 N P Ti -","- C58 H65 B F20 N P Ti -","- C464 H520 B8 F160 N8 P8 Ti8 -","8","1","","Friesen, Dawn M.; Piers, Warren E.; Parvez, Masood","Selective Catalytic Dimerization of Neohexene by [Cp*Ti(NPtBu3)Me][B(C6F5)4]","Organometallics","2008","27","24","6596","","10.1021/om800790d","","","0.71073","MoKα","","0.0929","0.0717","","","0.1746","0.1908","","","","","","1.034","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072353","12.1828","0.0002","9.7269","0.0002","18.0635","0.0003","90","","90","","90","","2140.54","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O2 Si -","- C10 H13 N O2 Si -","- C80 H104 N8 O16 Si8 -","8","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0449","0.0341","","","0.0909","0.095","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072407","19.6359","0.0016","19.7648","0.0017","22.712","0.0019","90","","90","","90","","8814.5","1.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C84 H124 B2 F2 N2 -","- C84 H120 B2 F2 N2 -","- C336 H480 B8 F8 N8 -","4","0.5","","Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong","Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene","Organometallics","2008","27","24","6446","","10.1021/om800856g","","","0.71073","MoKα","","0.2211","0.0789","","","0.2236","0.2839","","","","","","0.87","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072454","15.9591","0.0001","15.3955","0.0001","16.192","0.0002","90","","90","","90","","3978.35","0.06","220","2","220","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Ir O P S2 -","- C18 H26 Ir O P S2 -","- C144 H208 Ir8 O8 P8 S16 -","8","1","","Shaver, Alan; El Mouatassim, Bouchra; Mortini, Florent; Bélanger-Gariépy, Francine; Lough, Alan","Reactions of (η5-C5Me5)Ir(PMe3)(SH)2and (η5-C5Me5)Ir(PMe3)(SH)(H) with Thionylaniline (PhNSO) to Give Novel Iridium S3O and S2O Complexes","Organometallics","2007","26","17","4229","","10.1021/om060399l","","","1.54178","CuKα","","0.034","0.0305","","","0.08","0.0821","","","","","","1.087","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072482","17.6501","0.0009","16.4751","0.0008","35.5604","0.0018","90","","90","","90","","10340.5","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H71 B Mo N O2 P3 -","- C54 H71 B Mo N O2 P3 -","- C432 H568 B8 Mo8 N8 O16 P24 -","8","1","","Sterenberg, Brian T.; Senturk, Ozan Sanli; Udachin, Konstantin A.; Carty, Arthur J.","Reactivity of Terminal, Electrophilic Phosphinidene Complexes of Molybdenum and Tungsten. Nucleophilic Addition at Phosphorus and P−P Bond Forming Reactions with Phosphines and Diphosphines","Organometallics","2007","26","4","925","","10.1021/om060685x","","","0.71073","MoKα","","0.0716","0.0388","","","0.101","0.1125","","","","","","1","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072543","11.245","0.0014","15.5538","0.0019","16.19","0.002","90","","90","","90","","2831.7","0.6","396","2","396","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C136 H96 Cr8 O24 -","- C136 H96 Cr8 O24 -","- C136 H96 Cr8 O24 -","1","0.125","","Coleman, Anthony; Draper, Sylvia M.; Long, Conor; Pryce, Mary T.","Photochemicalcis−transIsomerization ofcis-(η6-1,2-Diphenylethene)Cr(CO)3and the Molecular Structure oftrans-(η6-1,2-Diphenylethene)Cr(CO)3","Organometallics","2007","26","17","4128","","10.1021/om060773h","","","0.71073","MoKα","","0.0512","0.0352","","","0.0836","0.0924","","","","","","1.041","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072586","17.7428","0.0002","13.2892","0.0002","21.3972","0.0003","90","","90","","90","","5045.19","0.12","150","","150","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","Cp*Ti(N-2,6-C6H3iPr2)Cl(py)","","- C27 H37 Cl N2 Ti -","- C27 H37 Cl N2 Ti -","- C216 H296 Cl8 N16 Ti8 -","8","1","","Owen, Christopher T.; Bolton, Paul D.; Cowley, Andrew R.; Mountford, Philip","Cyclopentadienyl Titanium Imido Compounds and Their Ethylene Polymerization Capability: Control of Molecular Weight Distributions by Imido N-Substituents","Organometallics","2007","26","1","83","","10.1021/om0608556","","","0.71073","MoKα","","0.0616","0.0359","","0.0612","0.041","0.041","","","","","","1.0973","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072595","12.8434","0.0005","18.7067","0.0007","33.6484","0.0012","90","","90","","90","","8084.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H62 N O3 Sc Si2 -","- C39 H62 N O3 Sc Si2 -","- C312 H496 N8 O24 Sc8 Si16 -","8","1","","Marinescu, Smaranda C.; Agapie, Theodor; Day, Michael W.; Bercaw, John E.","Group 3 Dialkyl Complexes with Tetradentate (L, L, N, O; L = N, O, S) Monoanionic Ligands: Synthesis and Reactivity","Organometallics","2007","26","5","1178","","10.1021/om0608612","","","0.71073","MoKα","","0.0693","0.0447","","","0.0693","0.0709","","","","","","2.272","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4072653","9.1251","0.001","16.8748","0.0018","33.956","0.004","90","","90","","90","","5228.7","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 I2 P2 Pt -","- C24 H34 I2 P2 Pt -","- C192 H272 I16 P16 Pt8 -","8","1","","Baber, R. Angharad; Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Haynes, Anthony; Williams, Gary L.; Papp, Rainer","Ligand Stereoelectronic Effects in Complexes of Phospholanes, Phosphinanes, and Phosphepanes and Their Implications for Hydroformylation Catalysis","Organometallics","2007","26","3","713","","10.1021/om060912v","","","0.71073","MoKα","","0.0669","0.0446","","","0.0924","0.1007","","","","","","1.105","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072662","15.045","0.006","19.289","0.008","22.687","0.009","90","","90","","90","","6584","5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H60 N2 O2 Os Si2 -","- C24 H60 N2 O2 Os Si2 -","- C192 H480 N16 O16 Os8 Si16 -","8","1","","Kiefer, Adam M.; Giles, John A.; Shapley, Patricia A.","Synthesis, Structure, and Reactivity of Organometallic Osmium(VI) Hydroxo Compounds","Organometallics","2007","26","8","1881","","10.1021/om060918k","","","0.71073","MoKα","","0.1715","0.0697","","","0.0983","0.1191","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072675","10.734","0.0005","11.2427","0.0005","31.3159","0.0015","90","","90","","90","","3779.2","0.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H24 F3 N O3 S Si -","- C14 H24 F3 N O3 S Si -","- C112 H192 F24 N8 O24 S8 Si8 -","8","1","","Hassall, Kathryn; Lobachevsky, Sofia; Schiesser, Carl H.; White, Jonathan M.","Carbon−Silicon Hyperconjugation and Strain-Enhanced Hyperconjugation: Structures ofN-Methyl 2- and 4-tert-Butyldimethylsilylmethyl Pyridinium Cations","Organometallics","2007","26","6","1361","","10.1021/om060939e","","","0.71073","MoKα","","0.0435","0.0396","","","0.1054","0.1078","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072721","15.7173","0.0007","17.0705","0.0008","18.667","0.0009","90","","90","","90","","5008.4","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 B9 Ir -","- C24 H36 B9 Ir -","- C192 H288 B72 Ir8 -","8","1","","Alekseev, Leonid S.; Dolgushin, Fedor M.; Korlyukov, Alexander A.; Godovikov, Ivan A.; Vorontsov, Evgenii V.; Chizhevsky, Igor T.","Synthesis of 16-Electron (η3-Cyclooctenyl)metallacarboranes of Rhodium(III) and Iridium(III) with the New Sterically Demanding [(4‘-MeC6H4)2C2B9H9]2-Carborane Ligand. Molecular Structures of [3-{(1−3-η3)-C8H13}-1,2-(4‘-MeC6H4)2-3,1,2-pseudocloso-MC2B9H9] (M = Rh, Ir) and [(η6-MeC6H4)Rh(C2B9H9C6H4Me)Rh(η4-C8H12)]2, a Dimeric Byproduct Containing Distorted 13-Vertex {4,9,1,10-Rh2C2B9} Cluster Units","Organometallics","2007","26","15","3868","","10.1021/om0609721","","","0.71073","MoKα","","0.0276","0.019","","","0.0412","0.0444","","","","","","1.034","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072816","11.5297","0.0004","19.4678","0.0006","29.0284","0.0009","90","","90","","90","","6515.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H54 O2 W -","- C34 H54 O2 W -","- C272 H432 O16 W8 -","8","1","","Tonzetich, Zachary J.; Lam, Yan Choi; Müller, Peter; Schrock, Richard R.","Facile Synthesis of a Tungsten Alkylidyne Catalyst for Alkyne Metathesis","Organometallics","2007","26","3","475","","10.1021/om0610647","","","0.71073","MoKα","","0.029","0.0222","","","0.0523","0.0557","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072840","17.793","0.004","15.863","0.004","23.31","0.005","90","","90","","90","","6579","3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H28 F12 Ru Sb2 -","- C32 H28 F12 Ru Sb2 -","- C256 H224 F96 Ru8 Sb16 -","8","1","","Zhu, Bolin; Ellern, Arkady; Sygula, Andrzej; Sygula, Renata; Angelici, Robert J.","η6-Coordination of the Curved Carbon Surface of Corannulene (C20H10) to (η6-arene)M2+(M = Ru, Os)","Organometallics","2007","26","7","1721","","10.1021/om0610795","","","0.71073","MoKα","","0.0905","0.0596","","","0.1521","0.1753","","","","","","1.15","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072841","17.783","0.004","16.056","0.003","23.27","0.005","90","","90","","90","","6644","2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H30 F12 Ru Sb2 -","- C33 H30 F12 Ru Sb2 -","- C264 H240 F96 Ru8 Sb16 -","8","1","","Zhu, Bolin; Ellern, Arkady; Sygula, Andrzej; Sygula, Renata; Angelici, Robert J.","η6-Coordination of the Curved Carbon Surface of Corannulene (C20H10) to (η6-arene)M2+(M = Ru, Os)","Organometallics","2007","26","7","1721","","10.1021/om0610795","","","0.71073","MoKα","","0.0613","0.04","","","0.0976","0.1157","","","","","","1.029","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072842","18.03","0.004","15.11","0.003","23.476","0.005","90","","90","","90","","6396","2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H26 F12 Ru Sb2 -","- C31 H26 F12 Ru Sb2 -","- C248 H208 F96 Ru8 Sb16 -","8","1","","Zhu, Bolin; Ellern, Arkady; Sygula, Andrzej; Sygula, Renata; Angelici, Robert J.","η6-Coordination of the Curved Carbon Surface of Corannulene (C20H10) to (η6-arene)M2+(M = Ru, Os)","Organometallics","2007","26","7","1721","","10.1021/om0610795","","","0.71073","MoKα","","0.0419","0.0339","","","0.0815","0.0881","","","","","","1.101","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072884","16.0743","0.0011","19.1","0.0009","21.9454","0.0011","90","","90","","90","","6737.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B Fe2 Li O -","- C40 H46 B Fe2 Li O -","- C320 H368 B8 Fe16 Li8 O8 -","8","1","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li+Cation","Organometallics","2007","26","7","1771","","10.1021/om061117k","","","0.71073","MoKα","","0.1344","0.0633","","","0.1083","0.1281","","","","","","0.927","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4072920","8.699","0.002","19.281","0.003","23.397","0.004","90","","90","","90","","3924.3","1.3","173.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O Pt S -","- C21 H23 N O Pt S -","- C168 H184 N8 O8 Pt8 S8 -","8","1","","Yagyu, Takeyoshi; Ohashi, Jun-ichi; Maeda, Masunobu","Monoarylplatinum(II) Complexes with a 2-Phenylpyridyl Ligand and Coordinated Solvent, [Pt(Ar)(Phpy)(solv)] (Phpy = 2-phenylpyridyl; solv = NCCH3, dmso). Preparation from [Pt(Ar)2(solv)2], Structures, and Chemical Properties","Organometallics","2007","26","9","2383","","10.1021/om061137m","","","0.7107","MoKα","","","0.0662","","","","0.1276","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072942","21.2482","0.0014","15.82","0.0011","24.3741","0.0017","90","","90","","90","","8193.3","1","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H25 B Bi F20 N O -","- C43 H24 B Bi F20 N O -","- C344 H192 B8 Bi8 F160 N8 O8 -","8","1","","Bao, Ming; Hayashi, Teruyuki; Shimada, Shigeru","Cationic Organobismuth Complex with 5,6,7,12-Tetrahydrodibenz[c,f][1,5]azabismocine Framework and Its Coordination Complexes with Neutral Molecules","Organometallics","2007","26","7","1816","","10.1021/om0611453","","","0.71069","MoKα","","","0.0432","","","","0.1281","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072944","21.3142","0.001","15.8821","0.0008","24.2633","0.0012","90","","90","","90","","8213.5","0.7","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H23 B Bi Cl2 F20 N -","- C43 H23 B Bi Cl2 F20 N -","- C344 H184 B8 Bi8 Cl16 F160 N8 -","8","1","","Bao, Ming; Hayashi, Teruyuki; Shimada, Shigeru","Cationic Organobismuth Complex with 5,6,7,12-Tetrahydrodibenz[c,f][1,5]azabismocine Framework and Its Coordination Complexes with Neutral Molecules","Organometallics","2007","26","7","1816","","10.1021/om0611453","","","0.71069","MoKα","","","0.043","","","","0.1129","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072952","16.1827","0.0004","15.6776","0.0004","22.2677","0.0008","90","","90","","90","","5649.4","0.3","243.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H42 Al N O4 Ti -","- C27 H42 Al N O4 Ti -","- C216 H336 Al8 N8 O32 Ti8 -","8","1","","Padmanabhan, Sudhakar; Katao, Shouhei; Nomura, Kotohiro","Synthesis and Structure of Titanatranes Containing Tetradentate Trianionic Donor Ligands of the Type [(O-2,4-R2C6H2-6-CH2)2(OCH2CH2)]N3-and Their Use in Catalysis for Ethylene Polymerization","Organometallics","2007","26","7","1616","","10.1021/om0611507","","","0.71075","MoKα","","","0.0441","","","","0.109","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072958","11.984","0.0017","13.3474","0.0019","20.537","0.003","90","","90","","90","","3285","0.8","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Bi I N2 -","- C13 H22 Bi I N2 -","- C104 H176 Bi8 I8 N16 -","8","1","","Soran, Albert P.; Silvestru, Cristian; Breunig, Hans J.; Balázs, Gabor; Green, Jennifer C.","Organobismuth(III) Dihalides with T-Shaped Geometry Stabilized by Intramolecular N→Bi Interactions and Related Diorganobismuth(III) Halides","Organometallics","2007","26","5","1196","","10.1021/om0611608","","","0.71073","MoKα","","0.0632","0.0483","","","0.0918","0.0968","","","","","","1.159","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072963","15.785","0.0003","16.3154","0.0004","21.8306","0.0003","90","","90","","90","","5622.22","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H43 O3 P2 Pd -","- C25 H43 O3 P2 Pd -","- C200 H344 O24 P16 Pd8 -","8","1","","Johansson, Roger; Wendt, Ola F.","Synthesis and Reactivity of (PCP) Palladium Hydroxy Carbonyl and Related Complexes toward CO2and Phenylacetylene","Organometallics","2007","26","9","2426","","10.1021/om0611709","","","0.71073","MoKα","","0.1211","0.0383","","","0.0877","0.093","","","","","","0.911","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072994","17.267","0.002","17.974","0.002","18.631","0.003","90","","90","","90","","5782.3","1.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 I3 P Ru -","- C26 H40 I3 P Ru -","- C208 H320 I24 P8 Ru8 -","8","1","","Caskey, Stephen R.; Stewart, Michael H.; Ahn, Yi Joon; Johnson, Marc J. A.; Rowsell, Jesse L. C.; Kampf, Jeff W.","Synthesis, Structure, and Reactivity of Four-, Five-, and Six-Coordinate Ruthenium Carbyne Complexes","Organometallics","2007","26","8","1912","","10.1021/om061192v","","","0.71073","MoKα","","0.0328","0.0271","","","0.0807","0.0828","","","","","","1.288","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073008","7.163","0.003","11.724","0.006","36.548","0.017","90","","90","","90","","3069","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H14 Fe O3 -","- C19 H14 Fe O3 -","- C152 H112 Fe8 O24 -","8","1","","Zhang, Lei; Sun, Jie; Zhu, Huping; Tsumori, Nobuko; Xu, Qiang; Chen, Jiabi","Thermolytic Products Derived from Thermolysis of Cycloolefin-Coordinated Diiron Bridging Carbene Complexes†","Organometallics","2007","26","10","2630","","10.1021/om070009a","","","0.71073","MoKα","","0.1369","0.0498","","","0.0903","0.1069","","","","","","0.795","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073010","16.2931","0.0007","18.4265","0.0008","20.346","0.0009","90","","90","","90","","6108.4","0.5","86","2","86","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DHP-(Fe(CO)3)2","","","- C36 H34 Fe2 O6 -","- C36 H34 Fe2 O6 -","- C288 H272 Fe16 O48 -","8","1","","Zhang, Rui; Fan, Wei; Twamley, Brendan; Berg, David J.; Mitchell, Reginald H.","Synthesis and Structures of Dimethyldihydropyrene Iron Carbonyl Complexes","Organometallics","2007","26","8","1888","","10.1021/om0700112","","","0.71073","MoKα","","0.0414","0.0378","","","0.0916","0.094","","","","","","1.067","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073067","16.478","0.0013","18.948","0.0014","32.554","0.003","90","","90","","90","","10164.2","1.4","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H54 Cl5 F6 P3 Ru -","- C51 H54 Cl5 F6 P3 Ru -","- C408 H432 Cl40 F48 P24 Ru8 -","8","1","","Chaplin, Adrian B.; Dyson, Paul J.","Catalytic Activity of Bis-phosphine Ruthenium(II)−Arene Compounds: Structure−Activity Correlations","Organometallics","2007","26","9","2447","","10.1021/om070050d","","","0.71073","MoKα","","0.1131","0.0672","","","0.1497","0.17","","","","","","1.079","","","","has coordinates,has disorder","178619","2020-10-21","18:00:00",""
"4073209","14.0141","0.0012","13.8065","0.0012","17.5198","0.0015","90","","90","","90","","3389.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18.38 H19.13 Cl1.63 Cr N -","- C18.387 H19.161 Cl1.613 Cr N -","- C147.096 H153.288 Cl12.904 Cr8 N8 -","8","1","","Fernández, Pablo; Pritzkow, Hans; Carbó, Jorge J.; Hofmann, Peter; Enders, Markus","1H NMR Investigation of Paramagnetic Chromium(III) Olefin Polymerization Catalysts: Experimental Results, Shift Assignment and Prediction by Quantum Chemical Calculations†","Organometallics","2007","26","18","4402","","10.1021/om070173y","","","0.71073","MoKα","","0.0761","0.0494","","","0.1233","0.1395","","","","","","1.098","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4073353","7.3144","0.0013","10.319","0.0018","43.365","0.008","90","","90","","90","","3273.1","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Br2 N2 Pd -","- C14 H24 Br2 N2 Pd -","- C112 H192 Br16 N16 Pd8 -","8","1","","Guo, Ruiyun; Portscheller, Janelle L.; Day, Victor W.; Malinakova, Helena C.","An Allylpalladium(IV) Intermediate in the Synthesis of Highly Substituted Benzoxepines and Benzopyrans via Reactions of Stable Pallada(II)cycles with Allyl Bromides","Organometallics","2007","26","15","3874","","10.1021/om7002865","","","0.71073","MoKα","","0.1164","0.0586","","","0.1021","0.1157","","","","","","0.949","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073460","15.552","0.012","10.704","0.008","22.633","0.018","90","","90","","90","","3768","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C168 H184 O16 P8 S8 -","- C168 H184 O16 P8 S8 -","- C168 H184 O16 P8 S8 -","1","0.125","","Duan, Zheng; Clochard, Magali; Donnadieu, Bruno; Mathey, François; Tham, Fook S.","Synthesis and X-ray Crystal Structure of a P-Confused Carbaporphyrinoid","Organometallics","2007","26","15","3617","","10.1021/om700344q","","","0.71073","MoKα","","0.1295","0.0735","","","0.1507","0.1754","","","","","","1.098","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073515","18.34","0.002","15.2377","0.0018","20.012","0.003","90","","90","","90","","5592.5","1.2","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H35 F3 N2 O3 P2 Pd S -","- C22 H35 F3 N2 O3 P2 Pd S -","- C176 H280 F24 N16 O24 P16 Pd8 S8 -","8","1","","Weng, Wei; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.","Palladium Complexes of a P2C Ligand Containing a Central Carbene Moiety","Organometallics","2007","26","14","3315","","10.1021/om700414t","","","0.71073","MoKα","","0.044","0.0255","","0.0635","0.0519","0.0635","","","","","","0.9213","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073542","11.8474","0.0006","16.9853","0.0008","23.2002","0.001","90","","90","","90","","4668.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl5 N2 Pt -","- C18 H31 Cl5 N2 Pt -","- C144 H248 Cl40 N16 Pt8 -","8","1","","Fantasia, Serena; Jacobsen, Heiko; Cavallo, Luigi; Nolan, Steven P.","Insertion of a N-Heterocyclic Carbene (NHC) into a Platinum−Olefin Bond","Organometallics","2007","26","14","3286","","10.1021/om700447u","","","0.71073","MoKα","","0.0493","0.0376","","","0.0853","0.09","","","","","","1.083","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073543","13.6364","0.0013","12.0796","0.0011","13.9393","0.0011","90","","90","","90","","2296.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H4 B Br2 Mn O3 -","- C8 H4 B Br2 Mn O3 -","- C64 H32 B8 Br16 Mn8 O24 -","8","1","","Kunz, Kerstin; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mn(CO)2Complexes of Cyclopentadienyl/Scorpionate Hybrid Ligands","Organometallics","2007","26","18","4663","","10.1021/om700450j","","","0.71073","MoKα","","0.0979","0.0618","","","0.1048","0.1148","","","","","","1.084","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073555","20.613","0.0006","21.261","0.0006","27.921","0.001","90","","90","","90","","12236.5","0.7","230","0.1","230","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C69 H68 N7 P3 Zr -","- C69 H60 N7 P3 Zr -","- C552 H480 N56 P24 Zr8 -","8","1","","Smolensky, Elena; Kapon, Moshe; Eisen, Moris S.","Intermolecular Hydroamination of Methylenecyclopropane Catalyzed by Group IV Metal Complexes","Organometallics","2007","26","18","4510","","10.1021/om700455e","","","0.71073","MoKα","","0.1475","0.0563","","","0.1136","0.1334","","","","","","0.881","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073578","9.4352","0.0003","12.5514","0.0004","31.2216","0.001","90","","90","","90","","3697.4","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Cr Si2 -","- C19 H26 Cr Si2 -","- C152 H208 Cr8 Si16 -","8","1","","Braunschweig, Holger; Kupfer, Thomas","Transition-Metal-Catalyzed Bis-Silylation of Propyne by [2]Chromoarenophanes","Organometallics","2007","26","18","4634","","10.1021/om700479h","","","0.71073","MoKα","","0.0323","0.0308","","","0.0735","0.0743","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073592","16.98","0.001","33.843","0.002","18.534","0.001","90","","90","","90","","10650.6","1.1","296.2","","296","","","","","","","","","7","P b c a","-P 2ac 2ab","61","complex 1a","","","- C51 H83 Cl N O2 P2 Rh -","- C51 H83 Cl N O2 P2 Rh -","- C408 H664 Cl8 N8 O16 P16 Rh8 -","8","1","","Hayashi, Akito; Okazaki, Masaaki; Ozawa, Fumiyuki; Tanaka, Rika","Synthesis, Structures, and Catalytic Properties of Late-Transition-Metal 2,6-Bis(2-phosphaethenyl)pyridine Complexes","Organometallics","2007","26","21","5246","","10.1021/om700488y","","x-ray","0.7107","MoKα","","","0.063","","","","0.1831","","","","","","1.032","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073665","22.7759","0.0019","18.791","0.004","26.845","0.003","90","","90","","90","","11489","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C65 H51 Cl3 Fe O2 P2 Ru S -","- C65 H51 Cl3 Fe O2 P2 Ru S -","- C520 H408 Cl24 Fe8 O16 P16 Ru8 S8 -","8","1","","Cowley, Andrew R.; Hector, Andrew L.; Hill, Anthony F.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Synthesis and Reactions of Five-Coordinate Mono- and Binuclear Thiocarbonyl−Alkenyl and Thioacyl Complexes of Ruthenium(II)","Organometallics","2007","26","25","6114","","10.1021/om700518m","","","0.71073","MoKα","","0.1256","0.0608","","","0.1317","0.1503","","","","","","0.977","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073695","17.2381","0.0009","9.518","0.0005","17.8717","0.0009","90","","90","","90","","2932.2","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Br2 N4 Pt -","- C26 H36 Br2 N4 Pt -","- C104 H144 Br8 N16 Pt4 -","4","0.5","","Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng","Mono- vs Bis(carbene) Complexes: A Detailed Study on Platinum(II)−Benzimidazolin-2-ylidenes","Organometallics","2007","26","18","4612","","10.1021/om700543p","","","0.71073","MoKα","","0.0538","0.0269","","","0.061","0.0692","","","","","","0.992","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073698","17.1196","0.0007","9.7318","0.0004","29.7136","0.0011","90","","90","","90","","4950.4","0.3","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H31 Br2 N3 O Pt -","- C22 H31 Br2 N3 O Pt -","- C176 H248 Br16 N24 O8 Pt8 -","8","1","","Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng","Mono- vs Bis(carbene) Complexes: A Detailed Study on Platinum(II)−Benzimidazolin-2-ylidenes","Organometallics","2007","26","18","4612","","10.1021/om700543p","","","0.71073","MoKα","","0.0444","0.0305","","","0.0636","0.0675","","","","","","1.022","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4073709","15.9742","0.0007","22.7462","0.0011","18.2842","0.0013","90","","90","","90","","6643.6","0.6","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H53 Ga O Yb -","- C34 H53 Ga O Yb -","- C272 H424 Ga8 O8 Yb8 -","8","1","","Wiecko, Michal; Roesky, Peter W.","Gallium(I)−Lanthanide(II) Donor−Acceptor Bonds","Organometallics","2007","26","19","4846","","10.1021/om7005672","","","0.71073","MoKα","","0.0425","0.0259","","","0.0469","0.0496","","","","","","1.004","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073712","19.945","0.0001","9.597","0.0002","31.168","0.0003","90","","90","","90","","5965.93","0.14","150","2","150","2","","","","","","","synthesized by the authors","4","P b c a","-P 2ac 2ab","61","","","","- C34 H40 O2 Sn -","- C34 H40 O2 Sn -","- C272 H320 O16 Sn8 -","8","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥","Organometallics","2007","26","25","6312","","10.1021/om700576n","","","0.71073","MoKα","","0.0618","0.0337","","","0.0748","0.0847","","","","","","1.034","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073720","18.062","0.0002","11.654","0.0003","18.445","0.0003","90","","90","","90","","3882.57","0.13","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl2 O2 Sn -","- C18 H22 Cl2 O2 Sn -","- C144 H176 Cl16 O16 Sn8 -","8","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul","Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥","Organometallics","2007","26","25","6312","","10.1021/om700576n","","","0.7107","MoKα","","0.0274","0.023","","","0.0615","0.0637","","","","","","1.03","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073744","20.091","0.003","19.288","0.002","29.998","0.004","90","","90","","90","","11625","3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H82 Li6 N4 -","- C64 H82 Li6 N4 -","- C512 H656 Li48 N32 -","8","1","","Koller, Jürgen; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S.","Synthesis and Characterization of (2,6-iPrNCN)HfCl2-and (3,5-MeNCN)2Hf2-(where NCN = 2,6-bis[phenylazanidyl]methylphenyl): New Trianionic Pincer Ligands","Organometallics","2007","26","22","5438","","10.1021/om700597u","","","0.71073","MoKα","","0.1887","0.0589","","","0.0916","0.1242","","","","","","0.874","","","","has coordinates,has disorder","178626","2020-10-21","18:00:00",""
"4073748","17.62","0.001","19.713","0.001","20.132","0.001","90","","90","","90","","6992.7","0.6","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Au F6 N3 O4 S2 -","- C29 H36 Au F6 N3 O4 S2 -","- C232 H288 Au8 F48 N24 O32 S16 -","8","1","","Ricard, Louis; Gagosz, Fabien","Synthesis and Reactivity of Air-Stable N-Heterocyclic Carbene Gold(I) Bis(trifluoromethanesulfonyl)imidate Complexes","Organometallics","2007","26","19","4704","","10.1021/om7006002","","","0.71069","MoKα","","0.044","0.0272","","","0.0713","0.0781","","","","","","1.031","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073766","16.2756","0.0018","18.041","0.002","23.284","0.003","90","","90","","90","","6836.8","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H38 N6 Ni O3 S -","- C38 H38 N6 Ni O3 S -","- C304 H304 N48 Ni8 O24 S8 -","8","1","","Liao, Chuang-Yi; Chan, Kai-Ting; Chang, Yu-Chuan; Chen, Chih-Yuan; Tu, Cheng-Yi; Hu, Ching-Han; Lee, Hon Man","Unexpected Solvent-Induced Cis/Trans Isomerization and Catalytic Application of a Bis-bidentate Nickel(II) Complex with N-Heterocyclic Carbene and Amido Functionalities","Organometallics","2007","26","24","5826","","10.1021/om700607m","","x-ray","0.71073","MoKα","","0.1138","0.0488","","","0.0998","0.1216","","","","","","1.008","","","","has coordinates,has disorder","178626","2020-10-21","18:00:00",""
"4073825","18.083","0.003","15.268","0.003","23.643","0.005","90","","90","","90","","6528","2","243.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H45 Cl2 N O Ti -","- C33 H45 Cl2 N O Ti -","- C264 H360 Cl16 N8 O8 Ti8 -","8","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.037","","","","0.0976","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073828","13.129","0.004","14.93","0.003","24.791","0.006","90","","90","","90","","4859","2","243.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H29 Cl2 N O Ti -","- C25 H29 Cl2 N O Ti -","- C200 H232 Cl16 N8 O8 Ti8 -","8","1","","Zhang, Hao; Katao, Shohei; Nomura, Kotohiro; Huang, Jiling","Synthesis of Half-Titanocenes Containing Phenoxy-imine Ligands and Their Use as Catalysts for Olefin Polymerization","Organometallics","2007","26","24","5967","","10.1021/om700660b","","","0.71075","MoKα","","","0.0443","","","","0.0973","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073871","17.636","0.004","17.126","0.003","35.532","0.007","90","","90","","90","","10732","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H41 B F20 N2 O3 W -","- C57 H41 B F20 N2 O3 W -","- C456 H328 B8 F160 N16 O24 W8 -","8","1","","Wu, Fan; Dioumaev, Vladimir K.; Szalda, David J.; Hanson, Jonathan; Bullock, R. Morris","A Tungsten Complex with a Bidentate, Hemilabile N-Heterocyclic Carbene Ligand, Facile Displacement of the Weakly Bound W−(CC) Bond, and the Vulnerability of the NHC Ligand toward Catalyst Deactivation during Ketone Hydrogenation","Organometallics","2007","26","20","5079","","10.1021/om700694e","","","0.922","synchrotron","","0.0952","0.0607","","","0.1539","0.1733","","","","","","1.047","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073940","10.106","0.002","22.497","0.005","30.43","0.006","90","","90","","90","","6918","2","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H54 Si9 -","- C18 H54 Si9 -","- C144 H432 Si72 -","8","1","","Wagner, Harald; Wallner, Andreas; Fischer, Jelena; Flock, Michaela; Baumgartner, Judith; Marschner, Christoph","Rearrangement of Cyclic Silanes with Aluminum Trichloride","Organometallics","2007","26","27","6704","","10.1021/om7007524","","","0.71073","MoKα","","0.0906","0.0763","","","0.1595","0.1656","","","","","","1.295","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073966","18.366","0.0018","14.5829","0.0015","19.565","0.002","90","","90","","90","","5240.1","0.9","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H48 N2 O14 P2 W2 -","- C54 H52 N2 O14 P2 W2 -","- C216 H208 N8 O56 P8 W8 -","4","0.5","","Darensbourg, Donald J.; Andreatta, Jeremy R.; Stranahan, Sarah M.; Reibenspies, Joseph H.","What is the Real Steric Impact of Triphenylphosphite? Solid-State and Solution Structural Studies ofcis- andtrans-Isomers of M(CO)4[P(OPh)3]2(M = Mo and W)","Organometallics","2007","26","27","6832","","10.1021/om700761q","","","0.71073","MoKα","","0.0569","0.0504","","","0.1237","0.1345","","","","","","1.084","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074025","11.3646","0.001","20.8314","0.0018","34.466","0.003","90","","90","","90","","8159.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 3","","","- C38 H68 Al N6 Na O -","- C38 H68 Al N6 Na O -","- C304 H544 Al8 N48 Na8 O8 -","8","1","","Cortes-Llamas, Sara A.; Muñoz-Hernández, Miguel-Ángel","Sodium Polypyrazolylaluminates: Synthesis, Characterization, and Isolation of a Reaction Intermediate of a Trispyrazolylaluminate","Organometallics","2007","26","27","6844","","10.1021/om700828b","","","0.71073","MoKα","","0.0607","0.0463","","","0.1148","0.1249","","","","","","0.946","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074084","12.8652","0.0004","17.5997","0.0004","19.9029","0.0007","90","","90","","90","","4506.5","0.2","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 K N3 Si3 -","- C16 H36 K N3 Si3 -","- C128 H288 K8 N24 Si24 -","8","1","","Coles, Martyn P.; Sözerli, Sebnem E.; Smith, J. David; Hitchcock, Peter B.","Metal Complexes of Guanidine-Substituted Alkyl Ligands: An Unsolvated Monomeric Two-Coordinate Organolithium","Organometallics","2007","26","27","6691","","10.1021/om700963c","","x-ray","0.71073","MoKα","","0.0525","0.0367","","","0.0844","0.0915","","","","","","1.033","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074200","16.7318","0.0002","16.5324","0.0002","18.7277","0.0003","90","","90","","90","","5180.4","0.12","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tetrakis-(2,4-dichloro-phenyl)stannane","","- C24 H12 Cl8 Sn -","- C24 H12 Cl8 Sn -","- C192 H96 Cl64 Sn8 -","8","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0371","0.0256","","","0.0546","0.0585","","","","","","1.083","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074213","10.0921","0.0002","17.0645","0.0003","33.8558","0.0006","90","","90","","90","","5830.53","0.19","90","0.2","90","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H41 Cl N2 P2 Ru -","- C29 H41 Cl N2 P2 Ru -","- C232 H328 Cl8 N16 P16 Ru8 -","8","1","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","0.71073","MoKα","","0.0851","0.0426","","","0.0963","0.1137","","","","","","1.057","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074230","12.731","0.003","14.117","0.003","29.964","0.006","90","","90","","90","","5385","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Co2 O6 Si4 -","- C17 H28 Co2 O6 Si4 -","- C136 H224 Co16 O48 Si32 -","8","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.1015","0.0975","","","0.1867","0.1884","","","","","","1.404","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074245","13.334","0.0001","8.558","0.0002","22.036","0.0004","90","","90","","90","","2514.58","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 O2 Sb -","- C10 H13 Cl2 O2 Sb -","- C80 H104 Cl16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0342","0.0261","","","0.06","0.0652","","","","","","1.14","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074247","14.028","0.0001","8.098","0.0002","25.426","0.0003","90","","90","","90","","2888.36","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 I2 O2 Sb -","- C10 H13 I2 O2 Sb -","- C80 H104 I16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0239","0.0206","","","0.0477","0.0496","","","","","","1.136","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074267","10.7234","0.0006","14.3049","0.0008","16.7704","0.001","90","","90","","90","","2572.5","0.3","115","2","115","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 F3 P Rh -","- C11 H17 F3 P Rh -","- C88 H136 F24 P8 Rh8 -","8","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0284","0.0251","","","0.0645","0.0662","","","","","","1.033","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074285","22.428","0.0001","14.053","0.0002","26.975","0.0003","90","","90","","90","","8502","0.16","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C32 H57 B18 Co O2 Sn -","- C32 H57 B18 Co O2 Sn -","- C256 H456 B144 Co8 O16 Sn8 -","8","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0889","0.047","","","0.1079","0.1273","","","","","","1.022","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074319","12.947","0.003","16.041","0.004","17.013","0.005","90","","90","","90","","3533.3","1.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H21 Fe N O S -","- C19 H21 Fe N O S -","- C152 H168 Fe8 N8 O8 S8 -","8","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.1556","0.1156","","","0.1996","0.2183","","","","","","1.325","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074340","10.3219","0.0006","11.117","0.0007","30.546","0.002","90","","90","","90","","3505.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl N O4 Si -","- C18 H20 Cl N O4 Si -","- C144 H160 Cl8 N8 O32 Si8 -","8","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0528","0.0373","","","0.0933","0.0998","","","","","","1.023","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074443","29.475","0.003","9.9062","0.0007","30.888","0.004","90","","90","","90","","9018.8","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H108 F18 Na2 O24 S6 U2 -","- C70 H108 F18 Na2 O24 S6 U2 -","- C280 H432 F72 Na8 O96 S24 U8 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.1423","0.0601","","","0.1063","0.1228","","","","","","0.979","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074526","13.9931","0.0007","15.0248","0.0007","21.9786","0.0012","90","","90","","90","","4620.9","0.4","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N O2 P W -","- C25 H30 N O2 P W -","- C200 H240 N8 O16 P8 W8 -","8","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0496","0.026","","","0.0545","0.0613","","","","","","1.091","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074543","15.896","0.003","16.054","0.003","18.968","0.003","90","","90","","90","","4840.5","1.5","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 N2 P Pd -","- C25 H27 Cl2 N2 P Pd -","- C200 H216 Cl16 N16 P8 Pd8 -","8","1","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","0.71073","MoKα","","0.0568","0.0442","","","0.0927","0.0976","","","","","","1.098","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074553","11.8225","0.0013","14.7615","0.0016","33.447","0.004","90","","90","","90","","5837.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H39 Al3 N3 P -","- C27 H39 Al3 N3 P -","- C216 H312 Al24 N24 P8 -","8","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0555","0.0446","","","0.1079","0.119","","","","","","1.112","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074623","15.497","0.003","8.758","0.0014","27.081","0.005","90","","90","","90","","3675.5","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Ga2 N4 -","- C18 H22 Ga2 N4 -","- C144 H176 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0705","0.0609","","","0.1429","0.1474","","","","","","0.998","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074624","8.9727","0.0018","17.608","0.003","26.764","0.005","90","","90","","90","","4228.5","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 Ga2 N4 -","- C21 H25 Ga2 N4 -","- C168 H200 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0622","0.0451","","","0.0982","0.1061","","","","","","1.039","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074656","31.612","0.003","16.459","0.002","8.331","0.002","90","","90","","90","","4334.6","1.2","291.2","","291.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Cl Ir N2 -","- C21 H34 Cl Ir N2 -","- C168 H272 Cl8 Ir8 N16 -","8","1","","Hanasaka, Fumihiro; Tanabe, Yusuke; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes and Facile Intramolecular Alkyl C−H Bond Activation Reactions of the Carbene Ligand","Organometallics","2006","25","4","826","","10.1021/om050723x","","","0.7107","MoKα","","0.0309","0.031","","0.035","","0.035","","","1.457","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074814","13.229","0.0008","15.9825","0.001","18.6367","0.0012","90","","90","","90","","3940.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H31 Au N P -","- C19 H31 Au N P -","- C152 H248 Au8 N8 P8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0309","0.0219","","","0.0532","0.0585","","","","","","1.016","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074815","13.3126","0.0011","16.7227","0.0014","18.1608","0.0015","90","","90","","90","","4043","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N P Pt -","- C19 H32 N P Pt -","- C152 H256 N8 P8 Pt8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0371","0.0257","","","0.0596","0.065","","","","","","1.06","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074816","17.2031","0.0009","14.297","0.0007","32.2154","0.0016","90","","90","","90","","7923.5","0.7","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C288 H464 B8 Cl8 F32 N16 P16 Pt16 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0584","0.0492","","","0.1129","0.1198","","","","","","1.298","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074890","16.0892","0.0003","18.456","0.0004","20.1698","0.0004","90","","90","","90","","5989.3","0.2","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 B N7 O W -","- C29 H38 B N7 O W -","- C232 H304 B8 N56 O8 W8 -","8","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.051","0.027","","0.026","0.024","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074951","6.3802","0.0006","5.9324","0.0004","21.8428","0.0017","90","","90","","90","","826.75","0.12","140","2","140","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 Cl Zn -","- C2 H5 Cl Zn -","- C16 H40 Cl8 Zn8 -","8","1","","Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred","Synthesis and Crystal Structure of Ethyl Zinc Chloride","Organometallics","2006","25","6","1525","1527","10.1021/om051043x","","","0.71073","Mo-Kα","","0.0233","0.0225","","","0.0548","0.055","","","","","","1.335","","","","has coordinates","209912","2020-10-21","18:00:00",""
"4074976","15.454","0.0003","14.694","0.0003","23.737","0.0003","90","","90","","90","","5390.22","0.17","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Fe N O8 P -","- C26 H32 Fe N O8 P -","- C208 H256 Fe8 N8 O64 P8 -","8","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0478","0.0441","","","0.1105","0.1124","","","","","","1.073","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074982","16.817","0.0003","18.4174","0.0003","37.6423","0.0006","90","","90","","90","","11658.8","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H84 Mg N4 Na2 O4 -","- C56 H84 Mg N4 Na2 O4 -","- C448 H672 Mg8 N32 Na16 O32 -","8","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1598","0.0668","","","0.1188","0.1488","","","","","","1.011","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4075016","19.7425","0.0001","24.6941","0.0001","38.1453","0.0002","90","","90","","90","","18596.7","0.16","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound 3a","","","- C80 H108 Cd F20 N2 O Pt2 -","- C80 H108 Cd F20 N2 O Pt2 -","- C640 H864 Cd8 F160 N16 O8 Pt16 -","8","1","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0908","0.0588","","","0.1612","0.1936","","","","","","1.069","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075018","13.42","0.005","18.214","0.012","31.5","0.02","90","","90","","90","","7700","8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0847","0.0749","","","0.1807","0.1896","","","","","","1.124","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075019","13.634","0.003","18.426","0.004","32.261","0.007","90","","90","","90","","8105","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0626","0.0552","","","0.1395","0.1451","","","","","","1.204","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075020","13.4117","0.0005","18.2367","0.0007","31.5142","0.0012","90","","90","","90","","7707.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0711","0.0375","","","0.0844","0.1028","","","","","","1.012","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075022","13.4402","0.0007","18.2669","0.001","31.5543","0.0018","90","","90","","90","","7746.9","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0672","0.0404","","","0.1022","0.1116","","","","","","0.963","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075023","13.582","0.003","18.654","0.004","32.019","0.006","90","","90","","90","","8112","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.1055","0.0902","","","0.2619","0.2755","","","","","","1.146","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075025","13.448","0.003","18.352","0.004","31.591","0.007","90","","90","","90","","7797","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb2 Si2 -","- C30 H54 N4 P2 Pb2 Si2 -","- C240 H432 N32 P16 Pb16 Si16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0743","0.0324","","","0.059","0.0673","","","","","","0.876","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075027","12.5944","0.0012","12.1571","0.0009","17.0443","0.0014","90","","90","","90","","2609.7","0.4","73","2","73","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","RhIPTN(Me)CO","","","- C8 H16 I N3 O P Rh -","- C8 H16 I N3 O P Rh -","- C64 H128 I8 N24 O8 P8 Rh8 -","8","1","","Phillips, Andrew D.; Bolaño, Sandra; Bosquain, Sylvain S.; Daran, Jean-Claude; Malacea, Raluca; Peruzzini, Maurizio; Poli, Rinaldo; Gonsalvi, Luca","A New Class of Rhodium(I) κ1-Pand κ2-P,NComplexes with Rigid PTN(R) Ligands (PTN = 7-Phospha-3-methyl-1,3,5-triazabicyclo[3.3.1]nonane)","Organometallics","2006","25","9","2189","","10.1021/om051099r","","","0.71073","MoKα","","0.0452","0.0344","","","0.0787","0.084","","","","","","1.082","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075029","16.2821","0.001","12.3917","0.0008","27.172","0.0017","90","","90","","90","","5482.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(eta1-[2.2.2]paracyclophane)- tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)","","- C56 H48 F12 O8 Rh2 -","- C56 H48 F12 O8 Rh2 -","- C224 H192 F48 O32 Rh8 -","4","0.5","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0601","0.0503","","","0.1316","0.1413","","","","","","1.03","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075092","16.8836","0.0005","7.7972","0.0003","17.912","0.0006","90","","90","","90","","2358.02","0.14","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 Pt -","- C12 H15 N3 Pt -","- C96 H120 N24 Pt8 -","8","1","","Britovsek, George J. P.; Taylor, Russell A.; Sunley, Glenn J.; Law, David J.; White, Andrew J. P.","Protonation of Platinum(II) Dialkyl Complexes Containing Ligands with Proximate H-Bonding Substituents","Organometallics","2006","25","8","2074","","10.1021/om060036l","","","0.71073","MoKα","","0.0478","0.0472","","","0.1227","0.1233","","","","","","1.279","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075114","12.1448","0.0007","16.2297","0.0011","29.596","0.002","90","","90","","90","","5833.6","0.7","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B9 Mo N3 O -","- C22 H42 B9 Mo N3 O -","- C176 H336 B72 Mo8 N24 O8 -","8","1","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0651","0.0352","","","0.0774","0.0863","","","","","","1.03","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075168","15.5538","0.0006","15.3753","0.0006","28.002","0.0011","90","","90","","90","","6696.5","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Ti -","- C23 H49 B10 N4 O P Ti -","- C184 H392 B80 N32 O8 P8 Ti8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.0929","0.0551","","","0.1532","0.1834","","","","","","1.062","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075169","15.7404","0.0008","15.3928","0.0007","27.9697","0.0013","90","","90","","90","","6776.7","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Zr -","- C23 H49 B10 N4 O P Zr -","- C184 H392 B80 N32 O8 P8 Zr8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1525","0.0909","","","0.2156","0.2785","","","","","","1.096","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075182","13.8835","0.0002","18.8229","0.0003","24.528","0.0005","90","","90","","90","","6409.85","0.19","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","[PhNMe2(CH2Cl)][B(ArF)4]","","- C33 H13 B Cl F20 N -","- C33 H13 B Cl F20 N -","- C264 H104 B8 Cl8 F160 N8 -","8","1","","Bolton, Paul D.; Clot, Eric; Adams, Nico; Dubberley, Stuart R.; Cowley, Andrew R.; Mountford, Philip","Experimental and DFT Studies of Cationic Imido Titanium Alkyls: Agostic Interactions and C−H Bond and Solvent Activation Reactions of Isolobal Analogues of Group 4 Metallocenium Cations","Organometallics","2006","25","11","2806","","10.1021/om060096r","","","0.71073","MoKα","","","0.0372","","","","0.0396","","","","","","1.0698","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075192","13.181","0.004","17.03","0.005","24.82","0.008","90","","90","","90","","5571","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl2 Cr N P2 -","- C28 H29 Cl2 Cr N P2 -","- C224 H232 Cl16 Cr8 N8 P16 -","8","1","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.1185","0.06","","","0.1128","0.1366","","","","","","1.031","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075206","13.883","0.0008","14.5367","0.0007","17.2427","0.0008","90","","90","","90","","3479.8","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B7 Co2 O6 -","- C10 H15 B7 Co2 O6 -","- C80 H120 B56 Co16 O48 -","8","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.1133","0.0784","","","0.2005","0.225","","","","","","1.06","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075253","14.3366","0.001","21.9394","0.0015","29.751","0.002","90","","90","","90","","9357.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H42 Fe N6 O Sn2 -","- C47 H42 Fe N6 O Sn2 -","- C376 H336 Fe8 N48 O8 Sn16 -","8","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0835","0.051","","","0.1235","0.1414","","","","","","0.979","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075300","12.8641","0.0006","12.9076","0.0006","18.1202","0.0008","90","","90","","90","","3008.8","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C88 H144 B80 -","8","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0808","0.0577","","","0.163","0.1889","","","","","","1.039","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075319","17.465","0.007","15.145","0.007","17.87","0.008","90","","90","","90","","4727","4","293.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F6 N2 P Pt -","- C24 H25 F6 N2 P Pt -","- C192 H200 F48 N16 P8 Pt8 -","8","1","","Suzaki, Yuji; Osakada, Kohtaro","Chemical Properties of Mononuclear and Dinuclear Phenylplatinum(II) Hydroxo Complexes with Cod Ligands. Transmetalation of Arylboronic Acids, Coupling of the Phenyl Ligands, and Carbonylation","Organometallics","2006","25","13","3251","","10.1021/om060206u","","","0.7107","MoKα","","","0.0418","","","","0.0762","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075350","15.4164","0.0009","13.1723","0.0007","21.0485","0.0004","90","","90","","90","","4274.3","0.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O3 Ru -","- C27 H31 N O3 Ru -","- C216 H248 N8 O24 Ru8 -","8","1","","Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki","Formation of Divalent Ruthenacycles via Oxidative Cyclization of 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides: An Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of 1,3,5-Trienes and Alkenes","Organometallics","2006","25","12","2934","","10.1021/om060242t","","","0.71069","MoKα","","","0.0442","","","","0.1126","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075374","19.9908","0.0011","16.7232","0.0009","20.0723","0.0011","90","","90","","90","","6710.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H23 Al F15 Ta -","- C37 H23 Al F15 Ta -","- C296 H184 Al8 F120 Ta8 -","8","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.0398","0.0251","","","0.0587","0.0679","","","","","","1.059","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075380","16.4719","0.0008","17.0792","0.0007","22.1152","0.0014","90","","90","","90","","6221.6","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 O3 Ti -","- C38 H38 O3 Ti -","- C304 H304 O24 Ti8 -","8","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0779","0.0472","","","0.1193","0.1306","","","","","","0.952","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075386","19.961","0.002","15.566","0.001","26.987","0.002","90","","90","","90","","8385.2","1.2","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C49 H61 La N2 O -","- C49 H61 La N2 O -","- C392 H488 La8 N16 O8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0826","0.0423","","","0.0903","0.1077","","","","","","1.025","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075388","18.3872","0.0009","18.3346","0.0009","27.242","0.001","90","","90","","90","","9183.9","0.7","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C54 H66 B La O4 -","- C54 H66 B La O4 -","- C432 H528 B8 La8 O32 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0604","0.0365","","","0.0775","0.0859","","","","","","1.016","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075439","17.775","0.002","20.181","0.002","30.309","0.003","90","","90","","90","","10872","2","100","1","100","1","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C54 H88 B N4 O2 Si2 Y -","- C50 H80 B N4 O Si2 Y -","- C400 H640 B8 N32 O8 Si16 Y8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1218","0.0622","","","0.1444","0.1637","","","","","","0.972","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075463","12.6356","0.0007","19.2328","0.0011","24.6795","0.0014","90","","90","","90","","5997.6","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H39.5 N2 Ni S -","- C36 H39.5 N2 Ni S -","- C288 H316 N16 Ni8 S8 -","8","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0598","0.0473","","","0.132","0.1374","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075508","15.4404","0.0004","14.5893","0.0005","18.4586","0.0005","90","","90","","90","","4158.1","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H40 Li N3 Zn -","- C17 H40 Li N3 Zn -","- C136 H320 Li8 N24 Zn8 -","8","1","","Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Lithium Dimethyl(amido)zinc Complexes: Contrasting Zincate (Amido = TMP) and Inverse Zincate (Amido = HMDS) Structures on Addition of TMEDA","Organometallics","2006","25","14","3297","","10.1021/om060334i","","","0.71073","MoKα","","0.102","0.0414","","","0.0664","0.0806","","","","","","1.006","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075560","16.2785","0.0002","16.9519","0.0002","27.6714","0.0005","90","","90","","90","","7635.96","0.19","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H54 O2 Si Ti -","- C44 H54 O2 Si Ti -","- C352 H432 O16 Si8 Ti8 -","8","1","","González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt","Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2","Organometallics","2006","25","18","4358","","10.1021/om060368q","","","0.71073","MoKα","","0.0783","0.061","","","0.1089","0.1146","","","","","","1.204","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075578","21.235","0.006","11.528","0.003","24.514","0.007","90","","90","","90","","6001","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B9 Cl3 Ir2 O S2 -","- C20 H38 B9 Cl3 Ir2 O S2 -","- C160 H304 B72 Cl24 Ir16 O8 S16 -","8","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0653","0.0369","","","0.0732","0.0838","","","","","","1.012","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075587","13.481","0.002","17.536","0.003","23.734","0.004","90","","90","","90","","5610.8","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H45 I N2 Si4 Sn -","- C17 H45 I N2 Si4 Sn -","- C136 H360 I8 N16 Si32 Sn8 -","8","1","","Bartolin, Jeffrey M.; Kavara, Ajdin; Kampf, Jeff; Banaszak Holl, Mark M.","Tin-Mediated CH Activation and Cross-Coupling in a Single Flask","Organometallics","2006","25","20","4738","","10.1021/om060388s","","","0.71073","MoKα","","0.0243","0.0202","","","0.0475","0.0493","","","","","","1.104","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075612","18.1068","0.0011","20.7282","0.0013","20.7627","0.0013","90","","90","","90","","7792.7","0.8","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H33 N4 O15 P Pt -","- C37 H33 N4 O15 P Pt -","- C296 H264 N32 O120 P8 Pt8 -","8","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.027","0.0191","","","0.0462","0.0495","","","","","","1.028","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075638","10.4699","0.001","23.469","0.002","23.67","0.002","90","","90","","90","","5816.1","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Cl2 Fe2 N O4 -","- C28 H25 Cl2 Fe2 N O4 -","- C224 H200 Cl16 Fe16 N8 O32 -","8","1","","Zhang, Lei; Zhang, Shu; Xu, Qiang; Sun, Jie; Chen, Jiabi","Cyclooctatetraene (COT)-Coordinated Diiron Carbene Complexes and Their Remarkable Thermolysis Reactions†","Organometallics","2005","24","5","933","","10.1021/om040101w","","","0.71073","MoKα","","0.1672","0.0741","","","0.1653","0.2006","","","","","","0.944","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075643","12.6248","0.0001","17.9528","0.0001","27.0927","0.0002","90","","90","","90","","6140.57","0.07","173","1","173","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H38 N3 O2 P Pd -","- C35 H38 N3 O2 P Pd -","- C280 H304 N24 O16 P8 Pd8 -","8","1","","Frey, Guido D.; Schütz, Jan; Herdtweck, Eberhardt; Herrmann, Wolfgang A.","Synthesis and Characterization ofN-Heterocyclic Carbene Phospha-Palladacycles and Their Properties in Heck Catalysis†","Organometallics","2005","24","18","4416","","10.1021/om049001g","","","0.71073","MoKα","","0.0384","0.0291","","","0.0679","0.0717","","","","","","1.035","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075678","26.1543","0.0014","15.383","0.0008","31.5394","0.0017","90","","90","","90","","12689.3","1.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H73 O2 P2 Pt -","- C78 H73 O2 P2 Pt -","- C624 H584 O16 P16 Pt8 -","8","1","","Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R.","Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes","Organometallics","2005","24","6","1161","","10.1021/om0490987","","","0.71073","MoKα","","0.0978","0.0509","","","0.1009","0.1116","","","","","","1.017","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075700","10.146","0.003","15.736","0.005","34.459","0.012","90","","90","","90","","5502","3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 S2 -","- C17 H25 B10 Co2 Ir O5 S2 -","- C136 H200 B80 Co16 Ir8 O40 S16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0491","0.0381","","","0.0935","0.0986","","","","","","1.208","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075701","10.154","0.003","16.051","0.004","34.606","0.01","90","","90","","90","","5640","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 Ir O5 Se2 -","- C17 H25 B10 Co2 Ir O5 Se2 -","- C136 H200 B80 Co16 Ir8 O40 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0719","0.049","","","0.0964","0.113","","","","","","1.168","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075702","18.076","0.007","14.012","0.005","19.787","0.007","90","","90","","90","","5012","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B10 Fe Ir O3 Se2 -","- C15 H25 B10 Fe Ir O3 Se2 -","- C120 H200 B80 Fe8 Ir8 O24 Se16 -","8","1","","Wang, Jian-Qiang; Hou, Xiufeng; Weng, Linhong; Jin, Guo-Xin","Synthesis and Structure of Heterometallic Clusters (IrCo2, IrFe) Containing Bridging 1,2-Dicarba-closo-dodecaborane-1,2-dichalocogenolato Ligands","Organometallics","2005","24","5","826","","10.1021/om049185z","","","0.71073","MoKα","","0.0577","0.0314","","","0.0648","0.0769","","","","","","1.062","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075817","16.191","0.003","15.763","0.003","19.781","0.004","90","","90","","90","","5048.5","1.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H32 B9 Rh -","- C24 H32 B9 Rh -","- C192 H256 B72 Rh8 -","8","1","","Safronov, Alexander V.; Dolgushin, Fedor M.; Petrovskii, Pavel V.; Chizhevsky, Igor T.","Low-Temperature “1,2 →1,7” Isomerization of Sterically Crowded Icosahedralcloso-((2,3,8-η3):(5,6-η2)- Norbornadien-2-yl)rhodacarborane via the Formation of a Pseudocloso Intermediate. Molecular Structures of [3,3-((2,3,8-η3):(5,6-η2)-C7H7CH2)-1,2-(4‘-MeC6H4)2- 3,1,2-pseudocloso-RhC2B9H9] and 1,2 →1,7 Isomerized Products","Organometallics","2005","24","12","2964","","10.1021/om050125i","","","0.71073","MoKα","","0.1223","0.0419","","","0.0935","0.109","","","","","","0.849","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4075825","10.141","0.004","14.429","0.004","24.061","0.007","90","","90","","90","","3521","2","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H26 B8 Ru -","- C13 H26 B8 Ru -","- C104 H208 B64 Ru8 -","8","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.1177","0.0608","","","0.1251","0.1411","","","","","","1.02","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075856","20.4244","0.0005","19.9666","0.0005","29.2898","0.0008","90","","90","","90","","11944.6","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Al N6 P2 Si4 Ta2 -","- C52 H73 Al N6 P2 Si4 Ta2 -","- C416 H584 Al8 N48 P16 Si32 Ta16 -","8","1","","MacKay, Bruce A.; Patrick, Brian O.; Fryzuk, Michael D.","Hydroalumination of a Dinuclear Tantalum Dinitrogen Complex: N−N Bond Cleavage and Ancillary Ligand Rearrangement","Organometallics","2005","24","16","3836","","10.1021/om050208z","","","0.71069","MoKα","","0.0771","0.0344","","","0.0726","0.087","","","","","","0.833","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"4075937","17.5179","0.0013","11.9804","0.0009","25.3939","0.0019","90","","90","","90","","5329.5","0.7","293","2","258","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","mono adduct of 1,4 diphenylbutadiyne (5)","","","- C29 H26 Mo2 S4 -","- C29 H26 Mo2 S4 -","- C232 H208 Mo16 S32 -","8","1","","Newell, Rachel; Ohman, Claire; Rakowski DuBois, M.","Reactions of Sulfido-Bridged Molybdenum Dimers with Diynes as a Route to Multinuclear Dithiolene Complexes","Organometallics","2005","24","18","4406","","10.1021/om050317d","","","0.71073","MoKα","","0.1884","0.0802","","","0.1511","0.192","","","","","","0.951","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075948","7.732","0.001","18.38","0.001","33.917","0.001","90","","90","","90","","4820.1","0.7","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl P Zr -","- C28 H26 Cl P Zr -","- C224 H208 Cl8 P8 Zr8 -","8","1","","Spies, Patrick; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Grimme, Stefan; Mück-Lichtenfeld, Christian","Reaction of Rosenthal's Zirconacyclocumulenes with Chlorophosphines","Organometallics","2005","24","20","4742","","10.1021/om050336n","","","0.71073","MoKα","","0.056","0.0349","","","0.0761","0.083","","","","","","1.016","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4076086","20.3845","0.0008","21.7255","0.0008","43.1498","0.0019","90","","90","","90","","19109.5","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44.5 H63 N2 P3 Ru Si4 -","- C44.5 H63 N2 P3 Ru Si4 -","- C712 H1008 N32 P48 Ru16 Si64 -","16","2","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.71069","MoKα","","0.0831","0.0642","","","0.1484","0.1581","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076102","12.527","0.001","13.747","0.001","15.721","0.001","90","","90","","90","","2707.3","0.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Cl2 N Ti -","- C13 H13 Cl2 N Ti -","- C104 H104 Cl16 N8 Ti8 -","8","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.043","0.0313","","","0.0746","0.0801","","","","","","1.027","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076110","10.123","0.002","15.764","0.004","34.566","0.008","90","","90","","90","","5516","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh S2 -","- C17 H25 B10 Co2 O5 Rh S2 -","- C136 H200 B80 Co16 O40 Rh8 S16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0756","0.0535","","","0.1034","0.1204","","","","","","1.172","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076111","10.129","0.002","16.048","0.004","34.604","0.008","90","","90","","90","","5625","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H25 B10 Co2 O5 Rh Se2 -","- C17 H25 B10 Co2 O5 Rh Se2 -","- C136 H200 B80 Co16 O40 Rh8 Se16 -","8","1","","Cai, Shuyi; Jin, Guo-Xin","Heteronuclear Tungsten and Cobalt Derivatives of the 16-Electron Half-Sandwich Complex Cp*Rh[E2C2(B10H10)] (E = S, Se)","Organometallics","2005","24","22","5280","","10.1021/om050598p","","","0.71073","MoKα","","0.0672","0.0429","","","0.0802","0.0882","","","","","","1.059","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076165","17.4129","0.0004","21.1733","0.0005","26.7744","0.0006","90","","90","","90","","9871.4","0.4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C53 H81 Al N6 O -","- C53 H81 Al N6 O -","- C424 H648 Al8 N48 O8 -","8","1","","Zhu, Hongping; Yang, Zhi; Magull, Jörg; Roesky, Herbert W.; Schmidt, Hans-Georg; Noltemeyer, Mathias","Syntheses and Structural Characterization of a LAl(N3)N[μ-Si(N3)(tBu)]2NAl(N3)L and a Monomeric Aluminum Hydride Amide LAlH(NHAr) (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2005","24","26","6420","","10.1021/om050698v","","","0.71073","MoKα","","0.0586","0.0418","","","0.1057","0.1124","","","","","","1.036","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076260","20.337","0.001","14.775","0.001","23.608","0.001","90","","90","","90","","7093.7","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H45 I N O3 P Pd -","- C36 H45 I N O3 P Pd -","- C288 H360 I8 N8 O24 P8 Pd8 -","8","1","","Solé, Daniel; Vallverdú, Lluís; Solans, Xavier; Font-Bardia, Mercè; Bonjoch, Josep","Synthesis and Reactivity of Four-Membered Azapalladacycles Derived fromN,N-Dialkyl-2-iodoanilines: Insertion Reactions of Carbenes into the Carbon−Palladium Bond","Organometallics","2004","23","6","1438","","10.1021/om034270c","","","0.71069","MoKα","","0.2744","0.076","","","0.155","0.2117","","","","","","0.872","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076339","16.835","0.0011","10.0153","0.0006","23.5193","0.0014","90","","90","","90","","3965.5","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H21 N2 P -","- C25 H21 N2 P -","- C200 H168 N16 P8 -","8","1","","Tan, Runyu; Chiu, Frederick Sin Nang; Hadzovic, Alen; Song, Datong","Construction of Rhodium(I) and Gold(I) Macrocycles by Transferring a Phosphine-Functionalized 4,5-Diazafluorenide Ligand from Its Copper(I) N-Heterocyclic Carbene Complex","Organometallics","2012","31","6","2184","","10.1021/om200994b","","","0.71073","MoKα","","0.1408","0.0564","","","0.1143","0.1423","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076371","16.49","0.0005","31.31","0.001","17.71","0.0005","90","","90","","90","","9143.7","0.5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55.5 H43 Cl O P3 Rh Si -","- C55.5 H43 Cl O P3 Rh Si -","- C444 H344 Cl8 O8 P24 Rh8 Si8 -","8","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Synthesis and Reactivity of Rhodium Complexes Bearing [E(o-C6H4PPh2)3]-Type Tetradentate Ligands (E = Si, Ge, and Sn)","Organometallics","2012","31","6","2212","","10.1021/om2011276","","","0.7107","MoKα","","0.0458","0.0433","","","0.084","0.085","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076417","12.8813","0.001","16.6456","0.0013","32.319","0.002","90","","90","","90","","6929.7","0.9","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H51 N4 Nb -","- C35 H51 N4 Nb -","- C280 H408 N32 Nb8 -","8","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Menot, Bérengère; Fernández-Galán, Rafael; Villaseñor, Elena; Otero, Antonio","New Alkylimido Niobium Complexes Supported by Guanidinate Ligands: Synthesis, Characterization, and Migratory Insertion Reactions","Organometallics","2012","31","5","1840","","10.1021/om201192w","","","0.71073","MoKα","","0.1506","0.0615","","","0.1211","0.1496","","","","","","0.977","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076447","9.1974","0.0002","15.1196","0.0004","24.5587","0.0008","90","","90","","90","","3415.16","0.16","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","JMM02047","JMM02047","","- C17 H29 Ir N2 -","- C17 H29 Ir N2 -","- C136 H232 Ir8 N16 -","8","1","","Meredith, Joseph M.; Robinson, Robert; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","C‒H Bond Activation by Cationic Iridium(III) NHC Complexes: A Combined Experimental and Computational Study","Organometallics","2012","31","5","1879","","10.1021/om2012166","","","0.71073","MoKα","","0.0967","0.0371","","","0.0799","0.0984","","","","","","0.89","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076572","14.0313","0.0012","15.0391","0.0013","18.2127","0.0016","90","","90","","90","","3843.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","11167b","","","- C21 H18 Cl Mo O2 P -","- C21 H18 Cl Mo O2 P -","- C168 H144 Cl8 Mo8 O16 P8 -","8","1","","Fischer, Paul J.; Neary, Michelle C.; Avena, Laura; Sullivan, Kevin P.; Hackbarth, Kent C.","Dicarbonyl{[2-(diphenylphosphino)ethyl]cyclopentadienyl} Group VI Metal Hydrides, Halides, and Anions: Precursors for Olefin Epoxidation Catalysts","Organometallics","2012","31","6","2437","","10.1021/om300057n","","","0.71073","MoKα","","0.0348","0.0258","","","0.0589","0.0635","","","","","","1.018","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076630","7.429","0.0001","13.7402","0.0002","26.0687","0.0004","90","","90","","90","","2660.99","0.07","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 Ni O2 -","- C16 H14 N2 Ni O2 -","- C128 H112 N16 Ni8 O16 -","8","1","","DiMauro, Erin F.; Kozlowski, Marisa C.","Late-Transition-Metal Complexes of BINOL-Derived Salens: Synthesis, Structure, and Reactivity","Organometallics","2002","21","7","1454","","10.1021/om010571f","","","0.71069","MoKα","","0.072","0.0629","","0.1253","0.1198","","","","1.304","1.305","1.305","","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076711","22.112","0.0003","21.537","0.0004","27.987","0.0005","90","","90","","90","","13328.1","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 B22 Li N2 O6 Sm -","- C46 H90 B22 Li N2 O6 Sm -","- C368 H720 B176 Li8 N16 O48 Sm8 -","8","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0794","0.0612","","","0.1683","0.184","","","","","","1.015","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076713","22.2311","0.001","21.2643","0.001","27.965","0.0014","90","","90","","90","","13219.9","1.1","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H90 B22 Li N2 O6 Yb -","- C46 H90 B22 Li N2 O6 Yb -","- C368 H720 B176 Li8 N16 O48 Yb8 -","8","1","","Zi, Guofu; Li, Hung-Wing; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†","Organometallics","2002","21","6","1136","","10.1021/om010973n","","","0.71073","MoKα","","0.0958","0.0474","","","0.1183","0.1537","","","","","","1.068","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076762","11.959","0.0017","16.271","0.003","21.31","0.003","90","","90","","90","","4146.6","1.1","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H58 O6 Ti2 -","- C44 H58 O6 Ti2 -","- C176 H232 O24 Ti8 -","4","0.5","","Knjazhanski, Sergei Ya.; Cadenas, Gregorio; García, Maricela; Pérez, Catalina M.; Nifant'ev, Ilya E.; Kashulin, Igor A.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","(Fluorenyl)titanium Triisopropoxide and Bis(fluorenyl)titanium Diisopropoxide: A Facile Synthesis, Molecular Structure, and Catalytic Activity in Styrene Polymerization","Organometallics","2002","21","15","3094","","10.1021/om011080y","","","0.71073","MoKα","","0.0808","0.06","","","0.1467","0.1618","","","","","","1.107","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076847","15.4663","0.0013","13.7007","0.0011","23.544","0.002","90","","90","","90","","4989","0.7","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cr N6 O4 -","- C16 H36 Cr N6 O4 P2 -","- C128 H288 Cr8 N48 O32 P16 -","8","1","","Brunet, Jean-Jacques; Diallo, Ousmane; Donnadieu, Bruno; Roblou, Emmanuel","Ligand Substitution Processes on Carbonylmetal Derivatives. 3.1Reaction of Hydridopentacarbonylchromates with Phosphines","Organometallics","2002","21","16","3388","","10.1021/om020130b","","","0.71073","MoKα","","0.1118","0.0733","","","0.1216","0.1376","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076864","21.091","0.005","23.371","0.006","8.772","0.003","90","","90","","90","","4324","2","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","eta(6)-C6H6Fe(2,3-Et2C2B4H3)-5-PhCr(CO)3","","- C21 H24 B4 Cr Fe O3 -","- C21 H24 B4 Cr Fe O3 -","- C168 H192 B32 Cr8 Fe8 O24 -","8","1","","Russell, J. Monte; Sabat, Michal; Grimes, Russell N.","Organotransition-Metal Metallacarboranes. 59.1Synthesis and Linkage of Boron-Functionalized Ferracarborane Clusters","Organometallics","2002","21","20","4113","","10.1021/om020158n","","","0.71069","MoKα","","0.0324","0.046","","","0.065","0.0727","","","","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076879","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C33 H60 Li N4 O Si2 Ta -","- C264 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Schmidt, Joseph A. R.; Arnold, John","Reactions of a Triazacyclononane-Supported Tantalum−Lithium Bridging Alkylidene with Organic Substrates","Organometallics","2002","21","16","3426","","10.1021/om020175c","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","0.0283","","","","","","0.79","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076886","15.7617","0.0018","15.8066","0.0018","17.8368","0.0019","90","","90","","90","","4443.8","0.9","203","2","203","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H44 Cr -","- C20 H44 Cr -","- C160 H352 Cr8 -","8","1","","Schulzke, Carola; Enright, Dave; Sugiyama, Hiroyasu; LeBlanc, Guy; Gambarotta, Sandro; Yap, Glenn P. A.; Thompson, Laurence K.; Wilson, David R.; Duchateau, Rob","The Unusual Stability of Homoleptic Di- and Tetravalent Chromium Alkyls","Organometallics","2002","21","18","3810","","10.1021/om020237z","","","0.71073","MoKα","","0.1461","0.0873","","","0.2965","0.3154","","","","","","1.085","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00",""
"4076912","7.0727","0.0003","13.0378","0.0006","29.0898","0.0014","90","","90","","90","","2682.4","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cr N O3 S2 -","- C11 H11 Cr N O3 S2 -","- C88 H88 Cr8 N8 O24 S16 -","8","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Leung, Pak Hing","Synthetic and Structural Study of Cyclopentadienylchromium Dithiocarbamate Complexes and Their Thermolytic Derivatives","Organometallics","2002","21","21","4398","","10.1021/om0202930","","","0.71073","MoKα","","0.057","0.042","","","0.0889","0.094","","","","","","0.98","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076922","12.7127","0.0004","16.0862","0.0005","18.3629","0.0006","90","","90","","90","","3755.2","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cr N2 O3 -","- C18 H26 Cr N2 O3 -","- C144 H208 Cr8 N16 O24 -","8","1","","Goh, Lai Yoong; Weng, Zhiqiang; Hor, Andy T. S.; Leong, Weng Kee","Organometallic Radical-Initiated Carbon−Sulfur Bond Cleavage and Carbon−Carbon Coupling in Dithiocarbamate and Thiocarbenoid Cyclopentadienylchromium Complexes","Organometallics","2002","21","21","4408","","10.1021/om020294s","","","0.71073","MoKα","","0.0855","0.0537","","","0.1182","0.1312","","","","","","0.964","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076936","14.646","0.004","12.629","0.007","32.278","0.009","90","","90","","90","","5970","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 4a","","","- C68 H64 Fe2 O8 Os2 -","- C68 H64 Fe2 O8 Os2 -","- C272 H256 Fe8 O32 Os8 -","4","0.5","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.05","0.0308","","","0.0685","0.0756","","","","","","1.013","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076982","17.8561","0.0009","16.5768","0.0008","18.0698","0.0009","90","0.001","90","0.001","90","0.001","5348.6","0.5","137.2","","137.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H44 I N3 Si Yb -","- C23 H44 I N3 Si Yb -","- C184 H352 I8 N24 Si8 Yb8 -","8","1","","Giesbrecht, Garth R.; Cui, Chunming; Shafir, Alexandr; Schmidt, Joseph A. R.; Arnold, John","Divalent Lanthanide Metal Complexes of a Triazacyclononane-Functionalized Tetramethylcyclopentadienyl Ligand: X-ray Crystal Structures of [C5Me4SiMe2(iPr2-tacn)]LnI (Ln = Sm, Yb; tacn = 1,4-Diisopropyl-1,4,7-triazacyclononane)","Organometallics","2002","21","18","3841","","10.1021/om020372b","","","0.7107","MoKα","","0.0644","0.021","","0.0308","0.021","0.021","","","","","","0.64","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077027","16.4801","0.0002","16.5822","0.0002","19.6949","0.0003","90","","90","","90","","5382.15","0.12","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H42 F3 O4 P2 Rh S -","- C20 H42 F3 O4 P2 Rh S -","- C160 H336 F24 O32 P16 Rh8 S8 -","8","1","","Bleeke, John R.; Donnay, Edward; Rath, Nigam P.","Oxapentadienyl−Rhodium−Phosphine Chemistry1","Organometallics","2002","21","20","4099","","10.1021/om020429u","","","0.71073","MoKα","","0.0644","0.0328","","","0.0679","0.0886","","","","","","1.096","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00",""
"4077028","16.2681","0.0001","13.8952","0.0001","24.5341","0.0002","90","","90","","90","","5545.9","0.07","193","","193","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C29 H40 Al Si Y -","- C29 H40 Al Si Y -","- C232 H320 Al8 Si8 Y8 -","8","1","","Klimpel, Michael G.; Eppinger, Jörg; Sirsch, Peter; Scherer, Wolfgang; Anwander, Reiner","The Lanthanide Ziegler−Natta Model: Aluminum-Mediated Chain Transfer","Organometallics","2002","21","20","4021","","10.1021/om020440u","","","0.71073","MoKa","","0.0633","0.0339","","","0.0799","0.0851","","","","","","0.86","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077030","15.674","0.004","16.711","0.004","17.955","0.004","90","","90","","90","","4703","2","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[RuTp(m-apic)Cl]2.2(O(C2H5)2) = (5b.2(O(C2H5)2)","","","- C38 H56 B2 Cl2 N16 O2 Ru2 -","- C38 H56 B2 Cl2 N16 O2 Ru2 -","- C152 H224 B8 Cl8 N64 O8 Ru8 -","4","0.5","","Rüba, Eva; Hummel, Alexandra; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl","Ruthenium Trispyrazolylborate Complexes. 18.1Aminocarbene Ruthenium Complexes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2002","21","23","4955","","10.1021/om020441m","","","0.71073","MoKα","","0.0701","0.0372","","","0.0846","0.1041","","","","","","1.093","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077072","6.984","0.001","22.873","0.001","23.788","0.001","90","","90","","90","","3800","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Fe N2 O3 -","- C21 H16 Fe N2 O3 -","- C168 H128 Fe8 N16 O24 -","8","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.1318","0.0411","","","0.0966","0.169","","","","","","0.944","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077173","14.112","0.007","14.793","0.009","15.233","0.01","90","","90","","90","","3180","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H19 Fe N3 O4 Si -","- C10 H19 Fe N3 O4 Si -","- C80 H152 Fe8 N24 O32 Si8 -","8","1","","Braunstein, Pierre; Veith, Michael; Blin, Joël; Huch, Volker","New Mono- and Polynuclear Iron Silylene and Stannylene Complexes","Organometallics","2001","20","4","627","","10.1021/om000515z","","","0.71073","MoKα","","0.0464","0.0322","","","0.0737","0.0836","","","","","","1.065","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077189","13.5997","0.0005","13.2814","0.0005","15.1233","0.0006","90","","90","","90","","2731.62","0.18","93","2","93","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","η^6^-Hexamethylbenzenechromium(0)tricarbonyl","","- C15 H18 Cr O3 -","- C15 H18 Cr O3 -","- C120 H144 Cr8 O24 -","8","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0322","0.0254","","0.0874","0.0722","","","","1.011","1.028","1.028","","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077227","9.8686","0.0015","18.51","0.003","27.427","0.004","90","","90","","90","","5010","1.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H33 N2 Ti -","- C31 H33 N2 Ti -","- C248 H264 N16 Ti8 -","8","1","","Greidanus, Grace; McDonald, Robert; Stryker, Jeffrey M.","Crystallographic Investigation of Substituted Allyl and Titanacyclobutane Complexes of Bis(2-N,N-dialkylaminoindenyl)titanium. Structure and Reactivity as a Function of the Dialkylamino Substituents","Organometallics","2001","20","12","2492","","10.1021/om000799n","","","0.71073","MoKα","","0.2104","0.0772","","","0.1721","0.2241","","","","","","0.837","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077246","15.5166","0.0015","17.1999","0.0016","18.1167","0.0017","90","","90","","90","","4835.1","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N4 P2 S2 -","- C20 H30 N4 P2 S2 -","- C160 H240 N32 P16 S16 -","8","1","","Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.","Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes","Organometallics","2001","20","8","1629","","10.1021/om000916e","","","0.71073","MoKα","","0.0727","0.0444","","","0.1046","0.1213","","","","","","1.028","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077287","14.814","0.0018","20.55","0.002","21.62","0.003","90","","90","","90","","6581.7","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H34 I N3 O2 Pd -","- C35 H34 I N3 O2 Pd -","- C280 H272 I8 N24 O16 Pd8 -","8","1","","Vicente, José; Abad, José-Antonio; Förtsch, Walter; Jones, Peter G.; Fischer, Axel K.","Synthesis of Ortho-Palladated Phenol Derivatives. Study of Their Reactivity with Carbon Monoxide and Isonitriles","Organometallics","2001","20","13","2704","","10.1021/om010074z","","","0.71073","MoKα","","0.0863","0.039","","","0.0601","0.0683","","","","","","0.794","","","","has coordinates,has disorder","178661","2020-10-21","18:00:00",""
"4077361","17.055","0.003","16.304","0.003","17.645","0.004","90","","90","","90","","4906.5","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(eta5:eta1-1-(1-cyclohexyl-2-diphenylphosphinoethyl)indenyl)(carbonyl)rhodium","","- C30 H30 O P Rh -","- C30 H30 O P Rh -","- C240 H240 O8 P8 Rh8 -","8","1","","Brookings, Daniel C.; Harrison, Stephen A.; Whitby, Richard J.; Crombie, Barry; Jones, Ray V. H.","Induction of Planar Chirality in Formation of (η5:η1-1-(1-Cyclohexyl-2-(diphenylphosphino)ethyl)indenyl)carbonylrhodium and (η5:η1-1-(2-Phenyl-2- (diphenylphosphino)ethyl)indenyl)carbonylrhodium","Organometallics","2001","20","22","4574","","10.1021/om010367s","","","0.71073","MoKα","","0.0972","0.0432","","","0.0764","0.0896","","","","","","0.945","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077362","10.356","0.0006","12.1443","0.0008","22.0752","0.0015","90","","90","","90","","2776.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Al4 D10 N6 -","- C20 H46 Al4 N6 -","- C80 H184 Al16 N24 -","4","0.5","","Chang, Jr-Chiuan; Hung, Chen-Hsiung; Huang, Jui-Hsien","An Unusual Hydride-Bridged Aluminum Complex with a Square-Planar Tetraaluminum Core Stabilized by 2,5-Bis((Dimethylamino)methyl)pyrrole Ligands","Organometallics","2001","20","22","4445","","10.1021/om010368k","","","0.71073","MoKα","","0.1119","0.0307","","","0.0459","0.0539","","","","","","0.639","","","","has coordinates","178662","2020-10-21","18:00:00",""
"4077432","13.037","0.003","15.717","0.003","25.071","0.005","90","","90","","90","","5137.1","1.8","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H40 Zr -","- C34 H40 Zr -","- C272 H320 Zr8 -","8","1","","Sun, Hongsui; Burlakov, Vladimir V.; Spannenberg, Anke; Baumann, Wolfgang; Arndt, Perdita; Rosenthal, Uwe","Synthesis and Structural Investigation of Stable Zirconacyclopentanes Which Bear Additional Functional Groups","Organometallics","2001","20","25","5472","","10.1021/om010680u","","","0.71073","MoKα","","0.0881","0.0601","","0.1497","0.1387","","","","0.923","1.123","1.123","","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077441","16.88","0.002","16.1793","0.0013","29.049","0.005","90","","90","","90","","7933.5","1.8","171","2","171","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H12 F40 P4 Pt2 -","- C22 H12 F40 P4 Pt2 -","- C176 H96 F320 P32 Pt16 -","8","1","","White, Shannon; Kalberer, Eric W.; Bennett, Byron L.; Roddick, Dean M.","Synthesis, Structure, and Characterization of a Bridging Ethylidene (Perfluoroalkyl)phosphine Platinum Complex","Organometallics","2001","20","26","5731","","10.1021/om0107237","","","0.71073","MoKα","","0.1412","0.0767","","0.1582","0.1374","","","","1.038","1.21","1.21","","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077442","18.8904","0.0017","18.4966","0.0017","23.594","0.002","90","","90","","90","","8243.9","1.3","158","2","158","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C45 H68 Sm2 -","- C45 H68 Sm2 -","- C360 H544 Sm16 -","8","1","","Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W.","Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene","Organometallics","2001","20","26","5648","","10.1021/om010729w","","","0.71073","MoKα","","0.0866","0.0467","","","0.1019","0.1189","","","","","","1.025","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077444","23.3208","0.0007","19.8008","0.0006","42.9886","0.0013","90","","90","","90","","19850.9","1","163","2","163","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C56.5 H76 Sm2 -","- C56.5 H76 Sm2 -","- C904 H1216 Sm32 -","16","2","","Evans, William J.; Giarikos, Dimitrios G.; Robledo, Christopher B.; Leong, Voon S.; Ziller, Joseph W.","Reactivity of the Substituted Butadienes, Isoprene and Myrcene, with Decamethylsamarocene","Organometallics","2001","20","26","5648","","10.1021/om010729w","","","0.71073","MoKα","","0.0649","0.0384","","","0.0755","0.0883","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077446","15.5363","0.001","16.0828","0.001","19.6394","0.001","90","","90","","90","","4907.2","0.5","203","2","203","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H10 B F15 Nb -","- C28 H10 B F15 Nb -","- C224 H80 B8 F120 Nb8 -","8","1","","Liu, Shengming; Liu, Fu-Chen; Renkes, Gordon; Shore, Sheldon G.","Formation of Triniobocene Cationic and Neutral Mononiobocene Species as a Function of Solvent in the Reaction of Cp2Nb{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14) with B(C6F5)3","Organometallics","2001","20","26","5717","","10.1021/om0107744","","","0.71073","MoKα","","0.0379","0.0271","","","0.0641","0.0683","","","","","","1.032","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077449","15.8974","0.0007","17.3476","0.0008","20.6778","0.0009","90","","90","","90","","5702.6","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(dtbpm)RhCl(2,2'-biphenylene)","","","- C29 H46 Cl P2 Rh -","- C29 H46 Cl P2 Rh -","- C232 H368 Cl8 P16 Rh8 -","8","1","","Iverson, Carl N.; Jones, William D.","Rhodium-Catalyzed Activation and Functionalization of the C−C Bond of Biphenylene","Organometallics","2001","20","26","5745","","10.1021/om0107946","","","0.71073","MoKα","","0.0397","0.0324","","","0.0908","0.0997","","","","","","0.617","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077467","15.1493","0.0011","19.5483","0.0016","24.609","0.002","90","","90","","90","","7287.8","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B9 O P Ru -","- C33 H46 B9 O P Ru -","- C264 H368 B72 O8 P8 Ru8 -","8","1","","Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.","Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†","Organometallics","2000","19","10","1983","","10.1021/om000018i","","","0.71073","MoKα","","0.1636","0.0651","","","0.0951","0.13","","","","","","1.022","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077486","14.79","0.009","9.315","0.007","22.093","0.015","90","","90","","90","","3044","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CuBr(coct)2]","bromo-bis(cyclooctyne)copper","","- C16 H24 Br Cu -","- C16 H24 Br Cu -","- C128 H192 Br8 Cu8 -","8","1","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","1.54178","CuKα","","0.0971","0.0483","","","0.1201","0.1416","","","","","","0.998","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077487","15.109","0.0001","9.3298","0.0001","22.6794","0.0002","90","","90","","90","","3196.98","0.05","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[CuI(coct)2]","bis(cyclooctyne)iodo-copper","","- C16 H24 Cu I -","- C16 H24 Cu I -","- C128 H192 Cu8 I8 -","8","1","","Gröger, Gunther; Behrens, Ulrich; Olbrich, Falk","Monomeric and Dimeric Cyclooctyne-Stabilized Complexes of Copper(I)1","Organometallics","2000","19","17","3354","","10.1021/om000079g","","","0.71073","MoKα","","0.0406","0.031","","","0.069","0.0723","","","","","","0.975","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077506","17.88","0.005","11.301","0.005","16.378","0.005","90","0.005","90","0.005","90","0.005","3309","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cl N3 O Pd -","- C16 H18 Cl N3 O Pd -","- C128 H144 Cl8 N24 O8 Pd8 -","8","1","","Aresta, Michele; Giannoccaro, Potenzo; Tommasi, Immacolata; Dibenedetto, Angela; Manotti Lanfredi, Anna Maria; Ugozzoli, Franco","Synthesis and Solid State and Solution Characterization of Mono- and Di-(η1-C) Carbamoyl−Palladium Complexes. New Efficient Palladium-Catalyzed Routes to Carbamoyl Chlorides: Key Intermediates to Isocyanates, Carbamic Esters, and Ureas","Organometallics","2000","19","19","3879","","10.1021/om000198w","","","0.71069","MoKα","","0.0809","0.0437","","0.1248","0.1139","","","","0.896","1.061","1.061","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077522","14.566","0.001","14.717","0.001","16.7","0.001","90","","90","","90","","3579.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F6 Mo O4 -","- C15 H15 F6 Mo O4 -","- C120 H120 F48 Mo8 O32 -","8","1","","Le Grognec, Erwan; Poli, Rinaldo; Richard, Philippe","Dialkyl(butadiene)cyclopentadienylmolybdenum(III) Complexes. Synthesis, Characterization, and Reactivity","Organometallics","2000","19","19","3842","","10.1021/om000329t","","","0.71073","MoKα","","0.0652","0.0416","","0.1296","0.1132","","","","1.033","1.054","1.054","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077537","9.0587","0.0002","9.0587","0.0002","50.2953","0.0008","90","0.001","90","0.001","90","0.001","4127.23","0.14","161.2","","161.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Fe N6 -","- C10 H8 Fe N6 -","- C160 H128 Fe16 N96 -","16","2","","Shafir, Alexandr; Power, Maurice P.; Whitener, Glenn D.; Arnold, John","Synthesis, Structure, and Properties of 1,1‘-Diamino- and 1,1‘-Diazidoferrocene","Organometallics","2000","19","19","3978","","10.1021/om0004085","","","0.7107","MoKalpha","","","0.0354","","","0.045","","","","","1.022","1.022","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077544","16.106","0.001","14.22","0.001","37.378","0.004","90","","90","","90","","8560.6","1.2","295","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H27 Cl P2 Ru -","- C21 H27 Cl P2 Ru -","- C336 H432 Cl16 P32 Ru16 -","16","2","","Freeman, Samuel T. N.; Lemke, Frederick R.; Haar, Christopher M.; Nolan, Steven P.; Petersen, Jeffrey L.","Effect of Ancillary Ligation on the Relative Bond Disruption Enthalpies of Ru−H and Ru−Cl Bonds in Cp(PR3)2RuX (PR3= PMe3, PMe2Ph, PMePh2, PPh3; X = H, Cl)","Organometallics","2000","19","23","4828","","10.1021/om000420x","","","0.71073","MoKα","","0.1011","0.0456","","0.0927","0.0746","","","","1.001","1.077","1.077","","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077563","12.0712","0.0001","17.2622","0.0001","34.6301","0.0001","90","","90","","90","","7216.06","0.08","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H30 Cl4 O2 Os P2 -","- C40 H30 Cl4 O2 Os P2 -","- C320 H240 Cl32 O16 Os8 P16 -","8","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0468","0.0434","","","0.0902","0.0914","","","","","","1.393","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077581","20.8592","0.0012","10.3433","0.0006","28.1509","0.0015","90","","90","","90","","6073.6","0.6","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H23 Fe2 O6 P -","- C35 H23 Fe2 O6 P -","- C280 H184 Fe16 O48 P8 -","8","1","","Doherty, Simon; Hogarth, Graeme; Waugh, Mark; Clegg, William; Elsegood, Mark R. J.","Reactions of Alkynes with [Fe2(CO)6(μ-PPh2){μ-η1:η2α,β-(H)CαCβCγH2}]: Formation of Diphenylvinylphosphine-Functionalized Vinyl Carbenes via Carbon−Carbon and Carbon−Phosphorus Bond Formation and Hydrogen Migration⊥","Organometallics","2000","19","22","4557","","10.1021/om0005147","","","0.71073","MoKα","","0.0693","0.0415","","","0.074","0.0833","","","","","","1.046","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077629","17.0349","0.0015","15.777","0.0013","22.1476","0.0016","90","","90","","90","","5952.4","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{Cp*Ru(CO)}{Cp*Ru}{Co(CO)2(mu-CO)(NC4H4C)(BH)2","","- C29 H36 B2 Co N O4 Ru2 -","- C29 H36 B2 Co N O4 Ru2 -","- C232 H288 B16 Co8 N8 O32 Ru16 -","8","1","","Lei, Xinjian; Shang, Maoyu; Fehlner, Thomas P.","Reaction of Phosphines and Pyridine with a Heterometal Metallaborane. Ligand Substitution on Boron vs Metal Sites, Borane Displacement, and Orthometalation of a Boron-Coordinated Pyridine","Organometallics","2000","19","25","5266","","10.1021/om000667u","","","0.71073","MoKα","","0.0563","0.0368","","","0.0847","0.0936","","","","","","1.047","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077698","17.7686","0.0003","7.8881","0.0003","30.6968","0.001","90","","90","","90","","4302.5","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F3 Si -","- C24 H25 F3 Si -","- C192 H200 F24 Si8 -","8","1","","Pietschnig, Rudolf; West, Robert; Powell, Douglas R.","Reduction of Terphenyltrifluorosilanes: C−C Insertion Products and Possible Formation of a Disilyne","Organometallics","2000","19","14","2724","","10.1021/om990924z","","","0.71073","MoKα","","0.0765","0.051","","","0.1073","0.1147","","","","","","1.08","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077733","14.4022","0.0009","14.6208","0.0009","14.8973","0.0009","90","","90","","90","","3136.9","0.3","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H21 Cl2 N O3 Ti -","- C12 H21 Cl2 N O3 Ti -","- C96 H168 Cl16 N8 O24 Ti8 -","8","1","","Doherty, Simon; Errington, R. John; Housley, Neil; Ridland, John; Clegg, William; Elsegood, Mark R. J.","N-Alkoxy-β-ketoiminate Complexes of Groups 4 and 5: Synthesis and Characterization of the Complexes [(η5-C5H4R)M{CH3C(O)CHC(NCH2CHR‘O)CH3}Cln] (M = Ti,n= 1; M = Nb,n= 2; R = H, Me; R‘ = H, Me), [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}Cl2(thf)], and [Ti{CH3C(O)CHC(NCH2CHR‘O)CH3}2]","Organometallics","1999","18","6","1018","","10.1021/om980510q","","","0.71073","MoKα","","0.0641","0.0457","","","0.0949","0.1037","","","","","","1.07","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077756","9.623","0.001","18.272","0.001","30.565","0.008","90","","90","","90","","5374.3","1.5","200","1","200","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H45 O3 P W -","- C22 H45 O3 P W -","- C176 H360 O24 P8 W8 -","8","1","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71069","MoKα","","0.0561","0.0301","","0.0798","0.07","","","","1.02","1.066","1.066","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077770","17.7921","0.0013","18.3983","0.0015","25.016","0.002","90","","90","","90","","8188.8","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H31 Cl11 D3 O2 P Pt -","- C32 H34 Cl11 O2 P Pt -","- C256 H272 Cl88 O16 P8 Pt8 -","8","1","","Vicente, José; Chicote, María-Teresa; MacBeath, Calum; Fernández-Baeza, Juan; Bautista, Delia","Nucleophilic Attack of Carbonyl-Stabilized Phosphorus Ylides on 1,5-Cyclooctadiene Complexes of Palladium and Platinum","Organometallics","1999","18","14","2677","","10.1021/om9901022","","","0.71073","MoKα","","0.0998","0.0613","","0.1509","0.1321","","","","1.036","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077806","18.239","0.006","15.971","0.005","23.062","0.007","90","","90","","90","","6718","4","294","2","294","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","1,1,1-tricarbonyl-1-[2,6-(dimethylphenyl)isocyanide]-2-[2,6-(dimethylphenyl) imino]-3-(p-chlorobenzyl)-4-[2,6-(dimethylphenyl)]-4-azamangancylobut-3-ene","","- C37 H33 Cl Mn N3 O3 -","- C37 H33 Cl Mn N3 O3 -","- C296 H264 Cl8 Mn8 N24 O24 -","8","1","","Becker, Thomas M.; Alexander, John J.; Krause Bauer, Jeanette A.; Nauss, Jeffrey L.; Wireko, Fred C.","CNR and CO Insertion Reactions of 2,6-Xylyl Isocyanide withp-Chlorobenzylpentacarbonylmanganese","Organometallics","1999","18","26","5594","","10.1021/om9903644","","","1.54178","CuKα","","0.2871","0.0882","","","0.1925","0.2975","","","","","","1.198","","","","has coordinates","178667","2020-10-21","18:00:00",""
"4077844","12.8521","0.0005","16.2817","0.0006","33.9667","0.0012","90","","90","","90","","7107.7","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","2010src0133","","","- C32 H46 B9 Co2 F7 O -","- C32 H46 B9 Co2 F7 O -","- C256 H368 B72 Co16 F56 O8 -","8","1","","Ward, Jas S.; Tricas, Hugo; Scott, Greig; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","Facile Isomerization and Unprecedented Decarbonation of Metallacarboranes with Fluorinated Aryl Substituents","Organometallics","2012","31","7","2523","","10.1021/om200691z","","","0.71073","MoKα","","0.1341","0.0899","","","0.1459","0.1601","","","","","","1.422","","","","has coordinates,has disorder","178667","2020-10-21","18:00:00",""
"4077851","11.8861","0.0005","15.2456","0.0006","21.607","0.0008","90","","90","","90","","3915.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H24 O4 Ru Si2 -","- C15 H24 O4 Ru Si2 -","- C120 H192 O32 Ru8 Si16 -","8","1","","Casey, Charles P.; Guan, Hairong","Trimethylsilyl-Substituted Hydroxycyclopentadienyl Ruthenium Hydrides as Benchmarks to Probe Ligand and Metal Effects on the Reactivity of Shvo Type Complexes.","Organometallics","2012","31","7","2631","2638","10.1021/om2007453","","","0.71073","Mo-Kα","","0.0181","0.0167","","","0.045","0.0461","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077915","19.3158","0.0004","8.817","0.0002","25.1475","0.0005","90","","90","","90","","4282.81","0.16","143","1","143","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 B7 Fe Si -","- C19 H27 B7 Fe Si -","- C152 H216 B56 Fe8 Si8 -","8","1","","Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.","Efficient and Systematic Click-Based Synthetic Routes to Amino Acid Functionalized Metallatricarbadecaboranes","Organometallics","2012","31","7","2741","","10.1021/om201044r","","","0.71073","MoKα","","0.039","0.0286","","","0.0663","0.0714","","","","","","0.993","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077996","16.7705","0.0012","17.5056","0.0015","16.2008","0.0012","90","","90","","90","","4756.2","0.6","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Br Sn -","- C30 H23 Br Sn -","- C240 H184 Br8 Sn8 -","8","1","","Lechner, Marie-Luise; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Knight, Fergus R.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Crowded Tin Acenaphthenes","Organometallics","2012","31","7","2922","","10.1021/om201253t","","","0.71075","MoKα","","","0.0359","","","","0.0783","","","","","","1.125","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4078065","10.4679","0.0003","21.7161","0.0011","26.6018","0.001","90","","90","","90","","6047.2","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H41 Ir N4 O2 -","- C31 H41 Ir N4 O2 -","- C248 H328 Ir8 N32 O16 -","8","1","","Blasberg, Florian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Mononuclear (O,O′ orN,N′) and Heterodinuclear (O,O′ andN,N′) Transition-Metal Complexes ofortho-Quinoid Bis(pyrazol-1-yl)methane Ligands","Organometallics","2012","31","8","3213","","10.1021/om3000746","","","0.71073","MoKα","","0.0471","0.0339","","","0.0805","0.0857","","","","","","1.015","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078083","18.436","0.013","9.448","0.007","21.777","0.015","90","","90","","90","","3793","5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","","Hu, Ping; Qiao, Ya-Lin; Wang, Jian-Qiang; Jin, Guo-Xin","Syntheses, Characterization, and Ethylene Polymerization of Titanium Complexes with Double-Duty Tridentate [ONN] Ligands","Organometallics","2012","31","8","3241","","10.1021/om300091e","","","0.71073","MoKα","","0.1255","0.0592","","","0.1448","0.1899","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078118","9.776","0.002","12.704","0.003","21.986","0.005","90","","90","","90","","2730.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C72 H144 B80 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0902","0.0636","","","0.1623","0.191","","","","","","1.039","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078120","13.8031","0.0007","14.163","0.0008","18.1401","0.0009","90","","90","","90","","3546.3","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H24 B10 Si -","- C11 H24 B10 Si -","- C88 H192 B80 Si8 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0543","0.0417","","","0.1168","0.1341","","","","","","1.056","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078124","12.8235","0.0004","19.04","0.0006","20.2987","0.0006","90","","90","","90","","4956.1","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H34 B20 -","- C14 H34 B20 -","- C112 H272 B160 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0699","0.0517","","","0.1408","0.1609","","","","","","1.022","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078161","13.709","0.002","14.199","0.002","31.494","0.005","90","","90","","90","","6130.4","1.6","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H29 F12 N2 P2 Rh Se -","- C24 H29 F12 N2 P2 Rh Se -","- C192 H232 F96 N16 P16 Rh8 Se8 -","8","1","","Prakash, Om; Singh, Pradhumn; Mukherjee, G.; Singh, Ajai K.","Efficient Catalysis of Transfer Hydrogenation of Ketones and Oxidation of Alcohols with Newly Designed Half-Sandwich Rhodium(III) and Iridium(III) Complexes of Half-Pincer Chalcogenated Pyridines","Organometallics","2012","31","8","3379","","10.1021/om300169p","","","0.71073","MoKα","","0.0982","0.083","","","0.1992","0.208","","","","","","1.172","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078194","15.9761","0.0019","13.5978","0.0016","18.897","0.002","90","","90","","90","","4105.2","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Cl2 Cu Hg N2 O2 -","- C19 H20 Cl2 Cu Hg N2 O2 -","- C152 H160 Cl16 Cu8 Hg8 N16 O16 -","8","1","","Biswas, Saptarshi; Saha, Rajat; Ghosh, Ashutosh","Copper(II)‒Mercury(II) Heterometallic Complexes Derived from a Salen-Type Ligand: A New Coordination Mode of the Old Schiff Base Ligand","Organometallics","2012","31","10","3844","","10.1021/om201033q","","","0.71073","MoKα","","0.0577","0.0338","","","0.0826","0.0942","","","","","","1.025","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078220","13.855","0.003","14.006","0.003","15.074","0.003","90","","90","","90","","2925.2","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl2 N2 Pt Si -","- C12 H14 Cl2 N2 Pt Si -","- C96 H112 Cl16 N16 Pt8 Si8 -","8","1","","Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.","Reactivity of a Dimethylplatinum(II) Complex with the Bis(2-pyridyl)dimethylsilane Ligand: Easy Silicon‒Carbon Bond Activation","Organometallics","2012","31","9","3539","","10.1021/om3000136","","","0.71073","MoKα","","0.0994","0.0631","","","0.1583","0.1823","","","","","","1.079","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078263","14.824","0.009","12.977","0.008","27.363","0.016","90","","90","","90","","5264","5","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H6 Au Cl10 F6 N2 P -","- C16 H6 Au Cl10 F6 N2 P -","- C128 H48 Au8 Cl80 F48 N16 P8 -","8","1","","Overton, Atiya T.; López-de-Luzuriaga, José M.; Olmos, M. Elena; Mohamed, Ahmed A.","Oxidative Rearrangement in Gold Organometallics","Organometallics","2012","31","9","3460","","10.1021/om3001422","","","0.71073","MoKα","","0.1509","0.0853","","","0.1516","0.1749","","","","","","1.046","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078351","13.982","0.004","16.842","0.009","26.031","0.007","90","","90","","90","","6130","4","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H52 Si -","- C34 H52 Si -","- C272 H416 Si8 -","8","1","","Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert","Synthesis and Reactivity of Several Stable 1-Silaallenes","Organometallics","1997","16","26","5737","","10.1021/om970246l","","","1.54178","CuKα","","0.1603","0.1076","","0.3715","0.2998","","","","1.294","1.337","1.337","","","","","has coordinates,has disorder","178672","2020-10-21","18:00:00",""
"4078368","12.067","0.002","12.359","0.002","16.76","0.002","90","","90","","90","","2499.5","0.7","298.2","","298.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Ru -","- C16 H16 Ru -","- C128 H128 Ru8 -","8","1","","Bennett, Martin A.; Neumann, Horst; Willis, Anthony C.; Ballantini, Valter; Pertici, Paolo; Mann, Brian E.","Synthesis, Structure, and Fluxional Behavior of Bis(cyclooctatetraene)ruthenium(0) and Its Derivatives","Organometallics","1997","16","13","2868","","10.1021/om970065j","","","0.7107","MoKα","","0.1408","0.0506","","0.0724","0.0641","","","","1.928","2.481","2.481","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078463","11.9389","0.0005","22.1383","0.0009","40.6437","0.0019","90","","90","","90","","10742.4","0.8","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H62 B Ir O4 P4 -","- C61 H62 B Ir O4 P4 -","- C488 H496 B8 Ir8 O32 P32 -","8","1","","Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi","Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand","Organometallics","2012","31","11","4251","","10.1021/om300216g","","","0.7107","MoKα","","0.107","0.0865","","","0.1305","0.1368","","","","","","1.286","","","","has coordinates,has disorder","178673","2020-10-21","18:00:00",""
"4078524","11.6939","0.0005","20.5307","0.0009","26.4471","0.0011","90","","90","","90","","6349.5","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H40 Fe4 N2 -","- C40 H40 Fe4 N2 -","- C320 H320 Fe32 N16 -","8","1","","Okazaki, Masaaki; Suto, Kosei; Kudo, Naotsugu; Takano, Masato; Ozawa, Fumiyuki","Synthesis and Structure of Cubane-Type Tetrairon Clusters Possessing μ3-Isonitrile Ligands. Reductive Coupling of Two Isonitriles on Redox-Responsive Tetrairon Reaction Sites","Organometallics","2012","31","11","4110","","10.1021/om3002944","","x-ray","0.71075","MoKα","","0.0313","0.025","","","0.0601","0.0629","","","","","","1.044","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078557","17.8374","0.0015","20.5763","0.0017","25.961","0.002","90","","90","","90","","9528.4","1.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 F2 Fe2 N6 -","- C46 H74 F2 Fe2 N6 -","- C368 H592 F16 Fe16 N48 -","8","1","","Zhang, Qiang; Xiang, Li; Deng, Liang","Dinuclear Iron‒Imido Complexes withN-Heterocyclic Carbene Ligation: Synthesis, Structure, and Redox Reactivity","Organometallics","2012","31","12","4537","","10.1021/om300319n","","","0.71073","MoKα","","0.0426","0.0333","","","0.0866","0.0944","","","","","","1.047","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078564","13.809","0.0008","13.5992","0.0008","19.0054","0.001","90","","90","","90","","3569","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H19 B10 Br Fe -","- C12 H19 B10 Br Fe -","- C96 H152 B80 Br8 Fe8 -","8","1","","Wang, Sunewang Rixin; Xie, Zuowei","Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes","Organometallics","2012","31","12","4544","","10.1021/om300324n","","","0.71073","MoKα","","0.0685","0.0446","","","0.1051","0.1189","","","","","","1.012","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078584","16.9882","0.0009","9.9514","0.0005","18.5623","0.001","90","","90","","90","","3138.1","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H42 N4 O4 Pd -","- C30 H42 N4 O4 Pd -","- C120 H168 N16 O16 Pd4 -","4","0.5","","Guo, Shuai; Huynh, Han Vinh","Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities","Organometallics","2012","31","12","4565","","10.1021/om3003625","","","0.71073","MoKα","","0.0784","0.0465","","","0.0949","0.1062","","","","","","1.047","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078603","18.233","0.002","21.495","0.003","24.119","0.003","90","","90","","90","","9453","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H80 Co6 N4 Ni22 O36 -","- C74 H80 Co6 N4 Ni22 O36 -","- C296 H320 Co24 N16 Ni88 O144 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)","Organometallics","2012","31","12","4593","","10.1021/om300412d","","","0.71073","MoKα","","0.068","0.042","","","0.0991","0.1171","","","","","","1.075","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078611","9.1187","0.0007","20.3918","0.0015","23.2891","0.0018","90","","90","","90","","4330.5","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C176 H232 N8 O24 S8 -","8","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0829","0.0567","","","0.129","0.1404","","","","","","1.074","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078613","14.689","0.003","9.005","0.002","32.942","0.008","90","","90","","90","","4357.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H31 N O3 S -","- C23 H31 N O3 S -","- C184 H248 N8 O24 S8 -","8","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0782","0.0493","","","0.118","0.1339","","","","","","1.047","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078616","21.472","0.01","7.707","0.003","30.064","0.014","90","","90","","90","","4975","4","203","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Mn N O11 -","- C24 H24 Mn N O11 -","- C192 H192 Mn8 N8 O88 -","8","1","","Patra, Malay; Gasser, Gilles; Wenzel, Michaela; Merz, Klaus; Bandow, Julia E.; Metzler-Nolte, Nils","Sandwich and Half-Sandwich Derivatives of Platensimycin: Synthesis and Biological Evaluation","Organometallics","2012","31","16","5760","","10.1021/om201146c","","","0.71073","MoKα","","0.0766","0.0616","","","0.1584","0.1758","","","","","","1.055","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078623","10.3898","0.0011","16.0613","0.0019","34.037","0.004","90","","90","","90","","5679.9","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 O P2 S -","- C36 H28 O P2 S -","- C288 H224 O8 P16 S8 -","8","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.054","0.0421","","","0.105","0.1137","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078653","13.2693","0.0003","18.6775","0.0004","20.5498","0.0004","90","","90","","90","","5093.01","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H30 Cl2 Si2 Ti -","- C26 H30 Cl2 Si2 Ti -","- C208 H240 Cl16 Si16 Ti8 -","8","1","","Deally, Anthony; Hackenberg, Frauke; Lally, Grainne; Müller-Bunz, Helge; Tacke, Matthias","Synthesis and Cytotoxicity Studies of Silyl-Substituted Titanocene Dichloride Derivatives","Organometallics","2012","31","16","5782","","10.1021/om300227h","","","0.71073","MoKα","","0.0415","0.0293","","","0.0637","0.0699","","","","","","1.035","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078655","19.4593","0.0003","18.6396","0.0002","25.1695","0.0004","90","","90","","90","","9129.3","0.2","200","","200","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","[Tp'(CO)~2~MoCBF~2~(OMe)]K.C~12~H~24~O~6~.C~6~H~6~","","- C37 H55 B2 F2 K Mo N6 O9 -","- C37 H55 B2 F2 K Mo N6 O9 -","- C296 H440 B16 F16 K8 Mo8 N48 O72 -","8","1","","Hill, Anthony F.; Shang, Rong","Boratocarbyne Complexes: Li[Mo{≡CB(OMe)3}(CO)2{HB(pzMe2)3}] and [K(18-crown-6)][Mo(≡CBF2OMe)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl)","Organometallics","2012","31","13","4635","","10.1021/om300238m","","","0.71073","MoKα","","0.0555","0.0261","","0.1065","0.0737","0.1065","","","","","","0.9828","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078680","9.342","0.003","22.935","0.008","30.025","0.01","90","","90","","90","","6433","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cl N2 Ni P -","- C37 H36 Cl N2 Ni P -","- C296 H288 Cl8 N16 Ni8 P8 -","8","1","","Shi, Xiao-Chao; Jin, Guo-Xin","Synthesis and Characterization of Nickel(II) and Palladium(II) Complexes based on Tridentate [N‒NP] and [N‒NS] Ligands and Their Applications in Norbornene Polymerization","Organometallics","2012","31","13","4748","","10.1021/om3003202","","","0.71073","MoKα","","0.0629","0.0388","","","0.0872","0.0957","","","","","","0.947","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078699","21.3507","0.0003","16.799","0.0004","24.2172","0.0004","90","","90","","90","","8686","0.3","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H44 Au F6 N12 P -","- C42 H44 Au F6 N12 P -","- C336 H352 Au8 F48 N96 P8 -","8","1","","Wimberg, Jan; Meyer, Steffen; Dechert, Sebastian; Meyer, Franc","Gold(I), Gold(III), and Heterometallic Gold(I)‒Silver(I) and Gold(I)‒Copper(I) Complexes of a Pyridazine-Bridged NHC/Pyrazole Hybrid Ligand and Their Initial Application in Catalysis","Organometallics","2012","31","14","5025","","10.1021/om300335w","","","0.71073","MoKα","","0.0459","0.031","","","0.0462","0.0491","","","","","","1.094","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078710","15.9358","0.0008","15.9913","0.001","26.273","0.0018","90","","90","","90","","6695.3","0.7","153","","153","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H42 N5 Ni O8 Rh S3 -","- C27 H42 N5 Ni O8 Rh S3 -","- C216 H336 N40 Ni8 O64 Rh8 S24 -","8","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.71075","MoKα","","","0.064","","","","0.1807","","","","","","1.182","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078725","17.1047","0.0013","19.2401","0.0014","29.473","0.002","90","","90","","90","","9699.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H76 N3 O2 Si Y -","- C49 H76 N3 O2 Si Y -","- C392 H608 N24 O16 Si8 Y8 -","8","1","","Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.","Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene","Organometallics","2012","31","15","5349","","10.1021/om300377h","","","0.71073","MoKα","","0.1653","0.0615","","","0.1048","0.125","","","","","","0.867","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078775","11.752","0.002","14.931","0.003","19.287","0.004","90","","90","","90","","3384.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tetracarbonyl-2,3-bis(ethoxymethylidenyl)-5-methyl-thiophene- chromium(0)","2,2,2,2-Tetracarbonyl-1,3-diethoxy-2- chroma(0)-5-methylcyclopentatrieno[b]thiophene","","- C15 H14 Cr O6 S -","- C15 H14 Cr O6 S -","- C120 H112 Cr8 O48 S8 -","8","1","","Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.","Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives","Organometallics","2012","31","15","5371","","10.1021/om300414y","","","0.71073","MoKα","","0.0473","0.0328","","","0.0776","0.084","","","","","","1.053","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078817","17.067","0.003","17.728","0.003","33.616","0.005","90","","90","","90","","10171","3","113.1","","113.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61 H59 N P4 W -","- C61 H59 N P4 W -","- C488 H472 N8 P32 W8 -","8","1","","Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi","Tungsten(II) Alkylimido Complexes from Insertion of Nitriles into Tungsten Hydride: Alkylideneamido Intermediate Stage and Nitrene Group Transfer to Isocyanide","Organometallics","2012","31","14","4933","","10.1021/om3004338","","","0.7107","MoKα","","","0.0402","","","","0.0929","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078853","16.426","0.004","9.501","0.003","32.743","0.009","90","","90","","90","","5110","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H30 Br2 N4 Pd -","- C24 H30 Br2 N4 Pd -","- C192 H240 Br16 N32 Pd8 -","8","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Pyrazolin-5-ylidene Palladium(II) Complexes: Synthesis, Characterization, and Application in the Direct Arylation of Pentafluorobenzene","Organometallics","2012","31","14","5121","","10.1021/om300464b","","","0.71073","MoKα","","0.0706","0.0489","","","0.1238","0.135","","","","","","1.04","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078925","13.2528","0.0017","12.3497","0.0014","31.634","0.004","90","","90","","90","","5177.5","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H39 Br O Si4 -","- C19 H39 Br O Si4 -","- C152 H312 Br8 O8 Si32 -","8","1","","Cho, Hyeon Mo; Bok, Kyongjin; Park, Seo Hyeon; Lim, Young Mook; Lee, Myong Euy; Choi, Moon-Gun; Lee, Kang Mun","A New Synthetic Route for Silacyclopropanes: Reactions of a Bromosilylenoid with Olefins","Organometallics","2012","31","15","5227","","10.1021/om3005349","","","0.71073","MoKα","","0.1038","0.049","","","0.1299","0.1863","","","","","","1.001","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4078951","14.2599","0.0001","21.481","0.0002","31.5683","0.0003","90","","90","","90","","9669.9","0.15","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(pR*,S~S~*)-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfinyl-κS)-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium","","- C26.45 H22.5 Cl2.1 O Rh S -","- C26.45 H22.5 Cl2.1 O Rh S -","- C423.2 H360 Cl33.6 O16 Rh16 S16 -","16","2","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.0391","0.0328","","","0.095","0.1002","","","","","","1.485","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4078957","18.4883","0.001","18.5351","0.0011","19.2487","0.0011","90","","90","","90","","6596.2","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H31 B F15 P -","- C33 H31 B F15 P -","- C264 H248 B8 F120 P8 -","8","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0766","0.0516","","","0.1332","0.1501","","","","","","1.039","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078982","10.383","0.004","15.316","0.005","25.274","0.01","90","","90","","90","","4019","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H31 N5 O Ti -","- C16 H31 N5 O Ti -","- C128 H248 N40 O8 Ti8 -","8","1","","Chen, Zhou; Wu, Jian; Chen, Yanmei; Li, Lei; Xia, Yuanzhi; Li, Yahong; Liu, Wei; Lei, Tao; Yang, Lijuan; Gao, Dandan; Li, Wu","Rapid Access to Substituted Piperazines via Ti(NMe2)4-Mediated C‒C Bond-Making Reactions","Organometallics","2012","31","17","6005","","10.1021/om300022u","","","0.71073","MoKα","","0.1555","0.0548","","","0.0906","0.1182","","","","","","0.974","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078988","10.7012","0.0005","19.0875","0.0008","28.4803","0.0012","90","","90","","90","","5817.4","0.4","11","2","11","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H48 N3 O0 Sc Si2 -","- C24 H48 N3 Sc Si2 -","- C192 H384 N24 Sc8 Si16 -","8","1","","Wang, Lingfang; Liu, Dongtao; Cui, Dongmei","NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene","Organometallics","2012","31","17","6014","","10.1021/om300049h","","","0.71073","MoKα","","0.059","0.0487","","","0.1345","0.1433","","","","","","1.037","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079004","17.7299","0.0008","26.2321","0.0011","30.9424","0.0014","90","","90","","90","","14391.1","1.1","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H101.1 B2 F8 N6 Ni O4 P4 -","- C68 H101.1 B2 F8 N6 Ni O4 P4 -","- C544 H808.8 B16 F64 N48 Ni8 O32 P32 -","8","1","","Lense, Sheri; Ho, Ming-Hsun; Chen, Shentan; Jain, Avijita; Raugei, Simone; Linehan, John C.; Roberts, John A. S.; Appel, Aaron M.; Shaw, Wendy","Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base","Organometallics","2012","31","19","6719","6731","10.1021/om300409y","","","0.71073","MoKα","","0.1574","0.0579","","","0.0893","0.1149","","","","","","1.005","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4079029","15.8985","0.0006","16.4376","0.0007","27.0644","0.0011","90","","90","","90","","7072.8","0.5","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H60 Al2 Nd O4 P Si -","- C27 H60 Al2 Nd O4 P Si -","- C216 H480 Al16 Nd8 O32 P8 Si8 -","8","1","","Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner","Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15","Organometallics","2012","31","18","6526","","10.1021/om300168s","","","0.71073","MoKα","","0.0456","0.0327","","","0.0797","0.086","","","","","","1.075","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079039","11.2215","0.0002","16.6052","0.0004","23.0812","0.0005","90","","90","","90","","4300.84","0.16","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H32 Cl4 P4 S4 Sn2 -","- C40 H32 Cl4 P4 S4 Sn2 -","- C160 H128 Cl16 P16 S16 Sn8 -","4","0.5","","Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds","Organometallics","2012","31","18","6538","","10.1021/om300345u","","","0.71073","MoKα","","0.0293","0.0221","","","0.0478","0.052","","","","","","1.033","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079054","11.5075","0.0004","20.0888","0.0006","35.4127","0.0012","90","","90","","90","","8186.4","0.5","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H64 N2 O Si2 Th -","- C36 H64 N2 O Si2 Th -","- C288 H512 N16 O8 Si16 Th8 -","8","1","","Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L.; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes","Organometallics","2012","31","19","6732","","10.1021/om300410h","","","0.71073","MoKα","","0.0899","0.045","","0.05","0.0424","0.0441","","","","","","1.5847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079101","17.96778","0.00017","17.6095","0.00018","30.1255","0.0004","90","","90","","90","","9531.82","0.18","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H58 Cu4 Li2 O8 -","- C50 H58 Cu4 Li2 O8 -","- C400 H464 Cu32 Li16 O64 -","8","1","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","0.71073","MoKα","","0.1018","0.0563","","","0.1168","0.141","","","","","","1.131","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079120","14.1603","0.0005","10.7021","0.0003","34.5829","0.0013","90","","90","","90","","5240.9","0.3","115","","115","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H29 Fe3 N -","- C35 H29 Fe3 N -","- C280 H232 Fe24 N8 -","8","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Schaarschmidt, Dieter; Hahn, Torsten; Liebing, Simon; Kortus, Jens; Lang, Heinrich","Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations","Organometallics","2012","31","19","6761","","10.1021/om300511v","","","0.71073","MoKα","","0.082","0.0489","","","0.1174","0.1249","","","","","","0.949","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079136","12.09","0.0011","11.6199","0.0011","24.842","0.003","90","","90","","90","","3489.9","0.6","150","0.2","150","0.2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H42 F3 Fe N4 O3 S Si2 -","- C25 H42 F3 Fe N4 O3 S Si2 -","- C100 H168 F12 Fe4 N16 O12 S4 Si8 -","4","0.5","","Cao, Zhi; Forrest, William P.; Gao, Yang; Fanwick, Phillip E.; Ren, Tong","trans-[Fe(cyclam)(C2R)2]+: A New Family of Iron(III) Bis-Alkynyl Compounds","Organometallics","2012","31","17","6199","","10.1021/om300515r","","","1.54184","CU-Kα","","0.134","0.095","","","0.252","0.292","","","","","","1.039","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4079190","11.3575","0.0016","18.976","0.002","35.022","0.003","90","","90","","90","","7547.9","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H32 F9 Ir N4 O3 S -","- C35 H32 F9 Ir N4 O3 S -","- C280 H256 F72 Ir8 N32 O24 S8 -","8","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.0182","0.0159","","","0.0367","0.0381","","","","","","1.224","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079194","13.3214","0.0012","19.264","0.005","30.362","0.006","90","","90","","90","","7792","3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H32 F9 Ir N4 O5 S -","- C35 H32 F9 Ir N4 O5 S -","- C280 H256 F72 Ir8 N32 O40 S8 -","8","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Blue Phosphorescence of Trifluoromethyl- and Trifluoromethoxy-Substituted Cationic Iridium(III) Isocyanide Complexes","Organometallics","2012","31","17","6288","","10.1021/om300557d","","","0.71073","MoKα","","0.067","0.0443","","","0.088","0.0979","","","","","","1.336","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079195","13.8499","0.0004","13.3155","0.0003","27.0349","0.0008","90","","90","","90","","4985.7","0.2","115","2","115","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H30 Fe N6 P2 Se2 -","- C20 H30 Fe N6 P2 Se2 -","- C160 H240 Fe8 N48 P16 Se16 -","8","1","","Marchenko, Anatolyi; Hurieva, Anastasiya; Koidan, Heorgii; Rampazzi, Vincent; Cattey, Hélène; Pirio, Nadine; Kostyuk, Aleksandr N.; Hierso, Jean-Cyrille","First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures","Organometallics","2012","31","17","5986","","10.1021/om300563n","","","0.71073","MoKα","","0.0291","0.0243","","","0.0524","0.0549","","","","","","1.069","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079217","13.737","0.002","16.871","0.003","28.096","0.005","90","","90","","90","","6511.4","1.9","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H47 Al N2 O2 S2 -","- C33 H47 Al N2 O2 S2 -","- C264 H376 Al8 N16 O16 S16 -","8","1","","Yang, Zhi; Hao, Pengfei; Liu, Zhihong; Ma, Xiaoli; Roesky, Herbert W.; Sun, Kening; Li, Jiarong","Reactivity Studies of LAlH2(L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3) with 2-Aminobenzenethiol, 2-Aminophenol, and 1,4-Dithiane-2,5-diol","Organometallics","2012","31","17","6500","","10.1021/om300577j","","","0.71073","MoKα","","0.07","0.064","","","0.1388","0.1422","","","","","","1.142","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079236","8.3839","0.0003","9.2671","0.0004","37.1174","0.0015","90","","90","","90","","2883.8","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C112 H176 Cl8 N8 O8 -","8","1","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0536","0.0461","","","0.1072","0.1117","","","","","","1.121","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079286","18.2275","0.0005","17.1965","0.0005","20.7428","0.0007","90","","90","","90","","6501.8","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N4 Sn2 -","- C32 H46 N4 Sn2 -","- C256 H368 N32 Sn16 -","8","1","","Chia, Siew-Peng; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Distannylene toward Potassium Graphite: Synthesis of a Stannylidenide Anion","Organometallics","2012","31","17","6415","","10.1021/om300646d","","","0.71073","MoKα","","0.071","0.0368","","","0.0949","0.1353","","","","","","1.057","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079337","15.21","0.0002","18.029","0.0003","23.847","0.0005","90","","90","","90","","6539.4","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H33 B I N9 Ru -","- C21 H33 B I N9 Ru -","- C168 H264 B8 I8 N72 Ru8 -","8","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0982","0.059","","","0.1543","0.1747","","","","","","1.04","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079410","10.0709","0.0007","15.5194","0.0011","22.5797","0.0016","90","","90","","90","","3529.1","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Cl N2 O4 Pd -","- C17 H19 Cl N2 O4 Pd -","- C136 H152 Cl8 N16 O32 Pd8 -","8","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands","Organometallics","2012","31","21","7434","","10.1021/om3007213","","","0.71073","MoKα","","0.0312","0.0295","","","0.0606","0.0614","","","","","","1.15","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079416","18.108","0.003","19.588","0.003","37.948","0.005","90","","90","","90","","13460","4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H61 Cl6 N3 Pd -","- C75 H61 Cl6 N3 Pd -","- C600 H488 Cl48 N24 Pd8 -","8","1","","Chartoire, Anthony; Frogneux, Xavier; Boreux, Arnaud; Slawin, Alexandra M. Z.; Nolan, Steven P.","[Pd(IPr*)(3-Cl-pyridinyl)Cl2]: A Novel and Efficient PEPPSI Precatalyst","Organometallics","2012","31","19","6947","","10.1021/om300725f","","","0.71073","MoKα","","0.1312","0.0951","","","0.2578","0.2944","","","","","","1.016","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079467","19.976","0.004","13.016","0.003","29.35","0.006","90","","90","","90","","7631","3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Al N2 O4 -","- C39 H63 Al N2 O4 -","- C312 H504 Al8 N16 O32 -","8","1","","Ikpo, Nduka; Barbon, Stephanie M.; Drover, Marcus W.; Dawe, Louise N.; Kerton, Francesca M.","Aluminum Methyl and Chloro Complexes Bearing Monoanionic Aminephenolate Ligands: Synthesis, Characterization, and Use in Polymerizations","Organometallics","2012","31","23","8145","","10.1021/om300757u","","","0.71075","MoKα","","0.2374","0.1224","","","0.2307","0.2881","","","","","","1.038","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079500","11.085","0.004","18.454","0.007","43.113","0.017","90","","90","","90","","8819","6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H58 B N11 O P Y -","- C40 H58 B N11 O P Y -","- C320 H464 B8 N88 O8 P8 Y8 -","8","1","","Yi, Weiyin; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Complex toward Organic Nitriles","Organometallics","2012","31","20","7213","","10.1021/om3007773","","","0.71073","MoKα","","0.2106","0.1337","","","0.3208","0.3519","","","","","","0.995","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079528","16.5802","0.00004","18.09136","0.00004","19.48429","0.00004","90","","90","","90","","5844.48","0.02","115","","115","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H54 N P3 Ru -","- C25 H54 N P3 Ru -","- C200 H432 N8 P24 Ru8 -","8","1","","Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.","Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands","Organometallics","2012","31","19","7024","","10.1021/om300794h","","x-ray","1.5418","CuKα","","0.0174","0.0172","","","0.0434","0.0436","","","","","","1.053","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079591","12.5208","0.0002","18.2828","0.0003","24.9107","0.0005","90","","90","","90","","5702.44","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24.5 H13.5 Cl4.5 N7 O3 Re -","- C24.5 H13.5 Cl4.5 N7 O3 Re -","- C196 H108 Cl36 N56 O24 Re8 -","8","1","","Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes","Organometallics","2012","31","21","7566","","10.1021/om300870a","","","0.71073","MoKα","","0.0628","0.0437","","","0.0966","0.1026","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079596","15.9559","0.0006","11.4221","0.0004","21.7288","0.0008","90","","90","","90","","3960.1","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H30 N3 P -","- C19 H30 N3 P -","- C152 H240 N24 P8 -","8","1","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Zarudnitskii, Evgeniy V.; Hurieva, Anastasiya N.; Kirilchuk, Andrey A.; Yurchenko, Aleksandr A.; Biffis, Andrea; Kostyuk, Aleksandr N.","Stable N-Phosphorylated 1,2,4-Triazol-5-ylidenes: Novel Ligands for Metal Complexes","Organometallics","2012","31","23","8257","","10.1021/om300872g","","","0.71073","MoKα","","0.1157","0.0632","","","0.1354","0.1579","","","","","","1.008","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079663","8.7539","0.0007","10.3947","0.0008","17.2466","0.0014","90","","90","","90","","1569.3","0.2","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","0.5","","Kozhukh, Julia; Fedoce Lopes, Juliana; Dos Santos, Hélio F.; Lippard, Stephen J.","Reactions of Organozinc Thiolates with Nitrosonium Ion:C-Nitroso Formation by Possible Transnitrosation","Organometallics","2012","31","23","8063","","10.1021/om300922m","","","0.71073","MoKα","","0.0435","0.0387","","","0.1089","0.1124","","","","","","1.052","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079697","11.551","0.007","24.178","0.016","28.816","0.018","90","","90","","90","","8048","9","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C44 H58 Cl2 Zr -","- C44 H58 Cl2 Zr -","- C352 H464 Cl16 Zr8 -","8","1","","Bader, Manuela; Marquet, Nicolas; Kirillov, Evgeny; Roisnel, Thierry; Razavi, Abbas; Lhost, Olivier; Carpentier, Jean-François","Old and NewC1-Symmetric Group 4 Metallocenes {(R1R2C)-(R2′R3′R6′R7′-Flu)(3-R3-5-R4-C5H2)}ZrCl2: From Highly Isotactic Polypropylenes to Vinyl End-Capped Isotactic-Enriched Oligomers","Organometallics","2012","31","23","8375","","10.1021/om300957k","","x-ray","0.71073","MoKα","","0.1458","0.103","","","0.176","0.1937","","","","","","1.219","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079731","16.484","0.0017","18.1198","0.0018","19.0049","0.0019","90","","90","","90","","5676.5","1","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H35 Cl3 Mo N P2 -","- C27 H35 Cl3 Mo N P2 -","- C216 H280 Cl24 Mo8 N8 P16 -","8","1","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0301","","","","0.051","","","","","","1.038","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079732","16.1351","0.0004","18.2992","0.0004","20.8235","0.0005","90","","90","","90","","6148.3","0.3","183","","183","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H47 Cl3 Mo N P2 -","- C27 H47 Cl3 Mo N P2 -","- C216 H376 Cl24 Mo8 N8 P16 -","8","1","","Kinoshita, Eriko; Arashiba, Kazuya; Kuriyama, Shogo; Miyake, Yoshihiro; Shimazaki, Ryuji; Nakanishi, Haruyuki; Nishibayashi, Yoshiaki","Synthesis and Catalytic Activity of Molybdenum‒Dinitrogen Complexes Bearing Unsymmetric PNP-Type Pincer Ligands","Organometallics","2012","31","23","8437","","10.1021/om301046t","","","0.71075","MoKα","","","0.0266","","","","0.0509","","","","","","1.007","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079758","18.223","0.0011","17.1315","0.0011","28.6054","0.0018","90","","90","","90","","8930.2","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H32 Ge2 O10 Os3 -","- C46 H32 Ge2 O10 Os3 -","- C368 H256 Ge16 O80 Os24 -","8","1","","Adams, Richard D.; Kan, Yuwei; Zhang, Qiang","Osmium‒Germanium and Osmium‒Germanium‒Gold Carbonyl Cluster Complexes: Syntheses, Structures, Bonding, and Reactivity","Organometallics","2012","31","24","8639","","10.1021/om301074w","","","0.71073","MoKα","","0.0594","0.0373","","","0.0503","0.0557","","","","","","1.078","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079830","12.3956","0.0012","13.0995","0.0013","19.6103","0.0018","90","","90","","90","","3184.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Cl N2 Si -","- C15 H21 Cl N2 Si -","- C120 H168 Cl8 N16 Si8 -","8","1","","Li, Yiqun; de Kock, Carmen; Smith, Peter J.; Guzgay, Hajira; Hendricks, Denver T.; Naran, Krupa; Mizrahi, Valerie; Warner, Digby F.; Chibale, Kelly; Smith, Gregory S.","Synthesis, Characterization, and Pharmacological Evaluation of Silicon-Containing Aminoquinoline Organometallic Complexes As Antiplasmodial, Antitumor, and Antimycobacterial Agents","Organometallics","2013","32","1","141","","10.1021/om300945c","","","0.71073","MoKα","","0.0838","0.05","","","0.1103","0.1243","","","","","","1.028","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079836","13.909","0.012","14.831","0.012","21.003","0.018","90","","90","","90","","4333","6","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Co F3 O3 P3 S -","- C12 H33 Co F3 O3 P3 S -","- C96 H264 Co8 F24 O24 P24 S8 -","8","1","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","Intermolecular Methyl Group Exchange and Reversible P‒Me Bond Cleavage at Cobalt(III) Dimethyl Halide Species","Organometallics","2013","32","3","798","","10.1021/om3009537","","","0.71073","MoKα","","0.0686","0.0473","","","0.1182","0.1349","","","","","","1.017","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079854","12.5205","0.0002","20.7663","0.0003","22.532","0.0003","90","","90","","90","","5858.42","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H90 N6 O8 Ti2 -","- C58 H90 N6 O8 Ti2 -","- C232 H360 N24 O32 Ti8 -","4","0.5","","Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan","Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2013","32","1","172","","10.1021/om300962k","","","0.71073","MoKα","","0.0632","0.0468","","","0.1147","0.1249","","","","","","1.034","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079914","14.6798","0.0016","16.706","0.002","20.104","0.003","90","","90","","90","","4930.3","1.1","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H56 Au2 F6 N6 O6 P2 S2 -","- C38 H56 Au2 F6 N6 O6 P2 S2 -","- C152 H224 Au8 F24 N24 O24 P8 S8 -","4","0.5","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Hurieva, Anastasiya N.; Gutov, Oleksii V.; Kostyuk, Aleksandr N.; Tubaro, Cristina; Lollo, Samira; Lanza, Arianna; Nestola, Fabrizio; Biffis, Andrea","N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of Coinage Metals","Organometallics","2013","32","2","718","","10.1021/om301051t","","","0.71073","MoKα","","0.1736","0.0445","","","0.0729","0.1308","","","","","","0.998","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079919","15.399","0.014","16.37","0.015","20.187","0.018","90","","90","","90","","5089","8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Al N3 O -","- C29 H36 Al N3 O -","- C232 H288 Al8 N24 O8 -","8","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.1935","0.0947","","","0.1935","0.2431","","","","","","0.951","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079938","16.81","0.003","16.578","0.003","22.578","0.005","90","","90","","90","","6292","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Mo N2 O3 P2 -","- C36 H30 Mo N2 O3 P2 -","- C288 H240 Mo8 N16 O24 P16 -","8","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0531","0.0312","","","0.0607","0.0653","","","","","","0.96","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079939","16.766","0.003","16.528","0.003","22.564","0.005","90","","90","","90","","6253","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 O3 P2 W -","- C36 H30 N2 O3 P2 W -","- C288 H240 N16 O24 P16 W8 -","8","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0493","0.0289","","","0.0603","0.0658","","","","","","0.944","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080041","17.116","0.0016","12.9707","0.0012","28.893","0.003","90","","90","","90","","6414.4","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H23 B F4 N4 O6 Ru2 -","- C34 H23 B F4 N4 O6 Ru2 -","- C272 H184 B8 F32 N32 O48 Ru16 -","8","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.0822","0.0485","","","0.1006","0.1199","","","","","","1.056","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080042","14.986","0.003","16.923","0.004","25.396","0.005","90","","90","","90","","6441","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H23 B F4 N4 O6 Ru2 -","- C34 H23 B F4 N4 O6 Ru2 -","- C272 H184 B8 F32 N32 O48 Ru16 -","8","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.1628","0.0658","","","0.144","0.1898","","","","","","1.01","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080046","11.1255","0.0007","22.7387","0.0016","28.4541","0.0019","90","","90","","90","","7198.3","0.8","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H41 Cl N2 O P2 Pt -","- C43 H41 Cl N2 O P2 Pt -","- C344 H328 Cl8 N16 O8 P16 Pt8 -","8","1","","Pan, Baofei; Pierre, Sadrach; Bezpalko, Mark W.; Napoline, J. Wesley; Foxman, Bruce M.; Thomas, Christine M.","Isolation of N-Heterocyclic Alkyl Intermediates en Route to Transition Metal N-Heterocyclic Carbene Complexes: Insight into a C‒H Activation Mechanism","Organometallics","2013","32","2","704","","10.1021/om301230f","","","0.71073","MoKα","","0.0503","0.0272","","0.0653","0.0557","0.0653","","","","","","0.9786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080069","16.5825","0.0006","19.588","0.0008","21.8479","0.0009","90","","90","","90","","7096.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 P2 Rh Si -","- C35 H61 P2 Rh Si -","- C280 H488 P16 Rh8 Si8 -","8","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71073","MoKα","","0.0454","0.0306","","","0.0694","0.078","","","","","","1.13","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080070","16.541","0.005","19.613","0.005","21.955","0.005","90","0","90","0","90","0","7123","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 Ge P2 Rh -","- C35 H61 Ge P2 Rh -","- C280 H488 Ge8 P16 Rh8 -","8","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71069","MoKα","","0.0309","0.0235","","","0.0571","0.061","","","","","","1.088","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080148","9.8877","0.0004","17.1927","0.0007","22.3641","0.001","90","","90","","90","","3801.8","0.3","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Au Cl P -","- C22 H17 Au Cl P -","- C176 H136 Au8 Cl8 P8 -","8","1","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Gold Phosphole Complexes as Efficient Catalysts for Alkyne Activation","Organometallics","2013","32","6","1571","1574","10.1021/om301244m","","x-ray","0.71073","MoKα","","0.0141","0.0126","","","0.0329","0.034","","","","","","1.167","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080157","16.846","0.002","13.7766","0.0018","22.911","0.003","90","","90","","90","","5317.2","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 Br2 N2 -","- C32 H26 Br2 N2 -","- C256 H208 Br16 N16 -","8","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.1064","0.0455","","","0.1","0.1241","","","","","","1.002","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080158","17.7877","0.0011","16.6656","0.0011","18.986","0.0012","90","","90","","90","","5628.3","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H28 Br2 N2 Ni -","- C32 H28 Br2 N2 Ni -","- C256 H224 Br16 N16 Ni8 -","8","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0589","0.0363","","","0.0843","0.0978","","","","","","1.018","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080231","15.3405","0.0007","14.8579","0.0007","17.7921","0.0008","90","","90","","90","","4055.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Al2 O4 -","- C48 H50 Al2 O4 -","- C192 H200 Al8 O16 -","4","0.5","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0708","0.0439","","","0.1056","0.1244","","","","","","1.01","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080248","21.7767","0.0019","14.309","0.0012","22.33","0.0019","90","","90","","90","","6958.1","1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H33 B F15 K N4 -","- C30 H33 B F15 K N4 -","- C240 H264 B8 F120 K8 N32 -","8","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0544","0.0332","","","0.0785","0.0932","","","","","","1.046","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080305","19.5632","0.0003","19.1357","0.0003","23.8446","0.0004","90","","90","","90","","8926.4","0.2","123","1","123","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Sm(DippForm)Br2(THF)3]","","","- C44 H67 Br2 N2 O3 Sm -","- C44 H67 Br2 N2 O3 Sm -","- C352 H536 Br16 N16 O24 Sm8 -","8","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0724","0.0379","","","0.0822","0.0936","","","","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080307","14.5587","0.0007","18.1919","0.0008","34.3519","0.0013","90","","90","","90","","9098.1","0.7","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Cd F4 O9 Zr2 -","- C33 H64 Cd F4 O9 Zr2 -","- C264 H512 Cd8 F32 O72 Zr16 -","8","1","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0975","0.0357","","","0.075","0.0865","","","","","","0.735","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080313","20.2917","0.0004","20.1932","0.0004","21.6979","0.0006","90","","90","","90","","8890.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H112 Cd2 F12 O24 Zr4 -","- C56 H112 Cd2 F12 O24 Zr4 -","- C224 H448 Cd8 F48 O96 Zr16 -","4","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.1154","0.0528","","","0.1369","0.1722","","","","","","0.971","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080384","9.1793","0.0006","18.3533","0.0012","31.392","0.002","90","","90","","90","","5288.6","0.6","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C33 H29 N O Si -","- C33 H29 N O Si -","- C264 H232 N8 O8 Si8 -","8","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0556","0.0406","","","0.0962","0.1041","","","","","","1.017","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080441","13.639","0.003","16.21","0.003","19.728","0.004","90","","90","","90","","4361.6","1.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Zr -","- C28 H28 Zr -","- C224 H224 Zr8 -","8","1","","Danopoulos, Andreas A.; Monakhov, Kirill Yu.; Robert, Vincent; Braunstein, Pierre; Pattacini, Roberto; Conde-Guadaño, Susana; Hanton, Martin; Tooze, Robert P.","Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal‒Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes","Organometallics","2013","32","6","1842","","10.1021/om3012568","","","0.71073","MoKα","","0.0535","0.0407","","","0.0724","0.0784","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080481","18.8812","0.0004","13.8509","0.0003","19.7703","0.0004","90","","90","","90","","5170.36","0.19","100","2","100.02","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 Si -","- C32 H24 N2 Si -","- C256 H192 N16 Si8 -","8","1","","Carroll, James B.; Braddock-Wilking, Janet","Synthesis of 2,5-Substituted Siloles and Optical Study of Interactions with Mercury(II), Copper(II), and Nickel(II) Cations","Organometallics","2013","32","6","1905","","10.1021/om400022f","","","0.71073","MoKα","","0.0548","0.0413","","","0.1081","0.121","","","","","","1.034","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080517","16.7271","0.0018","23.182","0.003","33.512","0.003","90","","90","","90","","12995","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Cl N4 O3 Ru -","- C31 H42 Cl N4 O3 Ru -","- C496 H672 Cl16 N64 O48 Ru16 -","16","2","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0604","0.0444","","","0.1089","0.1197","","","","","","1.046","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080557","12.184","0.0008","14.951","0.0016","27.754","0.003","90","","90","","90","","5055.8","0.8","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl4 Ge2 N2 O -","- C20 H26 Cl4 Ge2 N2 O -","- C160 H208 Cl32 Ge16 N16 O8 -","8","1","","Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Stabilization of Three-Coordinated Germanium(II) and Tin(II) Cations by a Neutral Chelating Ligand","Organometallics","2013","32","6","1995","","10.1021/om400082t","","","0.71073","MoKα","","0.0938","0.0593","","","0.1056","0.1275","","","","","","1.121","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080580","10.51965","0.00015","19.8913","0.0004","47.7557","0.0007","90","","90","","90","","9992.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H64 N5 S Y -","- C56 H64 N5 S Y -","- C448 H512 N40 S8 Y8 -","8","1","","Karpov, Alexander A.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrei S.; Luconi, Lapo; Giambastiani, Giuliano; Trifonov, Alexander A.","Yttrium Complexes Featuring Different Y‒C Bonds. Comparative Reactivity Studies: Toward Terminal Imido Complexes","Organometallics","2013","32","8","2379","","10.1021/om400099z","","","0.71073","MoKα","","0.0904","0.0748","","","0.123","0.127","","","","","","1.249","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080669","18.4035","0.0008","19.7103","0.0009","29.7739","0.0014","90","","90","","90","","10800.1","0.8","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C117 H88 Cl2 F12 Ir2 N6 O2 P6 -","- C117 H88 Cl2 F12 Ir2 N6 O2 P6 -","- C468 H352 Cl8 F48 Ir8 N24 O8 P24 -","4","0.5","","Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy","Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators","Organometallics","2013","32","10","2908","","10.1021/om400028n","","","0.71073","MoKα","","0.0676","0.044","","","0.1205","0.1486","","","","","","1.149","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080680","24.6781","0.0002","20.9612","0.0001","27.588","0.0003","90","","90","","90","","14270.8","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3 in manuscript","","","- C35 H39 Au F6 N2 O -","- C35 H39 Au F6 N2 O -","- C560 H624 Au16 F96 N32 O16 -","16","2","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0929","0.0363","","","0.0562","0.0707","","","","","","1.035","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080712","8.3847","0.0004","22.048","0.001","29.1904","0.0013","90","","90","","90","","5396.3","0.4","83","2","83","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 La Si3 -","- C24 H39 La Si3 -","- C192 H312 La8 Si24 -","8","1","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0261","0.022","","","0.0543","0.0568","","","","","","1.104","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080715","8.1546","0.0004","22.3062","0.0011","28.6176","0.0014","90","","90","","90","","5205.5","0.4","83","2","83","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Lu Si3 -","- C24 H39 Lu Si3 -","- C192 H312 Lu8 Si24 -","8","1","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0218","0.0181","","","0.0397","0.0412","","","","","","1.108","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080729","16.9395","0.0011","13.5596","0.0009","28.602","0.002","90","","90","","90","","6569.7","0.8","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 O2 P3 Pd Ru -","- C27 H38 Cl F6 O2 P3 Pd Ru -","- C216 H304 Cl8 F48 O16 P24 Pd8 Ru8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1424","0.086","","","0.2031","0.2271","","","","","","1.153","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080731","17.0269","0.0014","13.2282","0.0011","28.684","0.002","90","","90","","90","","6460.6","0.9","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe Ni O2 P3 -","- C27 H38 Cl F6 Fe Ni O2 P3 -","- C216 H304 Cl8 F48 Fe8 Ni8 O16 P24 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1499","0.0801","","","0.1823","0.2134","","","","","","1.008","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080732","17.074","0.002","13.2009","0.0016","29.002","0.004","90","","90","","90","","6536.8","1.4","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe O2 P3 Pd -","- C27 H38 Cl F6 Fe O2 P3 Pd -","- C216 H304 Cl8 F48 Fe8 O16 P24 Pd8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1955","0.0718","","","0.1502","0.1899","","","","","","0.898","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080733","17.0443","0.0012","13.1286","0.0009","29.024","0.002","90","","90","","90","","6494.6","0.8","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe O2 P3 Pt -","- C27 H38 Cl F6 Fe O2 P3 Pt -","- C216 H304 Cl8 F48 Fe8 O16 P24 Pt8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1093","0.0588","","","0.1365","0.154","","","","","","0.943","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080764","20.1797","0.0011","17.4954","0.001","20.3989","0.0011","90","","90","","90","","7201.9","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H42 Fe N2 O2 -","- C45 H42 Fe N2 O2 -","- C360 H336 Fe8 N16 O16 -","8","1","","Pranckevicius, Conor; Stephan, Douglas W.","Three-Coordinate, Cyclic Bent Allene Iron Complexes","Organometallics","2013","32","9","2693","","10.1021/om400166t","","","0.71073","MoKα","","0.0677","0.0384","","","0.0778","0.0881","","","","","","1.007","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080791","14.862","0.0004","16.5798","0.0005","21.861","0.0006","90","","90","","90","","5386.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 Hf I3 N2 -","- C22 H33 Hf I3 N2 -","- C176 H264 Hf8 I24 N16 -","8","1","","Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy","Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts","Organometallics","2013","32","10","2963","","10.1021/om400189w","","","0.71073","MoKα","","0.0202","0.0163","","","0.0326","0.0336","","","","","","1.039","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080820","16.6098","0.0007","14.2088","0.0007","19.5728","0.001","90","","90","","90","","4619.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","difluorido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane","","- C20 H38 F2 O8 Sn -","- C20 H38 F2 O8 Sn -","- C160 H304 F16 O64 Sn8 -","8","1","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0611","0.0292","","","0.0499","0.0521","","","","","","0.856","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080852","17.4696","0.0005","15.529","0.0004","23.394","0.0006","90","","90","","90","","6346.5","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","1664 [Mo(PNP-Ph)(CO)3H]BF4 (7a)","[Mo(PNP-Ph)(CO)3H]BF4 (7a)","","- C32 H26 B F4 Mo N3 O3 P2 -","- C32 H26 B F4 Mo N3 O3 P2 -","- C256 H208 B8 F32 Mo8 N24 O24 P16 -","8","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0302","0.0252","","","0.0595","0.0636","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080854","17.515","0.0004","15.5022","0.0003","23.3387","0.0005","90","","90","","90","","6336.9","0.2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","1665 [W(PNP-Ph)(CO)3H]BF4 (8a)","[W(PNP-Ph)(CO)3H]BF4 (8a)","","- C32 H26 B F4 N3 O3 P2 W -","- C32 H26 B F4 N3 O3 P2 W -","- C256 H208 B8 F32 N24 O24 P16 W8 -","8","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.026","0.02","","","0.0385","0.0406","","","","","","1.123","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080867","13.312","0.0004","11.045","0.0006","38.614","0.0016","90","","90","","90","","5677.5","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl F4 N P2 Pd -","- C25 H36 Cl F4 N P2 Pd -","- C200 H288 Cl8 F32 N8 P16 Pd8 -","8","1","","Orbach, Meital; Zenkina, Olena V.; Diskin-Posner, Yael; Iron, Mark A.; van der Boom, Milko E.","A Phosphine-Accelerated ArF‒Chloride Bond Activation Process by Palladium","Organometallics","2013","32","10","3074","","10.1021/om400295p","","","0.71073","MoKα","","0.1084","0.0498","","","0.1093","0.1265","","","","","","0.989","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080885","19.8316","0.0002","22.3574","0.0002","47.3876","0.0007","90","","90","","90","","21010.9","0.4","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Ti (N2O)(NNPh2){N(NPh2)C(NAr)S}(py)","","- C52 H70 N6 O S Si2 Ti -","- C52 H70 N6 O S Si2 Ti -","- C832 H1120 N96 O16 S16 Si32 Ti16 -","16","2","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","1.54184","CuKα","","0.1049","0.0799","","0.0736","0.0666","0.0648","","","","","","0.9054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080917","11.36","0.004","19.563","0.007","22.094","0.008","90","","90","","90","","4910","3","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl F6 N3 P Ru S -","- C22 H21 Cl F6 N3 P Ru S -","- C176 H168 Cl8 F48 N24 P8 Ru8 S8 -","8","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.0412","0.0342","","","0.0872","0.0907","","","","","","1.068","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080918","11.52","0.03","19.65","0.05","22.37","0.05","90","","90","","90","","5064","2","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl F6 N3 P Ru Se -","- C22 H21 Cl F6 N3 P Ru Se -","- C176 H168 Cl8 F48 N24 P8 Ru8 Se8 -","8","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.0492","0.0341","","","0.081","0.0849","","","","","","0.979","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080944","16.9939","0.0003","19.829","0.0004","20.2081","0.0005","90","","90","","90","","6809.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H30 F8 Ni P2 -","- C40 H30 F8 Ni P2 -","- C320 H240 F64 Ni8 P16 -","8","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0569","0.0419","","","0.0955","0.1044","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080945","19.442","0.005","15.58","0.004","24.21","0.006","90","","90","","90","","7333","3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H66 F4 Ni P2 -","- C38 H66 F4 Ni P2 -","- C304 H528 F32 Ni8 P16 -","8","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.245","0.0923","","","0.1763","0.2468","","","","","","0.934","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080998","13.5702","0.0011","13.175","0.001","27.7649","0.0018","90","","90","","90","","4964","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H29 B Br Cl F4 Ir N2 -","- C21 H29 B Br Cl F4 Ir N2 -","- C168 H232 B8 Br8 Cl8 F32 Ir8 N16 -","8","1","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.0711","0.0404","","","0.1067","0.1362","","","","","","1.125","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4081060","13.8842","0.0006","15.7786","0.0007","26.5432","0.0011","90","","90","","90","","5814.9","0.4","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H33 Br N P Pt -","- C34 H33 Br N P Pt -","- C272 H264 Br8 N8 P8 Pt8 -","8","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.0596","0.0292","","","0.0478","0.0556","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081078","10.9917","0.0012","17.0689","0.0018","25.153","0.003","90","","90","","90","","4719.1","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 P2 Pd2 -","- C20 H40 P2 Pd2 -","- C160 H320 P16 Pd16 -","8","1","","Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.","Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4223","","10.1021/om400415c","","","0.71075","MoKα","","0.0792","0.0528","","","0.0637","0.0683","","","","","","1.157","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081084","13.0039","0.0004","14.2484","0.0004","18.4949","0.0005","90","","90","","90","","3426.82","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N4 Na2 O8 Sn2 -","- C24 H58 N4 Na2 O8 Sn2 -","- C96 H232 N16 Na8 O32 Sn8 -","4","0.5","","Gock, Michael; Wiedemann, Bianca; Dietz, Christina; Bai, Chenyu; Lutter, Michael; Abeyawarathan, Vinusuya; Jurkschat, Klaus","Simplicity Meets Beauty. Trapping Molecular Dimethyltin Oxide in the Novel Organotinoxo Cluster [MeN(CH2CH2O)2SnMe2.Me2SnO]3","Organometallics","2013","32","15","4262","","10.1021/om400432k","","","0.71073","MoKα","","0.0387","0.0345","","","0.0687","0.07","","","","","","1.205","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081124","21.1681","0.0009","18.5763","0.001","25.2229","0.0013","90","","90","","90","","9918.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61.8 H56.2 O P3 Ru -","- C61.8 H56.2 O P3 Ru -","- C494.4 H449.6 O8 P24 Ru8 -","8","1","","Samouei, Hamidreza; Grushin, Vladimir V.","New, Highly Efficient, Simple, Safe, and Scalable Synthesis of [(Ph3P)3Ru(CO)(H)2]","Organometallics","2013","32","15","4440","","10.1021/om400461w","","","0.71073","MoKα","","0.0822","0.0449","","","0.106","0.128","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081195","17.479","0.005","15.373","0.005","19.062","0.005","90","","90","","90","","5122","3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","{CY5[NP]DMP(PPh2)}(K)(THF)","","","- C58 H66 K2 N2 O2 P2 -","- C58 H66 K2 N2 O2 P2 -","- C232 H264 K8 N8 O8 P8 -","4","0.5","","Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.","Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design","Organometallics","2013","32","15","4431","","10.1021/om400688v","","","0.71069","MoKα","","0.049","0.041","","","0.1005","0.1072","","","","","","1.015","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081275","19.6738","0.0013","18.0264","0.0012","21.1293","0.0014","90","","90","","90","","7493.5","0.9","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H56 I N2 U -","- C39 H56 I N2 U -","- C312 H448 I8 N16 U8 -","8","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.0304","0.0246","","","0.0596","0.0625","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081346","13.542","0.003","22.443","0.005","35.743","0.007","90","","90","","90","","10863","4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H82 N4 O2 Sr -","- C56 H82 N4 O2 Sr -","- C448 H656 N32 O16 Sr8 -","8","1","","Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T.","Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity","Organometallics","2013","32","16","4636","","10.1021/om400622d","","","0.71073","MoKα","","0.1024","0.0618","","","0.1008","0.1114","","","","","","1.092","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081367","17.8564","0.0004","16.0031","0.0004","19.9027","0.0004","90","","90","","90","","5687.4","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H32 F3 N3 O6 Pd S -","- C25 H32 F3 N3 O6 Pd S -","- C200 H256 F24 N24 O48 Pd8 S8 -","8","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0437","0.029","","","0.0586","0.0656","","","","","","1.068","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081442","18.5126","0.0002","17.52419","0.00019","20.2002","0.0002","90","","90","","90","","6553.31","0.12","110","1","110","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28.77 H52.43 N Ni O1.94 P2 S -","- C28.768 H52.42 N Ni O1.942 P2 S -","- C230.144 H419.36 N8 Ni8 O15.536 P16 S8 -","8","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0704","0.0648","","","0.1487","0.1521","","","","","","1.106","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081462","12.2149","0.0006","18.3881","0.0008","18.7489","0.0009","90","","90","","90","","4211.2","0.3","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Fe2 O6 S Si -","- C19 H16 Fe2 O6 S Si -","- C152 H128 Fe16 O48 S8 Si8 -","8","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.0401","0.0353","","","0.0817","0.0849","","","","","","1.072","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081529","10.5867","0.0006","10.9127","0.0007","16.5647","0.0009","90","","90","","90","","1913.71","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Fe N6 -","- C20 H28 Fe N6 -","- C80 H112 Fe4 N24 -","4","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0313","0.0274","","","0.0793","0.0811","","","","","","1.064","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081572","17.55","0.005","18.129","0.005","18.314","0.005","90","0.005","90","0.005","90","0.005","5827","3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C256 H336 N16 Yb8 -","8","1","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.","Influence of the Torsion Angle in 3,3′-Dimethyl-2,2′-bipyridine on the Intermediate Valence of Yb in (C5Me5)2Yb(3,3′-Me2-bipy)","Organometallics","2013","32","19","5305","","10.1021/om400528d","","","0.71069","MoKα","","0.0353","0.0247","","","","0.0574","","","","","","1.078","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081578","16.2256","0.0002","17.4125","0.0002","25.6091","0.0002","90","","90","","90","","7235.29","0.13","123.01","0.1","123.01","0.1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C37 H52 F6 Fe P Ru -","- C37 H52 F6 Fe P Ru -","- C296 H416 F48 Fe8 P8 Ru8 -","8","1","","Malberg, Jennifer; Lupton, Elizabeth; Schnöckelborg, Eva-Maria; de Bruin, Bas; Sutter, Jörg; Meyer, Karsten; Hartl, František; Wolf, Robert","Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x(x= 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5)","Organometallics","2013","32","20","6040","","10.1021/om4005862","","x-ray","1.54184","CuKα","","0.0463","0.037","","","0.0827","0.0884","","","","","","1.062","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081599","17.736","0.0004","19.175","0.0005","23.708","0.0004","90","","90","","90","","8062.8","0.3","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C63 H80 Cl2 F12 I2 N4 P4 Sb4 Si4 -","- C63 H78 Cl2 F12 I2 N4 P4 Sb4 Si4 -","- C252 H312 Cl8 F48 I8 N16 P16 Sb16 Si16 -","4","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.0963","0.0679","","","0.1111","0.1235","","","","","","1.173","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081650","20.652","0.0007","21.0587","0.0007","21.6212","0.0007","90","","90","","90","","9403.2","0.5","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H58 Cl F5 N4 O3 Ru S -","- C48 H58 Cl F5 N4 O3 Ru S -","- C384 H464 Cl8 F40 N32 O24 Ru8 S8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","A New Route to Ruthenium Thiolate Alkylidene Complexes","Organometallics","2013","32","19","5253","","10.1021/om400740p","","","0.71073","MoKα","","0.1092","0.0491","","","0.0923","0.1116","","","","","","1.003","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081651","10.9876","0.0009","17.2317","0.0013","27.31","0.002","90","","90","","90","","5170.7","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466)","","- C11 H14 O2 S Si -","- C11 H14 O2 S Si -","- C176 H224 O32 S16 Si16 -","16","2","","Baldridge, Kim K.; Bunker, Kevin D.; Vélez, Carmen L.; Holland, Ryan L.; Rheingold, Arnold L.; Moore, Curtis E.; O’Connor, Joseph M.","Structural Characterization of (C5H5)Co(PPh3)(η2-alkyne) and (C5H5)Co(η2-alkyne) Complexes of Highly Polarized Alkynes","Organometallics","2013","32","19","5473","","10.1021/om400749g","","x-ray","0.71073","MoKα","K-L~3~","0.0376","0.0329","","","0.0867","0.0902","","","","","","1.034","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081712","11.472","0.004","37.285","0.014","13.446","0.005","90","","90","","90","","5751","4","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H45 B N2 O3 P2 Ru -","- C26 H45 B N2 O3 P2 Ru -","- C208 H360 B8 N16 O24 P16 Ru8 -","8","1","","Miyada, Takuma; Yamashita, Makoto","Oxygenation of a Ruthenium Complex Bearing a PBP-Pincer Ligand Inducing the Formation of a Boronato Ligand with a Weak Ru‒O Bond","Organometallics","2013","32","19","5281","","10.1021/om400915x","","","0.71075","MoKα","","0.0797","0.0587","","","0.0883","0.0957","","","","","","1.177","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081731","20.774","0.0005","15.1577","0.0003","22.9277","0.0005","90","","90","","90","","7219.6","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1","","","- C32 H40 Ge2 N2 O5 W -","- C32 H40 Ge2 N2 O5 W -","- C256 H320 Ge16 N16 O40 W8 -","8","1","","Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric","Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene","Organometallics","2013","32","22","6658","","10.1021/om400361n","","","1.54178","CuKα","","0.0426","0.0387","","","0.1118","0.1184","","","","","","1.079","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081738","10.1922","0.0011","14.6406","0.0015","25.205","0.003","90","","90","","90","","3761.1","0.7","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Cl3 N6 Ta -","- C14 H24 Cl3 N6 Ta -","- C112 H192 Cl24 N48 Ta8 -","8","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0544","0.0283","","","0.0554","0.0626","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081802","8.5464","0.0008","18.25","0.0016","34.363","0.003","90","","90","","90","","5359.7","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 B O P -","- C33 H36 B O P -","- C264 H288 B8 O8 P8 -","8","1","","Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene","Organometallics","2013","32","22","6792","","10.1021/om400553j","","","0.71073","MoKα","","0.1371","0.0667","","","0.1202","0.1432","","","","","","0.93","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081807","19.628","0.01","21.691","0.013","21.83","0.012","90","","90","","90","","9294","9","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H71 B K N2 O7 -","- C49 H71 B K N2 O7 -","- C392 H568 B8 K8 N16 O56 -","8","1","","Kushida, Tomokatsu; Yamaguchi, Shigehiro","A Radical Anion of Structurally Constrained Triphenylborane","Organometallics","2013","32","22","6654","","10.1021/om400560u","","","0.7107","MoKa","","0.0754","0.0666","","","0.1629","0.1733","","","","","","1.096","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081859","12.8487","0.0004","13.8907","0.0004","34.2663","0.0009","90","","90","","90","","6115.8","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H44 B F4 N2 P -","- C31 H44 B F4 N2 P -","- C248 H352 B8 F32 N16 P8 -","8","1","","Wheaton, Craig A.; Bow, John-Paul J.; Stradiotto, Mark","New Phosphine-Functionalized NHC Ligands: Discovery of an Effective Catalyst for the Room-Temperature Amination of Aryl Chlorides with Primary and Secondary Amines","Organometallics","2013","32","21","6148","","10.1021/om400684n","","","1.54178","CuKα","","0.0678","0.051","","","0.132","0.148","","","","","","1.013","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081909","15.3704","0.0005","15.6192","0.0005","25.9025","0.0011","90","","90","","90","","6218.5","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F4 Ir N5 O4 -","- C34 H24 F4 Ir N5 O4 -","- C272 H192 F32 Ir8 N40 O32 -","8","1","","Oh, Hankook; Park, Ki-Min; Hwang, Hyonseok; Oh, Sihyun; Lee, Ji Hye; Lu, Jia-Sheng; Wang, Suning; Kang, Youngjin","Effective Alkoxylation of Phosphorescent Heteroleptic Iridium(III) Compounds Bearing Fluorinated Bipyridine Ligands","Organometallics","2013","32","21","6427","","10.1021/om400770h","","","0.71073","MoKα","","0.0779","0.0455","","","0.0887","0.1001","","","","","","1.023","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081920","17.4616","0.0009","9.7707","0.0005","35.9822","0.0019","90","","90","","90","","6139","0.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 Br2 N5 Pd -","- C30 H35 Br2 N5 Pd -","- C240 H280 Br16 N40 Pd8 -","8","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0799","0.0578","","","0.095","0.1001","","","","","","1.26","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081940","12.8261","0.0009","17.2673","0.0012","23.4196","0.0016","90","","90","","90","","5186.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl3 Ge2 Si3 -","- C15 H33 Cl3 Ge2 Si3 -","- C120 H264 Cl24 Ge16 Si24 -","8","1","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0338","0.0225","","","0.0533","0.0559","","","","","","1.036","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081947","7.8601","0.0001","18.9706","0.0002","26.9778","0.0003","90","","90","","90","","4022.68","0.08","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3-PCP)Os(CO)2Cl","","","- C14 H7 Cl F12 O2 Os P2 -","- C14 H7 Cl F12 O2 Os P2 -","- C112 H56 Cl8 F96 O16 Os8 P16 -","8","1","","Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H)","Organometallics","2013","32","21","6468","","10.1021/om400823s","","","0.71073","MoKα","","0.053","0.0334","","","0.0634","0.0684","","","","","","1.058","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081957","24.6355","0.001","20.2804","0.0009","39.6424","0.0016","90","","90","","90","","19806","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52.5 H78.5 Hf N5 -","- C52.5 H78.5 Hf N5 -","- C840 H1256 Hf16 N80 -","16","2","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.04","0.0274","","","0.0557","0.0599","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081995","19.682","0.002","14.4566","0.0017","20.905","0.003","90","","90","","90","","5948.2","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl F6 Ir O P2 -","- C29 H38 Cl F6 Ir O P2 -","- C232 H304 Cl8 F48 Ir8 O8 P16 -","8","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.","Cyclometalated Iridium Complexes from Intramolecular C‒H Activation of [IrCp*Cl{═C(OMe)CH═C(CH3)R}L] (R = CH3, Ph; L = PPh2Me, PMe3)","Organometallics","2013","32","23","7241","","10.1021/om4008778","","","0.71073","MoKα","","0.1442","0.0537","","","0.104","0.1515","","","","","","1.027","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082016","10.3993","0.001","18.3187","0.0017","28.328","0.003","90","","90","","90","","5396.5","0.9","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H44 B Lu N2 Si2 -","- C21 H44 B Lu N2 Si2 -","- C168 H352 B8 Lu8 N16 Si16 -","8","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0311","0.0275","","","0.1125","0.1181","","","","","","1.027","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082017","10.4773","0.0016","18.341","0.003","28.397","0.004","90","","90","","90","","5456.9","1.4","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H44 B N2 Si2 Y -","- C21 H44 B N2 Si2 Y -","- C168 H352 B8 N16 Si16 Y8 -","8","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0772","0.0397","","","0.0795","0.0912","","","","","","1.035","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082052","20.9457","0.0003","19.1797","0.0004","23.0383","0.0005","90","","90","","90","","9255.2","0.3","200.1","0.3","200.1","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H58 Cl2 N4 O Rh2 -","- C50 H58 Cl2 N4 O Rh2 -","- C400 H464 Cl16 N32 O8 Rh16 -","8","1","","Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo","Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes","Organometallics","2013","32","21","6613","","10.1021/om400950d","","","1.5418","CuKα","","0.0749","0.0592","","","0.1862","0.2151","","","","","","1.224","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082054","16.313","0.005","11.584","0.005","36.423","0.005","90","","90","","90","","6883","4","123","0.1","123","0.1","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C33 H51 B Mo2 O2 P2 -","- C33 H51 B Mo2 O2 P2 -","- C264 H408 B8 Mo16 O16 P16 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Novel Dimerization of Maleic Anhydride at a Mo2 Complex: Phase-Driven Keto/Enol Tautomerism in a Phosphinidenium‒Ylide Complex","Organometallics","2013","32","21","6178","","10.1021/om4009586","","x-ray","1.5418","CuKα","","0.0456","0.0375","","","0.1031","0.1072","","","","","","1.101","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4082056","16.459","0.0005","14.0598","0.0004","19.597","0.0006","90","","90","","90","","4534.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H37 B11 Ir P -","- C15 H37 B11 Ir P -","- C120 H296 B88 Ir8 P8 -","8","1","","El-Hellani, Ahmad; Kefalidis, Christos E.; Tham, Fook S.; Maron, Laurent; Lavallo, Vincent","Structure and Bonding of a Zwitterionic Iridium Complex Supported by a Phosphine with the Parent Carba-closo-dodecaborate CB11H11‒Ligand Substituent","Organometallics","2013","32","23","6887","","10.1021/om401001p","","","0.71073","MoKα","","0.0269","0.0233","","","0.0694","0.0718","","","","","","1.086","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082067","7.21921","0.00017","11.7082","0.0003","29.1083","0.0007","90","","90","","90","","2460.35","0.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N Se -","- C12 H12 Br N Se -","- C96 H96 Br8 N8 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","1.54184","CuKα","","0.0485","0.0378","","","0.1056","0.1108","","","","","","1.051","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082069","9.1305","0.0005","13.9195","0.0008","19.2955","0.0011","90","","90","","90","","2452.3","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 Se -","- C13 H12 N2 Se -","- C104 H96 N16 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","0.71073","MoKα","","0.1808","0.0301","","","0.046","0.0574","","","","","","0.663","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082135","13.401","0.002","14.041","0.003","16.643","0.003","90","","90","","90","","3131.6","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H22 B12 Si -","- C6 H22 B12 Si -","- C48 H176 B96 Si8 -","8","1","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.1396","0.0667","","","0.1606","0.2033","","","","","","1.002","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082206","13.142","0.003","10.518","0.002","17.372","0.003","90","","90","","90","","2401.3","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 F8 N2 Ni -","- C8 H6 F8 N2 Ni -","- C64 H48 F64 N16 Ni8 -","8","1","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0741","0.0623","","","0.1248","0.1307","","","","","","1.204","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082239","20.1012","0.0005","11.2224","0.0002","22.9667","0.0005","90","","90","","90","","5180.91","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H48 Cl2 Cu2 P2 Pd2 -","- C54 H48 Cl2 Cu2 P2 Pd2 -","- C216 H192 Cl8 Cu8 P8 Pd8 -","4","0.5","","Meana, Isabel; Espinet, Pablo; Albéniz, Ana C.","Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling","Organometallics","2014","33","1","1","","10.1021/om4005498","","","0.71073","MoKα","","0.0625","0.0359","","","0.0869","0.0931","","","","","","0.964","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082325","11.2997","0.0004","14.9484","0.0005","31.7286","0.0011","90","","90","","90","","5359.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 N2 Zn -","- C28 H48 N2 Zn -","- C224 H384 N16 Zn8 -","8","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","0.71073","MoKα","","0.0827","0.0432","","","0.0897","0.0985","","","","","","0.982","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082355","16.021","0.002","11.6893","0.0015","17.185","0.003","90","","90","","90","","3218.3","0.8","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H20 Cl3 Fe N2 -","- C11 H20 Cl3 Fe N2 -","- C88 H160 Cl24 Fe8 N16 -","8","1","","Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes","Organometallics","2014","33","4","921","","10.1021/om401039z","","","0.7107","MoKα","","","0.0409","","","","0.0724","","","","","","1.004","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082376","23.85","0.0018","16.201","0.0011","12.761","0.009","90","","90","","90","","4931","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 Cl Co N3 O7 -","- C24 H27 Cl Co N3 O7 -","- C192 H216 Cl8 Co8 N24 O56 -","8","1","","Siega, Patrizia; Dreos, Renata; Brancatelli, Giovanna; Zangrando, Ennio; Tavagnacco, Claudio; Vrdoljak, Višnja; Hrenar, Tomica","A Novel Series of CoIII(salen-type) Complexes Containing a Seven-Membered Metallacycle: Synthesis, Structural Characterization and Factors Affecting the Metallacyclization Rate","Organometallics","2014","33","4","909","","10.1021/om401038v","","","1","synchrotron","","0.0558","0.0557","","","0.1391","0.1394","","","","","","1.2","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082418","20.2423","0.0012","16.2452","0.001","21.0095","0.0014","90","","90","","90","","6908.8","0.7","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C34 H33 Cl2 Fe Mn O4 P2 S2 -","- C34 H33 Cl2 Fe Mn O4 P2 S2 -","- C272 H264 Cl16 Fe8 Mn8 O32 P16 S16 -","8","1","","Carroll, Maria E.; Chen, Jinzhu; Gray, Danielle E.; Lansing, James C.; Rauchfuss, Thomas B.; Schilter, David; Volkers, Phillip I.; Wilson, Scott R.","Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates.","Organometallics","2014","33","4","858","867","10.1021/om400752a","","","0.71073","MoKα","","0.0408","0.0283","","","0.068","0.0762","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082439","19.0946","0.0006","11.084","0.0003","31.8307","0.0012","90","","90","","90","","6736.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 N3 P2 Pd -","- C42 H35 N3 P2 Pd -","- C336 H280 N24 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0487","0.0354","","","0.0845","0.0924","","","","","","1.058","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082441","16.678","0.011","19.729","0.018","21.472","0.012","90","","90","","90","","7065","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 I2 O P2 Pd -","- C39 H32 I2 O P2 Pd -","- C312 H256 I16 O8 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.128","0.0602","","","0.1135","0.1346","","","","","","1.056","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082442","15.9178","0.0004","20.2527","0.0005","23.6017","0.0005","90","","90","","90","","7608.7","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Cl3 N6 O P2 Pd -","- C40 H33 Cl3 N6 O P2 Pd -","- C320 H264 Cl24 N48 O8 P16 Pd8 -","8","1","","Miloserdov, Fedor M.; McMullin, Claire L.; Belmonte, Marta Mart\?ínez; Benet-Buchholz, Jordi; Bakhmutov, Vladimir I.; Macgregor, Stuart A.; Grushin, Vladimir V.","The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process","Organometallics","2014","33","3","736","","10.1021/om401126m","","","0.71073","MoKα","","0.0584","0.0402","","","0.0942","0.1055","","","","","","1.026","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082447","16.5227","0.0011","19.163","0.0013","24.0933","0.0017","90","","90","","90","","7628.5","0.9","187","2","187","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H51 Mg N2 O P -","- C44 H51 Mg N2 O P -","- C352 H408 Mg8 N16 O8 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1597","0.1131","","","0.2941","0.3385","","","","","","1.036","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082448","18.0013","0.0014","19.5713","0.0016","23.3879","0.0019","90","","90","","90","","8239.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H55 Mg N2 O P -","- C46 H55 Mg N2 O P -","- C368 H440 Mg8 N16 O8 P8 -","8","1","","Xie, Hongyan; Mou, Zehuai; Liu, Bo; Li, Ping; Rong, Weifeng; Li, Shihui; Cui, Dongmei","Phosphinimino-amino Magnesium Complexes: Synthesis and Catalysis of Heteroselective ROP ofrac-Lactide","Organometallics","2014","33","3","722","","10.1021/om401056s","","","0.71073","MoKα","","0.1454","0.0697","","","0.1494","0.1839","","","","","","1.004","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082514","27.304","0.003","11.2118","0.0011","31.402","0.003","90","","90","","90","","9613","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H53 Br Cl3 N3 O3 Pd -","- C47 H53 Br Cl3 N3 O3 Pd -","- C376 H424 Br8 Cl24 N24 O24 Pd8 -","8","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0556","0.0421","","","0.0868","0.0911","","","","","","1.128","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082520","12.8765","0.0013","14.3057","0.0014","24.212","0.002","90","","90","","90","","4460","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H24 F3 N O5 S -","- C21 H24 F3 N O5 S -","- C168 H192 F24 N8 O40 S8 -","8","1","","Oliva-Madrid, María-José; Garc\?ía-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C bond of Ortho-Palladated Phenethylamines toward Unsaturated Molecules. Synthesis of Dihydro-3-Benzazocinones, N7-amino Acids, N7-amino Esters, and 3-Benzazepines","Organometallics","2014","33","1","19","","10.1021/om4010059","","","0.71073","MoKα","","0.0979","0.0802","","","0.1665","0.1748","","","","","","1.236","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082547","9.964","0.0002","16.355","0.0004","22.0192","0.0005","90","","90","","90","","3588.28","0.14","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N P S -","- C22 H18 N P S -","- C176 H144 N8 P8 S8 -","8","1","","Kupper, Claudia; Molitor, Sebastian; Gessner, Viktoria H.","Structure, Bonding, and Reactivity of Room-Temperature-Stable Lithium Chloride Carbenoids","Organometallics","2014","33","1","347","","10.1021/om4010862","","","0.71073","MoKα","","0.0432","0.0308","","","0.0724","0.0787","","","","","","1.042","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082554","15.7183","0.0015","12.804","0.0012","18.5749","0.0018","90","","90","","90","","3738.3","0.6","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","sjfbk22","","","- C18 H26 N2 O4 Si -","- C18 H26 N2 O4 Si -","- C144 H208 N16 O32 Si8 -","8","1","","Kraft, Bradley M.; Brennessel, William W.","Chelation and Stereodynamic Equilibria in Neutral Hypercoordinate Organosilicon Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2014","33","1","158","","10.1021/om400907s","","","0.71073","MoKα","","0.0776","0.0427","","","0.0921","0.1073","","","","","","1.013","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082569","18.2652","0.0006","18.2872","0.0006","22.2926","0.0008","90","","90","","90","","7446.2","0.4","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C62 H92 Cu2 F6 N8 O8 S2 Si4 -","- C62 H92 Cu2 F6 N8 O8 S2 Si4 -","- C248 H368 Cu8 F24 N32 O32 S8 Si16 -","4","0.5","","Tan, Gengwen; Blom, Burgert; Gallego, Daniel; Driess, Matthias","Facile Access to Mono- and Dinuclear Heteroleptic N-Heterocyclic Silylene Copper Complexes","Organometallics","2014","33","1","363","","10.1021/om4011033","","","0.71073","MoKα","","0.0917","0.0708","","","0.141","0.1508","","","","","","1.097","","","","has coordinates,has disorder","178714","2020-10-21","18:00:00",""
"4082690","20.0859","0.0015","24.0588","0.0016","28.841","0.002","90","","90","","90","","13937.2","1.7","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C78 H59 N2 Ni -","- C78 H59 N2 Ni -","- C624 H472 N16 Ni8 -","8","1","","Hoshimoto, Yoichi; Hayashi, Yukari; Suzuki, Haruka; Ohashi, Masato; Ogoshi, Sensuke","One-Pot, Single-Step, and Gram-Scale Synthesis of Mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] Complexes: Useful Precursors of the Ni0‒NHC Unit","Organometallics","2014","33","5","1276","","10.1021/om500088p","","","0.71075","MoKα","","0.2306","0.0967","","","0.1962","0.2495","","","","","","0.91","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082749","8.7374","0.0017","11.492","0.002","24.169","0.005","90","","90","","90","","2426.8","0.8","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H13 K O3 Ru -","- C11 H13 K O3 Ru -","- C88 H104 K8 O24 Ru8 -","8","1","","Kalz, Kai F.; Kindermann, Nicole; Xiang, Sheng-Qi; Kronz, Andreas; Lange, Adam; Meyer, Franc","Revisiting the Synthesis and Elucidating the Structure of Potassium Cyclopentadienyldicarbonylruthenate, K[CpRu(CO)2]","Organometallics","2014","33","6","1475","","10.1021/om500107j","","","0.71073","MoKα","","0.03","0.0249","","","0.0637","0.0659","","","","","","1.073","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082822","23.5771","0.0012","7.5787","0.0005","28.8018","0.0014","90","","90","","90","","5146.4","0.5","104.95","0.1","104.95","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H22 Cl2 Fe2 N2 O2 S -","- C29 H22 Cl2 Fe2 N2 O2 S -","- C232 H176 Cl16 Fe16 N16 O16 S8 -","8","1","","Speck, J. Matthäus; Korb, Marcus; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich","Substituent Influence on Charge Transfer Interactions in α,α′-Diferrocenylthiophenes","Organometallics","2014","33","18","4813","","10.1021/om500062h","","","1.54184","CuKα","","0.0949","0.0623","","","0.153","0.1789","","","","","","1.018","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082843","8.1846","0.0007","20.3198","0.0016","39.301","0.003","90","","90","","90","","6536.1","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H53 N4 Zr -","- C37 H53 N4 Zr -","- C296 H424 N32 Zr8 -","8","1","","Àrias, Òscar; Petrov, Alex R.; Bannenberg, Thomas; Altenburger, Kai; Arndt, Perdita; Jones, Peter G.; Rosenthal, Uwe; Tamm, Matthias","Titanocene and Zirconocene Complexes with Diaminoacetylenes: Formation of Unusual Metallacycles and Fulvene Complexes","Organometallics","2014","33","7","1774","","10.1021/om500121p","","","1.54184","CuKα","","0.0916","0.0647","","","0.1153","0.1245","","","","","","1.133","","","","has coordinates","178717","2020-10-21","18:00:00",""
"4082902","13.036","0.005","19.934","0.005","22.598","0.005","90","","90","","90","","5872","3","107.2","0.2","107.2","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H34 Fe2 Si -","- C38 H34 Fe2 Si -","- C304 H272 Fe16 Si8 -","8","1","","Lehrich, Steve W.; Hildebrandt, Alexander; Rüffer, Tobias; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis, Characterization, Electrochemistry, and Computational Studies of Ferrocenyl-Substituted Siloles","Organometallics","2014","33","18","4836","","10.1021/om500072q","","","0.71073","MoKα","","0.0316","0.0258","","","0.0635","0.0656","","","","","","1.03","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082922","8.321","0.004","20.941","0.009","30.868","0.013","90","","90","","90","","5379","4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Br2 N4 O3 Pd S -","- C22 H30 Br2 N4 O3 Pd S -","- C176 H240 Br16 N32 O24 Pd8 S8 -","8","1","","Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions","Organometallics","2014","33","7","1794","","10.1021/om500140g","","","0.71073","MoKα","","0.0669","0.042","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082961","23.772","0.0008","21.7328","0.0007","25.8611","0.0007","90","","90","","90","","13360.7","0.7","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C59 H85 Co N3 O P3 S Zr -","- C59 H85 Co N3 O P3 S Zr -","- C472 H680 Co8 N24 O8 P24 S8 Zr8 -","8","1","","Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex","Organometallics","2014","33","8","2071","","10.1021/om500217a","","","0.71073","MoKα","","0.0649","0.0346","","0.084","0.073","0.084","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083015","14.413","0.003","16.861","0.003","29.284","0.006","90","","90","","90","","7117","2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H60 Al4 N4 -","- C25 H60 Al4 N4 -","- C200 H480 Al32 N32 -","8","1","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Bis-Amidinate‒Alane Complexes","Organometallics","2014","33","8","2080","","10.1021/om5002217","","","0.71073","MoKα","","0.0838","0.0471","","","0.1027","0.1216","","","","","","1.075","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083043","12.9654","0.0007","17.2909","0.001","22.5692","0.0013","90","","90","","90","","5059.6","0.5","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H31 O6 P Ru S2 -","- C25 H31 O6 P Ru S2 -","- C200 H248 O48 P8 Ru8 S16 -","8","1","","Friedberger, Tobias; Ziller, Joseph W.; Guan, Zhibin","Ruthenium(IV) Complexes for Ethylene Insertion Polymerization","Organometallics","2014","33","8","1913","","10.1021/om5001343","","","0.71073","MoKα","","0.0253","0.022","","","0.0555","0.0573","","","","","","1.052","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083058","18.6145","0.0003","18.8636","0.0003","27.1879","0.0019","90","","90","","90","","9546.7","0.7","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H30 B4 F24 Mn N3 O3 -","- C41 H30 B4 F24 Mn N3 O3 -","- C328 H240 B32 F192 Mn8 N24 O24 -","8","1","","Carter, Tyler J.; Wang, Justin Y.; Szymczak, Nathaniel K.","Manganese-Mediated Hydride Delivery to a Borazine by Stepwise Reduction and Protonation","Organometallics","2014","33","7","1540","","10.1021/om500157m","","","1.54178","CuKα","","0.073","0.067","","","0.1763","0.181","","","","","","1.192","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083079","12.1857","0.0005","7.6441","0.0002","19.584","0.0008","90","","90","","90","","1824.22","0.12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(IMeEtOH)AuCl]","","","- C6 H10 Au Cl N2 O -","- C6 H10 Au Cl N2 O -","- C48 H80 Au8 Cl8 N16 O8 -","8","1","","Jacques, Béatrice; Hueber, Damien; Hameury, Sophie; Braunstein, Pierre; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Alcohol-Functionalized NHC Gold(I/III) Complexes","Organometallics","2014","33","9","2326","","10.1021/om500240h","","x-ray","0.71073","MoKα","","0.0671","0.0383","","","0.0824","0.0954","","","","","","1.115","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083159","13.702","0.003","14.544","0.003","26.567","0.005","90","","90","","90","","5294.3","1.9","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 P Sn -","- C30 H23 Cl2 P Sn -","- C240 H184 Cl16 P8 Sn8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0735","0.0363","","","0.0774","0.0878","","","","","","0.913","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083185","14.1031","0.001","18.697","0.0013","20.026","0.0014","90","","90","","90","","5280.6","0.6","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Cl P Sn -","- C26 H40 Cl P Sn -","- C208 H320 Cl8 P8 Sn8 -","8","1","","Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions","Organometallics","2014","33","10","2424","","10.1021/om500289b","","","0.71075","MoKα","","","0.0321","","","","0.0723","","","","","","0.901","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083219","16.6772","0.0019","14.3498","0.0016","22.951","0.003","90","","90","","90","","5492.5","1.1","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C72 H106 B40 Co4 N4 O17 S12 -","- C72 H106 B40 Co4 N4 O17 S12 -","- C144 H212 B80 Co8 N8 O34 S24 -","2","0.25","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0688","0.0519","","","0.1192","0.1237","","","","","","1.041","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083221","18.303","0.004","15.749","0.004","19.462","0.005","90","","90","","90","","5610","2","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B10 Co N O2 S3 -","- C22 H28 B10 Co N O2 S3 -","- C176 H224 B80 Co8 N8 O16 S24 -","8","1","","Zhong, Wei; Yang, Qiwu; Shang, Yi; Liu, Guifeng; Zhao, Haitao; Li, Yizhi; Yan, Hong","Synthesis and Reactivity of the Imido-Bridged Metallothiocarboranes CpCo(S2C2B10H10)(NSO2R)","Organometallics","2012","31","18","6658","","10.1021/om300735d","","","0.71073","MoKα","","0.0556","0.0446","","","0.1097","0.1128","","","","","","1.095","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083297","11.6747","0.0016","12.9731","0.0018","26.144","0.004","90","","90","","90","","3959.7","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Co S2 -","- C12 H25 B10 Co S2 -","- C96 H200 B80 Co8 S16 -","8","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0716","0.0442","","","0.0916","0.0969","","","","","","0.854","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083301","8.991","0.002","16.224","0.004","19.026","0.005","90","","90","","90","","2775.3","1.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B20 O2 S4 -","- C12 H28 B20 O2 S4 -","- C48 H112 B80 O8 S16 -","4","0.5","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0382","0.0351","","","0.1032","0.1054","","","","","","1.077","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083312","20.9911","0.0002","19.1749","0.0002","21.725","0.0002","90","","90","","90","","8744.36","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 Li N O3 Si -","- C48 H56 Li N O3 Si -","- C384 H448 Li8 N8 O24 Si8 -","8","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","1.54178","CuKα","","0.0413","0.037","","","0.1","0.1049","","","","","","1.001","","","","has coordinates,has disorder","178722","2020-10-21","18:00:00",""
"4083412","17.1262","0.0005","17.6768","0.0005","18.0392","0.0005","90","","90","","90","","5461.1","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H29 Ir N4 -","- C34 H29 Ir N4 -","- C272 H232 Ir8 N32 -","8","1","","Stringer, Bradley D.; Quan, Linh M.; Barnard, Peter J.; Wilson, David J. D.; Hogan, Conor F.","Iridium Complexes of N-Heterocyclic Carbene Ligands: Investigation into the Energetic Requirements for Efficient Electrogenerated Chemiluminescence","Organometallics","2014","33","18","4860","","10.1021/om500076w","","","0.71073","MoKα","","0.0373","0.0232","","","0.0495","0.0577","","","","","","1.152","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083429","18.5936","0.0007","7.8441","0.0003","24.6284","0.0011","90","","90","","90","","3592.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N3 O4 Pt -","- C18 H23 N3 O4 Pt -","- C144 H184 N24 O32 Pt8 -","8","1","","Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Sequential Introduction of Amide Hydrogen Bonding Groups","Organometallics","2009","28","13","3754","","10.1021/om900272w","","","0.71073","MoKα","","0.1008","0.0401","","","0.0741","0.0887","","","","","","0.911","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083432","19.5742","0.0009","11.7078","0.0006","26.4041","0.0013","90","","90","","90","","6051","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H39 Br N4 O5 Pt -","- C30 H39 Br N4 O5 Pt -","- C240 H312 Br8 N32 O40 Pt8 -","8","1","","Au, Richard H. W.; Jennings, Michael C.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Sequential Introduction of Amide Hydrogen Bonding Groups","Organometallics","2009","28","13","3754","","10.1021/om900272w","","","0.71073","MoKα","","0.0771","0.0358","","","0.0622","0.0732","","","","","","0.999","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083486","20.1469","0.0002","18.18328","0.00018","22.0518","0.0002","90","","90","","90","","8078.38","0.13","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H49 Al Cl4 Cu N5 -","- C38 H49 Al Cl4 Cu N5 -","- C304 H392 Al8 Cl32 Cu8 N40 -","8","1","","Nako, Adi E.; Tan, Qian Wen; White, Andrew J. P.; Crimmin, Mark R.","Weakly Coordinated Zinc and Aluminum σ-Complexes of Copper(I)","Organometallics","2014","33","11","2685","","10.1021/om500380k","","","1.54184","CuKα","","0.0389","0.0323","","","0.0834","0.0879","","","","","","1.013","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083584","11.008","0.003","14.337","0.004","23.124","0.006","90","","90","","90","","3649.5","1.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N5 -","- C22 H21 N5 -","- C176 H168 N40 -","8","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0711","0.0457","","","0.1166","0.1316","","","","","","1.047","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083601","13.6","0.008","10.698","0.007","25.474","0.016","90","","90","","90","","3706","4","297","2","297","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","1-bromo-3,5-bis(pentafluorophenyl)-4-nitro-benzene","4-bromo-N,N-dioxo-2,6-bis(pentafluorophenyl)anilinium","","- C18 H2 Br F10 N O2 -","- C18 H2 Br F10 N O2 -","- C144 H16 Br8 F80 N8 O16 -","8","1","","Olaru, Marian; Beckmann, Jens; Raţ, Ciprian I.","Polyfluorinated Functionalizedm-Terphenyls. New Substituents and Ligands in Organometallic Synthesis","Organometallics","2014","33","12","3012","","10.1021/om500244y","","","0.71073","MoKα","","0.0783","0.0536","","","0.1009","0.1094","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083609","9.609","0.0008","28.226","0.003","31.973","0.003","90","","90","","90","","8671.8","1.4","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H44 Cl8 N6 Pd -","- C40 H44 Cl8 N6 Pd -","- C320 H352 Cl64 N48 Pd8 -","8","1","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0891","0.0614","","","0.1241","0.1392","","","","","","1.103","","","","has coordinates,has disorder","178725","2020-10-21","18:00:00",""
"4083688","14.3447","0.0002","13.4055","0.0002","21.8565","0.0004","90","","90","","90","","4202.96","0.12","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H39 N2 O P2 Re -","- C16 H39 N2 O P2 Re -","- C128 H312 N16 O8 P16 Re8 -","8","1","","Choualeb, Aldjia; Lough, Alan J.; Gusev, Dmitry G.","Hydridic Rhenium Nitrosyl Complexes with Pincer-Type PNP Ligands","Organometallics","2007","26","14","3509","","10.1021/om070206+","","","0.71073","MoKα","","0.0556","0.037","","","0.0826","0.0911","","","","","","1.121","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083707","9.3985","0.0004","7.3499","0.0004","17.0003","0.0008","90","","90","","90","","1174.35","0.1","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H24 B2 N2 -","- C8 H24 B2 N2 -","- C32 H96 B8 N8 -","4","0.5","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele","Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides","Organometallics","2014","33","20","5716","","10.1021/om500467b","","","0.71073","MoKα","","0.0936","0.0688","","","0.1667","0.1833","","","","","","1.152","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083756","14.5544","0.0006","15.7135","0.0006","19.3095","0.0007","90","","90","","90","","4416.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cmpd15","cmpd15","","- C21 H35 Mo N3 O -","- C21 H35 Mo N3 O -","- C168 H280 Mo8 N24 O8 -","8","1","","Yonke, Brendan L.; Reeds, Jonathan P.; Fontaine, Philip P.; Zavalij, Peter Y.; Sita, Lawrence R.","Catalytic Production of Isocyanates via Orthogonal Atom and Group Transfers Employing a Shared Formal Group 6 M(II)/M(IV) Redox Cycle","Organometallics","2014","","","140626135101001","","10.1021/om500532s","","","0.71073","MoKα","","0.0237","0.02","","","0.0437","0.045","","","","","","1","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083757","17.874","0.002","18.164","0.002","21.06","0.003","90","","90","","90","","6837.4","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H47 Fe O P Sn -","- C36 H47 Fe O P Sn -","- C288 H376 Fe8 O8 P8 Sn8 -","8","1","","Mampa, Richard M.; Fernandes, Manuel A.; Carlton, Laurence","Iron-57 NMR and Structural Study of [Fe(η5-Cp)(SnPh3)(CO)(PR3)] (PR3= Phosphine, Phosphite). Separation of Steric and Electronic σ and π Effects","Organometallics","2014","","","140626113119005","","10.1021/om4011593","","","0.71073","MoKα","","0.0674","0.0488","","","0.1261","0.1445","","","","","","1.037","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083783","20.2789","0.0006","9.4519","0.0003","21.9379","0.0007","90","","90","","90","","4204.9","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Br2 Cl3 N3 Pd -","- C17 H18 Br2 Cl3 N3 Pd -","- C136 H144 Br16 Cl24 N24 Pd8 -","8","1","","Bernhammer, Jan C.; Chong, Ning Xi; Jothibasu, Ramasamy; Zhou, Binbin; Huynh, Han Vinh","Palladium(II) Complexes Bearing an Indazole-Derived N-Heterocyclic Carbene and Phosphine Coligands as Catalysts for the Sonogashira Coupling and the Hydroamination of Alkynes","Organometallics","2014","","","140627160434001","","10.1021/om500566n","","","0.71073","MoKα","","0.0358","0.024","","","0.0485","0.0513","","","","","","1.034","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083799","11.6387","0.0007","20.9611","0.0013","28.5005","0.0017","90","","90","","90","","6953","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C264 H200 B8 Cl16 F32 N32 O48 Ru16 -","8","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0729","0.0597","","","0.112","0.1166","","","","","","1.241","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083856","29.57","0.0013","14.856","0.004","14.926","0.0015","90","","90","","90","","6556.9","1.9","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H44 N2 O4 Pt -","- C34 H44 N2 O4 Pt -","- C272 H352 N16 O32 Pt8 -","8","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","C∧N-Cyclometalated Platinum(II) Complexes with Sterically Demanding 1,2-Diarylimidazole Ligands","Organometallics","2014","","","140701164044003","","10.1021/om500383b","","","0.71073","MoKα","","0.0879","0.0409","","","0.0611","0.0741","","","","","","1.178","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083929","21.766","0.003","18.131","0.003","22.381","0.004","90","","90","","90","","8832","2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53 H44 Cl O3.5 P2 Ru S -","- C53 H44 Cl O3.5 P2 Ru S -","- C424 H352 Cl8 O28 P16 Ru8 S8 -","8","1","","Bashir, Oumar; Piche, Laurence; Claverie, Jerome P.","18-Electron Ruthenium Phosphine Sulfonate Catalysts for Olefin Metathesis","Organometallics","2014","33","14","3695","","10.1021/om500212x","","","0.71073","MoKα","","0.1424","0.0586","","","0.1094","0.1418","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084009","17.2925","0.0003","18.7276","0.0003","22.4687","0.0003","90","","90","","90","","7276.4","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H26 Cl O13 Os3 Sb -","- C31 H26 Cl O13 Os3 Sb -","- C248 H208 Cl8 O104 Os24 Sb8 -","8","1","","Li, Ying-Zhou; Ganguly, Rakesh; Leong, Weng Kee","Binuclear Oxidative Addition of Sb‒Cl Bonds: A Facile Synthetic Route to Main Group‒Transition Element Clusters and Rings","Organometallics","2014","33","14","3867","","10.1021/om500565d","","","0.71073","MoKα","","0.0254","0.0211","","","0.0433","0.0446","","","","","","1.111","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084053","12.36","0.006","16.735","0.008","17.747","0.009","90","","90","","90","","3671","3","203","2","203","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Fe N -","- C23 H23 Fe N -","- C184 H184 Fe8 N8 -","8","1","","Enders, Markus; Ludwig, Gunter; Pritzkow, Hans","Novel Reactivity of Ferrocene Derivatives toward Lewis Acids: Decomplexation with Boron Trichloride and Synthesis of a Triple-Decker-like Iron−Zinc Complex†","Organometallics","2002","21","19","3856","","10.1021/om020306+","","","0.71069","MoKα","","0.1297","0.0539","","","0.1039","0.1256","","","","","","0.998","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084066","6.3972","0.0001","19.2951","0.0004","21.8976","0.0006","90","","90","","90","","2702.92","0.1","203","2","203","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Au Cl O P -","- C12 H17 Au Cl O P -","- C96 H136 Au8 Cl8 O8 P8 -","8","1","","Schröder, Felix; Tugny, Coralie; Salanouve, Elise; Clavier, Hervé; Giordano, Laurent; Moraleda, Delphine; Gimbert, Yves; Mouriès-Mansuy, Virginie; Goddard, Jean-Philippe; Fensterbank, Louis","Secondary Phosphine Oxide‒Gold(I) Complexes and Their First Application in Catalysis","Organometallics","2014","33","15","4051","","10.1021/om500568q","","x-ray","0.71073","MoKα","","0.05","0.0343","","","0.0789","0.0843","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084088","14.1181","0.0002","13.603","0.0002","17.5427","0.0002","90","","90","","90","","3369.05","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 Cr N -","- C18 H18 Cl2 Cr N -","- C144 H144 Cl16 Cr8 N8 -","8","1","","Enders, Markus; Fernández, Pablo; Ludwig, Gunter; Pritzkow, Hans","New Chromium(III) Complexes as Highly Active Catalysts for Olefin Polymerization","Organometallics","2001","20","24","5005","","10.1021/om010753+","","","0.71073","MoKα","","0.054","0.0305","","","0.0749","0.0823","","","","","","0.956","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084150","14.9104","0.0005","20.7073","0.0007","22.3889","0.0007","90","","90","","90","","6912.7","0.4","153","","153","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H39 Cl F6 Ir Ni P3 S2 -","- C29 H39 Cl F6 Ir Ni P3 S2 -","- C232 H312 Cl8 F48 Ir8 Ni8 P24 S16 -","8","1","","Kure, Bunsho; Sano, Mikie; Nakajima, Takayuki; Tanase, Tomoaki","Systematic Heterodinuclear Complexes with MM′(μ-meppp) Centers That Tune the Properties of a Nesting Hydride (M = Ni, Pd, Pt; M′ = Rh, Ir; H2meppp =meso-1,3-Bis[(mercaptoethyl)phenylphosphino]propane)","Organometallics","2014","33","15","3950","","10.1021/om500410f","","","0.71075","MoKα","","","0.0501","","","","0.1416","","","","","","1.125","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084176","14.132","0.0007","16.1975","0.0011","18.2062","0.001","90","","90","","90","","4167.5","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Al B Cl4 N2 O2 -","- C15 H20 Al B Cl4 N2 O2 -","- C120 H160 Al8 B8 Cl32 N16 O16 -","8","1","","Do, Dinh Cao Huan; Muthaiah, Senthilkumar; Ganguly, Rakesh; Vidović, Dragoslav","Synthesis of N-Heterocyclic Carbene Stabilized Catecholatoborenium Cations by Ligand Substitution","Organometallics","2014","33","16","4165","","10.1021/om500434r","","","0.71073","","","0.0636","0.036","","","0.087","0.1117","","","","","","1.094","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084265","15.4907","0.001","15.9467","0.001","22.5005","0.0015","90","","90","","90","","5558.2","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H37 Cr N6 -","- C27 H37 Cr N6 -","- C216 H296 Cr8 N48 -","8","1","","Gurnham, Joanna; Gambarotta, Sandro; Korobkov, Ilia; Jasinska-Walc, Lidia; Duchateau, Robbert","Chromium-Catalyzed CO2‒Epoxide Copolymerization","Organometallics","2014","33","17","4401","","10.1021/om5005644","","","0.71073","MoKα","","0.1226","0.0702","","","0.1649","0.1963","","","","","","1.03","","","","has coordinates,has disorder","178731","2020-10-21","18:00:00",""
"4084310","22.2634","0.0013","21.2876","0.0012","22.5234","0.0013","90","","90","","90","","10674.6","1.1","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","8 in manuscript","","","- C57.5 H46 Au B Cl F15 Fe N2 -","- C57.5 H46 Au B Cl F15 Fe N2 -","- C460 H368 Au8 B8 Cl8 F120 Fe8 N16 -","8","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0748","0.0373","","","0.0664","0.0787","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4084321","11.7271","0.0014","15.6966","0.0019","20.646","0.003","90","","90","","90","","3800.4","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonjcm23","{[Cp*Rh(O-PhPy)]2}2+ [BF4]2-","","- C42 H46 B2 F8 N2 O2 Rh2 -","- C42 H46 B2 F8 N2 O2 Rh2 -","- C168 H184 B8 F32 N8 O8 Rh8 -","4","0.5","","Turlington, Christopher R.; Morris, James; White, Peter S.; Brennessel, William W.; Jones, William D.; Brookhart, Maurice; Templeton, Joseph L.","Exploring Oxidation of Half-Sandwich Rhodium Complexes: Oxygen Atom Insertion into the Rhodium‒Carbon Bond of κ2-Coordinated 2-Phenylpyridine","Organometallics","2014","33","17","4442","","10.1021/om500660n","","","0.71073","MoKα","","0.1052","0.0476","","","0.0828","0.0999","","","","","","1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084402","17.421","0.003","21.212","0.004","34.351","0.006","90","","90","","90","","12694","4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61.84 H76.61 Br2 N2 Ni2 O0.46 P2 -","- C61.844 H76.61 Br2 N2 Ni2 O0.461 P2 -","- C494.752 H612.88 Br16 N16 Ni16 O3.688 P16 -","8","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.7107","MoKα","","0.1349","0.0798","","","0.1868","0.2166","","","","","","1.058","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084431","15.162","0.002","22.034","0.003","30.43","0.004","90","","90","","90","","10166","2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(L2)Rh(crotyl)(CO)","","","- C57 H55 O11 P2 Rh -","- C57 H55 O11 P2 Rh -","- C456 H440 O88 P16 Rh8 -","8","1","","Schmidt, Sebastian; Baráth, Eszter; Prommnitz, Tanja; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter","Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene","Organometallics","2014","33","21","6018","","10.1021/om500643t","","","0.71073","MoKα","","0.1037","0.079","","","0.1411","0.1499","","","","","","1.217","","","","has coordinates,has disorder","178733","2020-10-21","18:00:00",""
"4084479","11.4194","0.0008","15.3929","0.0011","26.9717","0.0018","90","","90","","90","","4741","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Cl2 Co N2 P2 -","- C20 H37 Cl2 Co N2 P2 -","- C160 H296 Cl16 Co8 N16 P16 -","8","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.03","0.0244","","","0.0508","0.0525","","","","1.5","1.5","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084481","14.6089","0.0013","17.1689","0.0016","19.2961","0.0018","90","","90","","90","","4839.8","0.8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H37 Cl Co N2 O P2 -","- C21 H37 Cl Co N2 O P2 -","- C168 H296 Cl8 Co8 N16 O8 P16 -","8","1","","Murugesan, Sathiyamoorthy; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Synthesis and Reactivity of Four- and Five-Coordinate Low-Spin Cobalt(II) PCP Pincer Complexes and Some Nickel(II) Analogues","Organometallics","2014","","","141009125933001","","10.1021/om5007769","","x-ray","0.71073","MoKα","","0.0462","0.029","","","0.0407","0.0424","","","","1.59","1.59","1.48","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084519","16.1828","0.0003","17.4407","0.0003","27.6211","0.0005","90","","90","","90","","7795.8","0.2","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C84 H128 Al2 Li2 -","- C84 H128 Al2 Li2 -","- C336 H512 Al8 Li8 -","4","0.5","","Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.","Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions","Organometallics","2014","33","21","6232","","10.1021/om500911f","","","1.54178","CuKα","","0.044","0.0403","","","0.1079","0.1112","","","","","","1.032","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084579","14.582","0.009","27.583","0.017","35.38","0.02","90","","90","","90","","14230","15","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H40 Br Cl2 N3 O2.5 Pd -","- C35 H38 Br Cl2 N3 O2.5 Pd -","- C560 H608 Br16 Cl32 N48 O40 Pd16 -","16","2","","Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Insertion Reactions on Carbopalladated Benzyne: From Eight- to Nine- and Ten-Membered Palladacycles. Applications to the Synthesis of N-Heterocycles","Organometallics","2014","33","22","6420","","10.1021/om500772p","","","0.71073","MoKα","","0.0718","0.0532","","","0.1313","0.1419","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084599","17.296","0.002","12.4255","0.0014","22.067","0.003","90","","90","","90","","4742.5","1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H29 I N4 Pt -","- C23 H29 I N4 Pt -","- C184 H232 I8 N32 Pt8 -","8","1","","McCready, Matthew S.; Puddephatt, Richard J.","The Platinum Center is a Stronger Nucleophile than the Free Nitrogen Donors in a Dimethylplatinum Complex with a Dipyridylpyridazine Ligand","Organometallics","2015","34","11","2261","","10.1021/om501023r","","","0.71073","MoKα","","0.086","0.0364","","","0.0603","0.0737","","","","","","1.003","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4084641","22.226","0.004","7.2948","0.0015","22.905","0.005","90","","90","","90","","3713.7","1.3","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Br Fe N O6 -","- C18 H14 Br Fe N O6 -","- C144 H112 Br8 Fe8 N8 O48 -","8","1","","Song, Li-Cheng; Hu, Fu-Qiang; Zhao, Gao-Yu; Zhang, Ji-Wei; Zhang, Wei-Wei","Several New [Fe]Hydrogenase Model Complexes with a Single Fe Center Ligated to an Acylmethyl(hydroxymethyl)pyridine or Acylmethyl(hydroxy)pyridine Ligand","Organometallics","2014","33","22","6614","","10.1021/om5009296","","","0.71073","MoKα","","0.0777","0.0537","","","0.1159","0.1266","","","","","","1.114","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084704","11.8909","0.0018","23.798","0.004","39.233","0.006","90","","90","","90","","11102","3","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H46 N2 P2 Si -","- C24 H46 N2 P2 Si -","- C384 H736 N32 P32 Si16 -","16","2","","Whited, Matthew T.; Deetz, Alexander M.; Boerma, Joseph W.; DeRosha, Daniel E.; Janzen, Daron E.","Formation of Chlorosilyl Pincer-Type Rhodium Complexes by Multiple Si‒H Activations of Bis(phosphine)/Dihydrosilyl Ligands","Organometallics","2014","33","19","5070","","10.1021/om5006319","","","0.71075","MoKα","","0.1053","0.0661","","","0.1316","0.144","","","","","","1.088","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084706","14.6106","0.0015","16.329","0.0016","25.127","0.003","90","","90","","90","","5994.7","1.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(POCOP)Rh(C6H4F)(NHPh)","","","- C30 H41 F N O2 P2 Rh -","- C30 H41 F N O2 P2 Rh -","- C240 H328 F8 N8 O16 P16 Rh8 -","8","1","","Timpa, Samuel D.; Pell, Christopher J.; Zhou, Jia; Ozerov, Oleg V.","Fate of Aryl/Amido Complexes of Rhodium(III) Supported by a POCOP Pincer Ligand: C‒N Reductive Elimination, β-Hydrogen Elimination, and Relevance to Catalysis","Organometallics","2014","33","19","5254","","10.1021/om500577w","","","0.71073","MoKα","","0.0429","0.0294","","","0.0658","0.0726","","","","","","1.031","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084743","15.534","0.003","19.993","0.004","24.814","0.005","90","","90","","90","","7707","3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C45 H40 Cl N4 O3 P Ru -","- C45 H40 Cl N4 O3 P Ru -","- C360 H320 Cl8 N32 O24 P8 Ru8 -","8","1","","Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands","Organometallics","2014","33","19","5129","","10.1021/om5002777","","x-ray","0.71073","MoKα","","0.0622","0.0389","","","0.0762","0.0855","","","","","","1.172","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084762","10.9609","0.0002","16.6816","0.0003","20.7506","0.0004","90","","90","","90","","3794.15","0.12","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N Ti -","- C24 H23 N Ti -","- C192 H184 N8 Ti8 -","8","1","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.0706","0.0392","","","0.0883","0.1045","","","","","","1.029","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084774","15.3095","0.0002","17.2789","0.0003","20.0357","0.0003","90","","90","","90","","5300.07","0.14","100","","100","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Ni O3 P2 Si -","- C21 H40 Ni O3 P2 Si -","- C168 H320 Ni8 O24 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0266","0.0262","","","0.0738","0.0742","","","","","","1.044","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084780","12.5789","0.0004","11.8184","0.0004","28.1956","0.001","90","","90","","90","","4191.6","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C21.33 H44 F4 Ni1.33 O2.67 P2.67 -","- C21.3333 H44 F4 Ni1.33333 O2.66667 P2.66667 -","- C128 H264 F24 Ni8 O16 P16 -","6","0.75","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities","Organometallics","2014","33","22","6568","","10.1021/om500916d","","","1.54178","CuKα","","0.0322","0.0321","","","0.0871","0.0873","","","","","","1.063","","","","has coordinates,has disorder","178736","2020-10-21","18:00:00",""
"4084800","16.9056","0.0019","11.9713","0.0014","32.292","0.004","90","","90","","90","","6535.3","1.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H40 B Ir N4 O3 -","- C35 H40 B Ir N4 O3 -","- C280 H320 B8 Ir8 N32 O24 -","8","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0486","0.0347","","","0.0779","0.083","","","","","","1.077","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084801","11.795","0.003","24.438","0.006","27.574","0.007","90","","90","","90","","7948","3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H50 B N4 O3 Rh Si -","- C42 H50 B N4 O3 Rh Si -","- C336 H400 B8 N32 O24 Rh8 Si8 -","8","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.1222","0.0575","","","0.1066","0.1282","","","","","","1.01","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084820","14.293","0.0012","17.7981","0.0013","31.814","0.0014","90","","90","","90","","8093.1","1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H44 N2 O5 Sn W -","- C43 H44 N2 O5 Sn W -","- C344 H352 N16 O40 Sn8 W8 -","8","1","","Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes","Organometallics","2014","33","23","6778","","10.1021/om500698k","","","0.71073","MoKα","","0.0626","0.0358","","","0.0643","0.0739","","","","","","1.181","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084825","12.29","0.002","34.719","0.006","15.244","0.003","90","","90","","90","","6505","2","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H51 B2 Cl3 N2 P2 Ru -","- C25 H51 B2 Cl3 N2 P2 Ru -","- C200 H408 B16 Cl24 N16 P16 Ru8 -","8","1","","Miyada, Takuma; Huang Kwan, Enrique; Yamashita, Makoto","Synthesis, Structure, and Bonding Properties of Ruthenium Complexes Possessing a Boron-Based PBP Pincer Ligand and Their Application for Catalytic Hydrogenation","Organometallics","2014","33","23","6760","","10.1021/om500585j","","","0.71075","MoKα","","0.1079","0.0919","","","0.1978","0.2076","","","","","","1.189","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084845","16.083","0.003","19.993","0.003","31.806","0.005","90","","90","","90","","10227","3","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Br Fe N4 O P2 -","- C20 H37 Br Fe N4 O P2 -","- C320 H592 Br16 Fe16 N64 O16 P32 -","16","2","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0575","0.0393","","","0.0496","0.0505","","","","3.11","3.11","2.77","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4084847","11.641","0.003","15.517","0.003","26.757","0.006","90","","90","","90","","4833.2","1.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H34 Fe N4 O P2 S -","- C19 H34 Fe N4 O P2 S -","- C152 H272 Fe8 N32 O8 P16 S8 -","8","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl","Efficient Hydrogenation of Ketones and Aldehydes Catalyzed by Well-Defined Iron(II) PNP Pincer Complexes: Evidence for an Insertion Mechanism","Organometallics","2014","33","23","6905","","10.1021/om5009814","","x-ray","0.71073","MoKα","","0.0316","0.0231","","","0.0324","0.0331","","","","2.12","2.12","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084901","16.6153","0.0007","18.7713","0.0008","24.1979","0.0013","90","","90","","90","","7547.1","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H56 B2 N2 P2 Pt -","- C38 H56 B2 N2 P2 Pt -","- C304 H448 B16 N16 P16 Pt8 -","8","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.0743","0.0404","","","0.0868","0.0965","","","","","","0.92","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084902","20.396","0.002","9.1234","0.0008","27.157","0.002","90","","90","","90","","5053.4","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H31 B2 N3 -","- C23 H31 B2 N3 -","- C184 H248 B16 N24 -","8","1","","Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)","Organometallics","2014","33","23","6967","","10.1021/om501087u","","","0.71073","MoKα","","0.1673","0.1265","","","0.2783","0.2922","","","","","","1.181","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084931","15.061","0.006","10.966","0.004","15.944","0.006","90","","90","","90","","2633.3","1.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N2 O -","- C14 H19 N2 O -","- C112 H152 N16 O8 -","8","1","","Zhai, Feng; Jordan, Richard F.","Hydrogen Bonding Behavior of Amide-Functionalized α-Diimine Palladium Complexes","Organometallics","2014","33","24","7176","","10.1021/om500978n","","","0.71073","MoKα","","0.0996","0.0563","","","0.1095","0.1186","","","","","","0.859","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084972","23.108","0.003","8.366","0.001","26.211","0.003","90","","90","","90","","5067.2","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H32 N2 O Pd -","- C29 H32 N2 O Pd -","- C232 H256 N16 O8 Pd8 -","8","1","","Pong, Frances Y.; Mandal, Sukhendu; Sen, Ayusman","Steric and Electronic Effects in Ethene/Norbornene Copolymerization by Neutral Salicylaldiminato-Ligated Palladium(II) Catalysts","Organometallics","2014","33","24","7044","","10.1021/om500470t","","","0.71073","MoKα","","0.0388","0.033","","","0.0769","0.0794","","","","","","1.084","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084985","17.537","0.0006","16.7133","0.0005","19.1594","0.0004","90","","90","","90","","5615.6","0.3","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C56 H58 B2 F8 N2 Ni P4 S2 -","- C56 H58 B2 F8 N2 Ni P4 S2 -","- C224 H232 B8 F32 N8 Ni4 P16 S8 -","4","0.5","","Ghisolfi, Alessio; Condello, Francesca; Fliedel, Christophe; Rosa, Vitor; Braunstein, Pierre","Facile and Room-Temperature Activation of Csp3‒Cl Bonds by Cheap and Air-Stable Nickel(II) Complexes of (N-Thioether) DPPA-Type Ligands","Organometallics","2015","34","11","2255","","10.1021/om501004d","","","0.71073","MoKα","","0.0789","0.0433","","","0.109","0.1346","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085127","16.4813","0.0009","16.3435","0.0009","22.2827","0.0012","90","","90","","90","","6002.1","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H34 Fe3 Ir N O10 -","- C26 H34 Fe3 Ir N O10 -","- C208 H272 Fe24 Ir8 N8 O80 -","8","1","","Bortoluzzi, Marco; Ciabatti, Iacopo; Femoni, Cristina; Hayatifar, Mohammad; Iapalucci, Maria Carmela; Zacchini, Stefano","[H3‒nFe4(CO)12(IrCOD)]n−(n= 1, 2) and [H2Fe3(CO)10(IrCOD)]−Bimetallic Fe‒Ir Hydride Carbonyl Clusters","Organometallics","2015","34","1","189","","10.1021/om5010513","","","0.71073","MoKα","","0.0494","0.0261","","","0.0486","0.0561","","","","","","1.032","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085199","43.96","0.02","13.802","0.008","10.668","0.006","90","","90","","90","","6473","6","291","2","291","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H37 B10 Co Fe O4 S2 -","- C27 H37 B10 Co Fe O4 S2 -","- C216 H296 B80 Co8 Fe8 O32 S16 -","8","1","","Liu, Guifeng; Yan, Hong","Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes","Organometallics","2015","34","3","591","","10.1021/om501016w","","","0.71073","MoKα","","0.0592","0.0401","","","0.0832","0.0865","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085225","8.4226","0.00003","23.97936","0.00006","26.69906","0.00007","90","","90","","90","","5392.37","0.03","110","1","110","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H31 Cl Ir N5 -","- C30 H31 Cl Ir N5 -","- C240 H248 Cl8 Ir8 N40 -","8","1","","Müller, Astrid L.; Bleith, Tim; Roth, Torsten; Wadepohl, Hubert; Gade, Lutz H.","Iridium Half-Sandwich Complexes with Di- and Tridentate Bis(pyridylimino)isoindolato Ligands: Stoichiometric and Catalytic Reactivity","Organometallics","2015","34","11","2326","","10.1021/om501138t","","x-ray","1.5418","CuKα","","0.0181","0.0178","","","0.0441","0.0442","","","","","","1.126","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085234","11.4952","0.0003","13.611","0.0004","26.4708","0.0007","90","","90","","90","","4141.7","0.2","193","2","193","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Cl Fe Ge N2 O4 -","- C15 H23 Cl Fe Ge N2 O4 -","- C120 H184 Cl8 Fe8 Ge8 N16 O32 -","8","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.0577","0.0322","","","0.0839","0.0935","","","","","","1.06","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085264","11.9231","0.0012","23.13","0.003","28.416","0.003","90","","90","","90","","7836.6","1.5","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Au B F4 N4 -","- C38 H58 Au B F4 N4 -","- C304 H464 Au8 B8 F32 N32 -","8","1","","Lazreg, Faïma; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Synthesis of Homoleptic and Heteroleptic Bis-N-heterocylic Carbene Group 11 Complexes","Organometallics","2015","34","2","419","","10.1021/om500882t","","","0.71075","MoKα","","","0.0276","","","","0.0546","","","","","","1.058","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085284","12.3808","0.0002","17.8464","0.0002","29.4377","0.0004","90","","90","","90","","6504.34","0.16","183","1","183","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(μ^2^-Biphenyl-4,4'-diethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-bis(isothiocyanato)-diiron","","- C58 H104 Fe2 N2 P8 S2 -","- C58 H104 Fe2 N2 P8 S2 -","- C232 H416 Fe8 N8 P32 S8 -","4","0.5","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.71073","MoKα","","0.0513","0.0392","","","0.092","0.0992","","","","","","1.023","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085292","14.2515","0.0014","15.9542","0.0015","26.784","0.003","90","","90","","90","","6089.9","1.1","88","2","88","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H49 K N2 O6 Si -","- C26 H49 K N2 O6 Si -","- C208 H392 K8 N16 O48 Si8 -","8","1","","Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Reactivity of the Ln2+Complexes [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln]: Reduction of Naphthalene and Biphenyl","Organometallics","2015","34","11","2287","","10.1021/om501063h","","","0.71073","MoKα","","0.0573","0.0356","","","0.0786","0.088","","","","","","1.006","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085295","12.087","0.0005","11.422","0.0009","12.2411","0.0008","90","","90","","90","","1689.98","0.19","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H9 B8 Br -","- C2 H9 B8 Br -","- C16 H72 B64 Br8 -","8","1","","Bakardjiev, Mario; Štíbr, Bohumil; Holub, Josef; Padělková, Zdenka; Růžička, Aleš","Simple Synthesis, Halogenation, and Rearrangement ofcloso-1,6-C2B8H10","Organometallics","2015","34","2","450","","10.1021/om500988z","","","0.71073","MoKα","","0.0543","0.0366","","","0.088","0.1003","","","","","","1.137","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085400","16.2393","0.0009","16.5283","0.0009","36.194","0.002","90","","90","","90","","9714.8","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H54 B10 N3 O Y -","- C33 H54 B10 N3 O Y -","- C264 H432 B80 N24 O8 Y8 -","8","1","","Yang, Jingying; Xie, Zuowei","Reactivity of Traditional Metal‒Carbon (Alkyl) versus Nontraditional Metal‒Carbon (Cage) Bonds in Organo-Rare-Earth Metal Complexes [η5:σ-(C9H6)(C2B10H10)]Ln(CH2C6H4-o-NMe2)(THF)2","Organometallics","2015","34","11","2494","","10.1021/om501212e","","","0.71073","MoKα","","0.0865","0.044","","","0.1016","0.1132","","","","","","0.949","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085433","19.2637","0.0018","16.7591","0.0018","24.48","0.003","90","","90","","90","","7903.2","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H59 Cl2 N W -","- C41 H59 Cl2 N W -","- C328 H472 Cl16 N8 W8 -","8","1","","Axtell, Jonathan C.; Schrock, Richard R.; Müller, Peter; Hoveyda, Amir H.","Synthesis of Molybdenum and Tungsten Alkylidene Complexes That Contain the 2,6-Bis(2,4,6-triisopropylphenyl)phenylimido (NHIPT) Ligand","Organometallics","2015","34","11","2110","","10.1021/om501213x","","","0.71073","MoKα","","0.0823","0.0587","","","0.1315","0.1428","","","","","","1.103","","","","has coordinates,has disorder","178743","2020-10-21","18:00:00",""
"4085497","15.425","0.001","13.013","0.001","22.356","0.002","90","0","90","0","90","0","4487.4","0.6","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Compound 7","","","- C26 H32 Cr N2 -","- C26 H32 Cr N2 -","- C208 H256 Cr8 N16 -","8","1","","Noor, Awal; Schwarz, Stefan; Kempe, Rhett","Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond","Organometallics","2015","34","11","2122","","10.1021/om501230g","","","0.71069","MoKα","","0.1821","0.0454","","","0.0881","0.1073","","","","","","0.507","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085502","21.026","0.007","13.208","0.005","32.424","0.011","90","","90","","90","","9005","5","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5","","","- C52 H67 N3 W -","- C52 H67 N3 W -","- C416 H536 N24 W8 -","8","1","","Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi","Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene","Organometallics","2015","34","4","731","","10.1021/om501010n","","","0.71075","MoKα","","0.1038","0.0986","","","0.2269","0.2322","","","","","","1.238","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085560","17.2649","0.0018","16.7361","0.0018","36.86","0.004","90","","90","","90","","10651","2","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C61 H53 F7 N P3 Pt Sb2 -","- C61 H53 F7 N P3 Pt Sb2 -","- C488 H424 F56 N8 P24 Pt8 Sb16 -","8","1","","Jones, James S.; Wade, Casey R.; Gabba\?ï, François P.","Guilty on Two Counts: Stepwise Coordination of Two Fluoride Anions to the Antimony Atom of a Noninnocent Stibine Ligand","Organometallics","2015","34","11","2647","","10.1021/om501291g","","","0.71073","MoKα","","0.0449","0.0297","","","0.0545","0.0599","","","","","","1.063","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085565","27.517","0.002","15.031","0.001","30.299","0.002","90","","90","","90","","12531.9","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C94.06 H56.37 Cl3.69 Ir N -","- C94.058 H56.372 Cl3.686 Ir N -","- C752.464 H450.976 Cl29.488 Ir8 N8 -","8","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions","Organometallics","2015","34","5","879","","10.1021/om501210s","","","0.84344","synchrotron","","0.1232","0.1148","","","0.2615","0.2645","","","","","","1.063","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085609","12.26","0.006","21.8","0.013","32.613","0.018","90","","90","","90","","8716","8","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C41 H34 Au Cl F12 N8 P2 Ru -","- C41 H34 Au Cl F12 N8 P2 Ru -","- C328 H272 Au8 Cl8 F96 N64 P16 Ru8 -","8","1","","Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz","Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands","Organometallics","2015","34","6","1046","","10.1021/om501158m","","","0.71073","MoKα","","0.0665","0.0364","","","0.0646","0.0728","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085745","18.955","0.0016","14.3972","0.0008","22.61","0.0018","90","","90","","90","","6170.2","0.8","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H39 N3 O3 Pd S -","- C32 H39 N3 O3 Pd S -","- C256 H312 N24 O24 Pd8 S8 -","8","1","","Li, Minliang; Song, Haibin; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of N-Heterocyclic Carbene-Sulfonate-Ligated Palladacycles","Organometallics","2015","34","10","1969","","10.1021/acs.organomet.5b00214","","","0.71075","MoKα","","0.0366","0.0305","","","0.0737","0.0769","","","","","","1.086","","","","has coordinates","140190","2020-10-21","18:00:00",""
"4085751","7.365","0.0006","23.435","0.002","32.712","0.003","90","","90","","90","","5646.1","0.8","115","","115","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Cl O P Ti -","- C31 H42 Cl O P Ti -","- C248 H336 Cl8 O8 P8 Ti8 -","8","1","","Normand, Adrien T.; Richard, Philippe; Balan, Cédric; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard; Le Gendre, Pierre","Synthetic Endeavors toward Titanium Based Frustrated Lewis Pairs with Controlled Electronic and Steric Properties","Organometallics","2015","","","150513110717003","","10.1021/acs.organomet.5b00250","","x-ray","0.71073","MoKα","","0.0725","0.0383","","","0.0764","0.0864","","","","","","1.026","","","","has coordinates","136572","2020-10-21","18:00:00",""
"4085794","14.8931","0.0019","20.025","0.003","21.472","0.003","90","","90","","90","","6403.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H47 O P2 Rh -","- C34 H47 O P2 Rh -","- C272 H376 O8 P16 Rh8 -","8","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","POP‒Rhodium-Promoted C‒H and B‒H Bond Activation and C‒B Bond Formation","Organometallics","2015","34","10","1911","","10.1021/acs.organomet.5b00176","","","0.71073","MoKα","","0.0921","0.0398","","","0.0842","0.0948","","","","","","0.861","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085822","9.2765","0.0002","16.6175","0.0004","26.6771","0.0006","90","","90","","90","","4112.33","0.16","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Fe N2 O P -","- C24 H23 Fe N2 O P -","- C192 H184 Fe8 N16 O8 P8 -","8","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0607","0.0398","","","0.0904","0.0996","","","","","","1.026","","","","has coordinates","140185","2020-10-21","18:00:00",""
"4085823","8.7368","0.0003","13.4194","0.0004","42.4097","0.0012","90","","90","","90","","4972.2","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Fe N2 O P -","- C30 H27 Fe N2 O P -","- C240 H216 Fe8 N16 O8 P8 -","8","1","","Škoch, Karel; Císařová, Ivana; Štěpnička, Petr","Phosphinoferrocene Ureas: Synthesis, Structural Characterization, and Catalytic Use in Palladium-Catalyzed Cyanation of Aryl Bromides","Organometallics","2015","34","10","1942","","10.1021/acs.organomet.5b00197","","","0.71073","MoKα","","0.0488","0.0368","","","0.0758","0.0797","","","","","","1.084","","","","has coordinates","140185","2020-10-21","18:00:00",""
"4085838","17.5141","0.0007","14.3683","0.0006","23.0704","0.0009","90","","90","","90","","5805.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H52 N2 Os P2 -","- C27 H52 N2 Os P2 -","- C216 H416 N16 Os8 P16 -","8","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.0308","0.0202","","","0.0423","0.0441","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085877","14.247","0.005","10.234","0.005","24.15","0.005","90","","90","","90","","3521","2","109.95","0.1","109.95","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N Si2 -","- C15 H23 N Si2 -","- C120 H184 N8 Si16 -","8","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich","Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes","Organometallics","2015","34","12","2826","","10.1021/acs.organomet.5b00104","","","0.71073","MoKα","","0.059","0.0419","","","0.096","0.102","","","","","","1.033","","","","has coordinates","154753","2020-10-21","18:00:00",""
"4085939","18.8526","0.0014","19.576","0.0015","20.9753","0.0016","90","","90","","90","","7741.1","1","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H61 Fe N5 Si -","- C36 H61 Fe N5 Si -","- C288 H488 Fe8 N40 Si8 -","8","1","","Wang, Xiaojie; Zhang, Jia; Wang, Lei; Deng, Liang","High-Spin Iron(II) Alkynyl Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Reactivity Study","Organometallics","2015","34","12","2775","","10.1021/acs.organomet.5b00028","","","0.71073","MoKα","","0.0974","0.052","","","0.1322","0.1618","","","","","","1.017","","","","has coordinates","140203","2020-10-21","18:00:00",""
"4085989","11.993","0.004","18.945","0.006","20.2","0.007","90","","90","","90","","4590","3","140","1","140","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Ir N2 O P0 S -","- C22 H36 Cl Ir N2 O S -","- C176 H288 Cl8 Ir8 N16 O8 S8 -","8","1","","Dub, Pavel A.; Scott, Brian L.; Gordon, John C.","Air-Stable NNS (ENENES) Ligands and Their Well-Defined Ruthenium and Iridium Complexes for Molecular Catalysis","Organometallics","2015","34","18","4464","","10.1021/acs.organomet.5b00432","","","0.71073","MoKα","","0.0214","0.0171","","","0.0434","0.0443","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086061","13.6793","0.0002","19.1488","0.0003","19.1655","0.0003","90","","90","","90","","5020.25","0.13","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Cl Ni O2 P2 -","- C26 H31 Cl Ni O2 P2 -","- C208 H248 Cl8 Ni8 O16 P16 -","8","1","","Adhikary, Anubendu; Krause, Jeanette A.; Guan, Hairong","Configurational Stability and Stereochemistry of P-Stereogenic Nickel POCOP-Pincer Complexes","Organometallics","2015","34","14","3603","","10.1021/acs.organomet.5b00402","","","1.54178","CuKα","","0.0429","0.0334","","","0.0832","0.0894","","","","","","1.032","","","","has coordinates","154761","2020-10-21","18:00:00",""
"4086066","8.919","","15.15","","29.221","","90","","90","","90","","3948.43","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","W (C O) (N O) (P (C H3)3)3 (H C O2)","","- C11 H28 N O4 P3 W -","- C11 H28 N O4 P3 W -","- C88 H224 N8 O32 P24 W8 -","8","1","","Hoeck, J.; Amor, J.I.; Jacobsen, H.; Schmalle, H.W.; Artus, G.R.J.; Fox, T.; Baeth, F.; Berke, H.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086067","13.681","","12.6325","","29.4236","","90","","90","","90","","5085.14","","","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","W (C O) (N O) (P (C H3)3)3 ((O C H) Fe (C O)4)","","- C15 H28 Fe N O7 P3 W -","- C15 H28 Fe N O7 P3 W -","- C120 H224 Fe8 N8 O56 P24 W8 -","8","1","","Hoeck, J.; Jacobsen, H.; Fox, T.; Schmalle, H.W.; Artus, G.R.J.; Berke, H.; Baeth, F.; Amor, J.I.","Synthesis and insertion behaviour of carbonylhydridonitrosyltris(trimethylphosphine)tungsten(0)","Organometallics","2001","20","","1533","1544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086127","14.6595","0.0005","16.7453","0.0007","18.1488","0.0007","90","","90","","90","","4455.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 P S Si -","- C26 H25 P S Si -","- C208 H200 P8 S8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0688","0.0424","","","0.0875","0.0976","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086128","14.664","0.002","16.986","0.004","18.343","0.003","90","","90","","90","","4568.9","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 P Se Si -","- C26 H25 P Se Si -","- C208 H200 P8 Se8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0759","0.0485","","","0.1237","0.1357","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086130","14.756","0.003","16.989","0.003","18.406","0.004","90","","90","","90","","4614.2","1.6","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25 O P S Si -","- C26 H25 O P S Si -","- C208 H200 O8 P8 S8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0733","0.0354","","","0.081","0.1114","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086131","14.6073","0.0006","16.9212","0.0007","18.4091","0.0007","90","","90","","90","","4550.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25 O P Se Si -","- C26 H25 O P Se Si -","- C208 H200 O8 P8 Se8 Si8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Sterically Congested 5-Diphenylphosphinoacenaphth-6-yl-silanes and -silanols","Organometallics","2015","34","15","3873","","10.1021/acs.organomet.5b00489","","","0.71073","MoKα","","0.0426","0.0331","","","0.0847","0.0896","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086168","19.103","0.0014","24.4642","0.0017","25.053","0.0019","90","","90","","90","","11708.3","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28.5 H44 Mg N4 Si -","- C28.5 H44 Mg N4 Si -","- C456 H704 Mg16 N64 Si16 -","16","2","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.","New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides","Organometallics","2015","34","13","3196","","10.1021/acs.organomet.5b00248","","","0.71073","MoKα","","0.075","0.0413","","","0.1097","0.1205","","","","","","0.883","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086209","12.274","0.002","17.139","0.003","23.522","0.004","90","","90","","90","","4948.2","1.5","93.15","","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H37 B Cl Ir N2 P2 -","- C20 H37 B Cl Ir N2 P2 -","- C160 H296 B8 Cl8 Ir8 N16 P16 -","8","1","","Tanoue, Keita; Yamashita, Makoto","Synthesis of Pincer Iridium Complexes Bearing a Boron Atom andiPr-Substituted Phosphorus Atoms: Application to Catalytic Transfer Dehydrogenation of Alkanes","Organometallics","2015","34","16","4011","","10.1021/acs.organomet.5b00376","","","0.71075","MoKα","","0.0409","0.0352","","","0.0702","0.0729","","","","","","1.071","","","","has coordinates","154750","2020-10-21","18:00:00",""
"4086217","10.797","0.003","19.139","0.005","22.244","0.005","90","","90","","90","","4597","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Ge N2 O S Si -","- C18 H32 Ge N2 O S Si -","- C144 H256 Ge8 N16 O8 S8 Si8 -","8","1","","Karwasara, Surendar; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan","Aminotroponiminatosilathio- and Siloxygermylenes: Reactivity Comparison","Organometallics","2015","34","13","3246","","10.1021/acs.organomet.5b00286","","","0.71073","MoKα","","0.0678","0.0519","","","0.1134","0.1201","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086224","19.1987","0.0009","12.6735","0.0007","20.0406","0.0012","90","","90","","90","","4876.2","0.5","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H72 N8 S4 Si8 Zn2 -","- C24 H72 N8 S4 Si8 Zn2 -","- C96 H288 N32 S16 Si32 Zn8 -","4","0.5","","Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan","Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes","Organometallics","2015","34","13","3421","","10.1021/acs.organomet.5b00407","","","0.71073","MoKα","","0.0739","0.0371","","","0.0752","0.088","","","","","","1.037","","","","has coordinates,has disorder","154499","2020-10-21","18:00:00",""
"4086282","14.7502","0.0004","16.7058","0.0004","23.0615","0.0005","90","","90","","90","","5682.7","0.2","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C26 H42 Fe N2 O3 Si2 -","- C26 H42 Fe N2 O3 Si2 -","- C208 H336 Fe8 N16 O24 Si16 -","8","1","","Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste","Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides","Organometallics","2015","34","18","4521","","10.1021/acs.organomet.5b00553","","x-ray","0.71073","MoKα","","0.0437","0.0334","","","0.0798","0.0848","","","","","","1.034","","","","has coordinates,has disorder","160434","2020-10-21","18:00:00",""
"4086379","16.705","0.005","17.471","0.005","26.965","0.008","90","","90","","90","","7870","4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C42 H70 Th -","- C42 H70 Th -","- C336 H560 Th8 -","8","1","","Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Steric and Electronic Influences of Internal Alkynes on the Formation of Thorium Metallacycles: A Combined Experimental and Computational Study","Organometallics","2016","","","","","10.1021/acs.organomet.5b00945","","","0.71073","MoKα","","0.0537","0.0347","","","0.0712","0.0781","","","","","","1.031","","","","has coordinates","173447","2020-10-21","18:00:00",""
"4086442","19.6723","0.0019","11.5289","0.0011","24.095","0.002","90","","90","","90","","5464.7","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H32 Cl2 O6 Os -","- C28 H32 Cl2 O6 Os -","- C224 H256 Cl16 O48 Os8 -","8","1","","Agonigi, Gabriele; Riedel, Tina; Gay, M. Pilar; Biancalana, Lorenzo; Oñate, Enrique; Dyson, Paul J.; Pampaloni, Guido; Păunescu, Emilia; Esteruelas, Miguel A.; Marchetti, Fabio","Arene Osmium Complexes with Ethacrynic Acid-Modified Ligands: Synthesis, Characterization, and Evaluation of Intracellular GlutathioneS-Transferase Inhibition and Antiproliferative Activity","Organometallics","2016","35","7","1046","","10.1021/acs.organomet.6b00197","","","0.71073","MoKα","","0.059","0.0299","","","0.0547","0.0621","","","","","","1.011","","","","has coordinates","182511","2020-10-21","18:00:00",""
"4086463","16.8649","0.0014","15.3436","0.0013","19.7758","0.0017","90","","90","","90","","5117.3","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-complex","","- C27 H40 Mo N2 O -","- C27 H40 Mo N2 O -","- C216 H320 Mo8 N16 O8 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0232","0.0199","","","0.0458","0.0471","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086464","16.5102","0.0014","15.967","0.0014","16.7203","0.0015","90","","90","","90","","4407.8","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-cluster JPR-5-34","","- C22 H38 Mo N2 O2 -","- C22 H38 Mo N2 O2 -","- C176 H304 Mo8 N16 O16 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0233","0.0204","","","0.0435","0.0444","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086465","16.53","0.0018","16.7134","0.0018","16.7288","0.0018","90","","90","","90","","4621.7","0.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-complex JPR-5-57","","- C23 H38 Mo N2 O3 -","- C23 H38 Mo N2 O3 -","- C184 H304 Mo8 N16 O24 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0272","0.0225","","","0.0475","0.0491","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086467","10.3802","0.0004","15.4178","0.0006","30.7393","0.0013","90","","90","","90","","4919.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","W-complex","","- C26 H42 N2 O W -","- C26 H42 N2 O W -","- C208 H336 N16 O8 W8 -","8","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0322","0.0217","","","0.0459","0.0498","","","","","","1.02","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086497","19.9684","0.0016","16.7745","0.0014","22.8246","0.0019","90","","90","","90","","7645.3","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H62 N2 Si6 Yb -","- C25 H62 N2 Si6 Yb -","- C200 H496 N16 Si48 Yb8 -","8","1","","Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Homoleptic Divalent Dialkyl Lanthanide-Catalyzed Cross-Dehydrocoupling of Silanes and Amines","Organometallics","2016","35","11","1674","","10.1021/acs.organomet.6b00138","","","0.71073","MoKα","","0.0421","0.0271","","","0.0601","0.0679","","","","","","1.033","","","","has coordinates","183603","2020-10-21","18:00:00",""
"4086506","13.2951","0.0004","14.1131","0.0004","20.4113","0.0005","90","","90","","90","","3829.88","0.18","290.6","0.4","290.6","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H28 O3 Si -","- C19 H28 O3 Si -","- C152 H224 O24 Si8 -","8","1","","Liu, Yang; Yang, Yudong; Shi, Yang; Wang, Xiaojie; Zhang, Luoqiang; Cheng, Yangyang; You, Jingsong","Rhodium-Catalyzed Oxidative Coupling of Benzoic Acids with Terminal Alkynes: An Efficient Access to 3-Ylidenephthalides","Organometallics","2016","35","10","1350","","10.1021/acs.organomet.6b00107","","x-ray","1.54184","CuKα","","0.0817","0.0758","","","0.1957","0.2061","","","","","","1.063","","","","has coordinates","183286","2020-10-21","18:00:00",""
"4086543","12.8061","0.0006","11.8486","0.0005","16.9221","0.0008","90","","90","","90","","2567.7","0.2","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br Co F6 P -","- C10 H9 Br Co F6 P -","- C80 H72 Br8 Co8 F48 P8 -","8","1","","Vanicek, Stefan; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Hassenrück, Christopher; Winter, Rainer F.; Bildstein, Benno","Monofunctionalized Cobaltocenium Compounds by Dediazoniation Reactions of Cobaltoceniumdiazonium Bis(hexafluorophosphate)","Organometallics","2016","35","12","2101","","10.1021/acs.organomet.6b00329","","","0.71073","MoKα","","0.0331","0.0268","","","0.0668","0.07","","","","","","1.036","","","","has coordinates","184942","2020-10-21","18:00:00",""
"4086580","17.6236","0.0015","20.241","0.0017","24.665","0.002","90","","90","","90","","8798.5","1.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H60 Be N2 P2 -","- C51 H60 Be N2 P2 -","- C408 H480 Be8 N16 P16 -","8","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes","Organometallics","2016","35","14","2378","","10.1021/acs.organomet.6b00380","","","0.71073","MoKα","","0.0776","0.0527","","","0.1399","0.15","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086581","19.0777","0.0016","17.7914","0.0014","20.5506","0.0017","90","","90","","90","","6975.3","1","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H40 Be2 N2 P2 -","- C41 H40 Be2 N2 P2 -","- C328 H320 Be16 N16 P16 -","8","1","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Synthesis and Structure of Bis(diphenylphosphinimino)methanide and Bis(diphenylphosphinimino)methanediide Beryllium Complexes","Organometallics","2016","35","14","2378","","10.1021/acs.organomet.6b00380","","","0.71073","MoKα","","0.121","0.0476","","","0.0976","0.1286","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4086643","22.239","0.009","21.009","0.007","25.246","0.008","90","","90","","90","","11795","7","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H41 N2 O0.5 Pd -","- C32 H41 N2 O0.5 Pd -","- C512 H656 N32 O8 Pd16 -","16","2","","Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond","Organometallics","2016","35","16","2645","","10.1021/acs.organomet.6b00387","","","0.71073","MoKα","","0.0866","0.054","","","0.1141","0.1305","","","","","","1.037","","","","has coordinates,has disorder","186259","2020-10-21","18:00:00",""
"4086662","20.2137","0.0006","14.9538","0.0004","32.5624","0.0009","90","","90","","90","","9842.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H56 B2 I2 N8 Th -","- C48 H56 B2 I2 N8 Th -","- C384 H448 B16 I16 N64 Th8 -","8","1","","Garner, Mary E.; Hohloch, Stephan; Maron, Laurent; Arnold, John","A New Supporting Ligand in Actinide Chemistry Leads to Reactive Bis(NHC)borate-Supported Thorium Complexes","Organometallics","2016","35","17","2915","","10.1021/acs.organomet.6b00467","","","0.71073","MoKα","","0.0545","0.0397","","","0.0916","0.0983","","","","","","1.047","","","","has coordinates","186962","2020-10-21","18:00:00",""
"4086708","13.7133","0.0009","22.137","0.003","24.341","0.002","90","","90","","90","","7389.2","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 F3 N7 O5 Pd -","- C34 H38 F3 N7 O5 Pd -","- C272 H304 F24 N56 O40 Pd8 -","8","1","","Agarwal, Pallavi; Thirupathi, Natesan; Nethaji, Munirathinam","Syntheses, Structural Aspects, Solution Behavior, and Catalytic Utility of CyclopalladatedN,N′,N″-Triarylguanidines [κ2(C,N))Pd(Pyrazole)2X] (X = Br, OC(O)CF3, and PF6) in Suzuki‒Miyaura Coupling Reactions of Aryl Bromides","Organometallics","2016","35","18","3112","","10.1021/acs.organomet.6b00442","","","0.71073","MoKα","","0.0884","0.0642","","","0.1383","0.15","","","","","","1.099","","","","has coordinates","186936","2020-10-21","18:00:00",""
"4086729","15.033","0.002","14.892","0.002","25.247","0.004","90","","90","","90","","5652.1","1.4","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H49 N Zr -","- C31 H49 N Zr -","- C248 H392 N8 Zr8 -","8","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J.","Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO","Organometallics","2016","35","18","3163","","10.1021/acs.organomet.6b00522","","","0.71073","MoKα","","0.0557","0.0353","","","0.0776","0.0872","","","","","","1.019","","","","has coordinates,has disorder","186947","2020-10-21","18:00:00",""
"4086783","18.121","0.004","14.703","0.003","20.717","0.005","90","","90","","90","","5520","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H23 F6 P -","- C33 H23 F6 P -","- C264 H184 F48 P8 -","8","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.1361","0.0909","","","0.1331","0.1491","","","","","","1.193","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086815","8.30541","0.00006","24.67353","0.00018","38.1106","0.0003","90","","90","","90","","7809.77","0.1","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H21 N Si -","- C26 H21 N Si -","- C416 H336 N16 Si16 -","16","2","","Omann, Lukas; Oestreich, Martin","Catalytic Access to Indole-Fused Benzosiloles by 2-Fold Electrophilic C‒H Silylation with Dihydrosilanes","Organometallics","2016","36","4","767","","10.1021/acs.organomet.6b00801","","x-ray","1.54184","CuKα","","0.0366","0.0325","","","0.0848","0.0884","","","","","","1.029","","","","has coordinates","193613","2020-10-21","18:00:00",""
"4086845","13.3411","0.0002","17.9771","0.0003","19.2094","0.0003","90","","90","","90","","4607.07","0.13","85","2","85","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H18 B F3 N6 Ni O2 -","- C23 H18 B F3 N6 Ni O2 -","- C184 H144 B8 F24 N48 Ni8 O16 -","8","1","","Meucci, Elizabeth A.; Camasso, Nicole M.; Sanford, Melanie S.","An Organometalllic NiIV Complex That Participates in Competing Transmetalation and C(sp2)‒O Bond-Forming Reductive Elimination Reactions","Organometallics","2017","36","2","247","","10.1021/acs.organomet.6b00810","","","1.54184","CuKα","","0.0948","0.0885","","","0.2591","0.2707","","","","","","1.104","","","","has coordinates,has disorder","191365","2020-10-21","18:00:00",""
"4086903","14.2771","0.0004","19.1875","0.0005","20.5221","0.0006","90","","90","","90","","5621.9","0.3","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H96 Be2 N4 O2 -","- C62 H96 Be2 N4 O2 -","- C248 H384 Be8 N16 O8 -","4","0.5","","Bayram, Melike; Naglav, Dominik; Wölper, Christoph; Schulz, Stephan","Syntheses and Structures of Homo- and Heteroleptic Beryllium Complexes Containing N,N′-Chelating Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.6b00865","","","0.71073","MoKα","","0.0996","0.0571","","","0.1321","0.1607","","","","","","1.027","","","","has coordinates","189915","2020-10-21","18:00:00",""
"4086928","12.3387","0.0011","12.6566","0.0011","22.518","0.002","90","","90","","90","","3516.5","0.5","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","sjfbk56","","","- C16 H21 Cl N2 O4 Si -","- C16 H21 Cl N2 O4 Si -","- C128 H168 Cl8 N16 O32 Si8 -","8","1","","Koch, James G.; Brennessel, William W.; Kraft, Bradley M.","Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone","Organometallics","2017","36","3","594","","10.1021/acs.organomet.6b00796","","","0.71073","MoKα","","0.0839","0.0522","","","0.1257","0.1426","","","","","","1.031","","","","has coordinates,has disorder","193616","2020-10-21","18:00:00",""
"4086979","14.187","0.002","17.603","0.003","18.327","0.003","90","","90","","90","","4576.9","1.3","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H21.65 B N6 O1.32 -","- C28 H21.648 B N6 O1.324 -","- C224 H173.184 B8 N48 O10.592 -","8","1","","Wang, Zikuan; Fu, Xuefeng","Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate","Organometallics","2017","36","2","285","","10.1021/acs.organomet.6b00754","","","0.71073","MoKα","","0.0637","0.0593","","","0.1431","0.1463","","","","","","1.153","","","","has coordinates","191285","2020-10-21","18:00:00",""
"4087004","14.6602","0.0004","20.0564","0.0007","21.1865","0.0008","90","","90","","90","","6229.5","0.4","150.05","0.1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 F O P2 Rh -","- C33 H44 F O P2 Rh -","- C264 H352 F8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","x-ray","0.71073","MoKα","","0.1199","0.0532","","","0.0841","0.1084","","","","","","1.027","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087005","14.7544","0.0011","19.8932","0.0016","21.5065","0.0017","90","","90","","90","","6312.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 Cl O P2 Rh -","- C33 H44 Cl O P2 Rh -","- C264 H352 Cl8 O8 P16 Rh8 -","8","1","","Curto, Sheila G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Vélez, Andrea","Selective C‒Cl Bond Oxidative Addition of Chloroarenes to a POP‒Rhodium Complex","Organometallics","2017","36","1","114","","10.1021/acs.organomet.6b00615","","","0.71073","MoKα","","0.0885","0.0479","","","0.081","0.0948","","","","","","1.037","","","","has coordinates","191293","2020-10-21","18:00:00",""
"4087152","17.0851","0.0007","18.5952","0.0008","23.7353","0.0011","90","","90","","90","","7540.7","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H52 P2 Pt Si -","- C42 H52 P2 Pt Si -","- C336 H416 P16 Pt8 Si8 -","8","1","","Barrett, Brittany J.; Iluc, Vlad M.","An Adaptable Chelating Diphosphine Ligand for the Stabilization of Palladium and Platinum Carbenes","Organometallics","2017","36","3","730","","10.1021/acs.organomet.6b00924","","","0.71073","MoKα","","0.0729","0.0348","","","0.0606","0.0672","","","","","","1.017","","","","has coordinates,has disorder","193345","2020-10-21","18:00:00",""
"4087170","19.31","0.02","17.619","0.014","24.71","0.02","90","","90","","90","","8407","13","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.33 H73.33 B1.33 K1.33 N4 O8 -","- C57.3333 H73.3333 B1.33333 K1.33333 N4 O8 -","- C344 H440 B8 K8 N24 O48 -","6","0.75","","Morgan, Matthew M.; Patrick, Evan A.; Rautiainen, J. Mikko; Tuononen, Heikki M.; Piers, Warren E.; Spasyuk, Denis M.","Zirconocene-Based Methods for the Preparation of BN-Indenes: Application to the Synthesis of 1,5-Dibora-4a,8a-diaza-1,2,3,5,6,7-hexaaryl-4,8-dimethyl-s-indacenes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00051","","","1.54178","CuKα","","0.0786","0.0612","","","0.1614","0.1776","","","","","","1.027","","","","has coordinates","194105","2020-10-21","18:00:00",""
"4087192","16.6645","0.0011","16.9683","0.0011","20.0404","0.0014","90","","90","","90","","5666.8","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H38 N4 Ni O2 -","- C33 H38 N4 Ni O2 -","- C264 H304 N32 Ni8 O16 -","8","1","","Henrion, Mickaël; de P. Cardoso, Bernardo; César, Vincent; Chetcuti, Michael J.; Ritleng, Vincent","Nickel(II) Complexes of Highly σ-Donating Cyclic (Alkyl)(Amino)- and Malonate-Carbenes: Syntheses and Catalytic Studies","Organometallics","2017","36","6","1113","","10.1021/acs.organomet.6b00906","","","0.71073","MoKα","","0.0938","0.0406","","","0.0842","0.1006","","","","","","0.999","","","","has coordinates","194656","2020-10-21","18:00:00",""
"4087193","13.48","0.003","7.92","0.0016","29.4","0.006","90","","90","","90","","3138.8","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Cl2 N3 Pd -","- C13 H19 Cl2 N3 Pd -","- C104 H152 Cl16 N24 Pd8 -","8","1","","Astakhov, Alexander V.; Khazipov, Oleg V.; Chernenko, Andrey Yu.; Pasyukov, Dmitry V.; Kashin, Alexey S.; Gordeev, Evgeniy G.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","A New Mode of Operation of Pd-NHC Systems Studied in a Catalytic Mizoroki‒Heck Reaction","Organometallics","2017","36","10","1981","","10.1021/acs.organomet.7b00184","","","0.9699","synchrotron","","0.0834","0.0674","","","0.1442","0.1565","","","","","","1.004","","","","has coordinates","197473","2020-10-21","18:00:00",""
"4087280","11.464","0.002","10.836","0.002","17.821","0.004","90","","90","","90","","2213.8","0.8","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Cu2 N4 -","- C20 H34 Cu2 N4 -","- C80 H136 Cu8 N16 -","4","0.5","","Beh, Eugene S.; Tong, Liuchuan; Gordon, Roy G.","Synthesis of 5,5-Bicyclic Amidines as Ligands for Thermally Stable Vapor Deposition Precursors","Organometallics","2017","36","8","1453","","10.1021/acs.organomet.6b00954","","","0.71073","MoKα","","0.0424","0.0402","","","0.1059","0.1075","","","","","","1.038","","","","has coordinates","196043","2020-10-21","18:00:00",""
"4087325","15.7561","0.0009","15.8387","0.0009","18.7715","0.001","90","","90","","90","","4684.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl N Ni -","- C24 H38 Cl N Ni -","- C192 H304 Cl8 N8 Ni8 -","8","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0532","0.0353","","","0.0775","0.0869","","","","","","1.038","","","","has coordinates,has disorder","196053","2020-10-21","18:00:00",""
"4087328","12.812","0.004","23.795","0.008","31.24","0.02","90","","90","","90","","9524","8","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moris456 (Tapas)","","","- C35 H74 N6 Si6 U -","- C35 H74 N6 Si6 U -","- C280 H592 N48 Si48 U8 -","8","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0538","0.0338","","","0.0802","0.0902","","","","","","1.054","","","","has coordinates","196055","2020-10-21","18:00:00",""
"4087330","12.838","0.005","24.04","0.02","31.291","0.011","90","","90","","90","","9657","9","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Moris480 (Tapas)","","","- C35 H74 N6 Si6 Th -","- C35 H74 N6 Si6 Th -","- C280 H592 N48 Si48 Th8 -","8","1","","Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Actinide Complexes Possessing Six-Membered N-Heterocyclic Iminato Moieties: Synthesis and Reactivity","Organometallics","2017","36","7","1296","","10.1021/acs.organomet.7b00037","","","0.71073","MoKα","","0.0604","0.038","","","0.0908","0.1025","","","","","","1.034","","","","has coordinates","196057","2020-10-21","18:00:00",""
"4087348","8.0329","0.0003","19.9615","0.0007","26.0925","0.0009","90","","90","","90","","4183.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 S2 Zr -","- C21 H23 N3 S2 Zr -","- C168 H184 N24 S16 Zr8 -","8","1","","Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E.","Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes.","Organometallics","2012","31","","7492","7499","10.1021/om300789h","","","0.71073","MoKα","","0.0494","0.0318","","","0.049","0.0499","","","","","","2.099","","","","has coordinates","201975","2020-10-21","18:00:00",""
"4087357","9.5643","0.0014","21.986","0.007","31.851","0.005","90","","90","","90","","6698","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B20 I2 -","- C21 H34 B20 I2 -","- C168 H272 B160 I16 -","8","1","","Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor","Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage","Organometallics","2015","34","5","967","","10.1021/acs.organomet.5b00002","","","0.71073","MoKα","","0.08","0.0381","","","0.0621","0.0663","","","","","","0.837","","","","has coordinates,has disorder","236754","2020-10-21","18:00:00",""
"4087453","8.5651","0.0006","17.4019","0.0011","34.669","0.002","90","","90","","90","","5167.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 F3 N2 Se -","- C14 H9 F3 N2 Se -","- C224 H144 F48 N32 Se16 -","16","2","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0859","0.0437","","","0.074","0.088","","","","","","1.025","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087508","15.625","0.002","16.806","0.002","20.814","0.003","90","","90","","90","","5465.6","1.2","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonlm10","(dippe)Pd(SPh)2 / (dippe)Pd(SPh)(C(=O)Ph)","","- C26.88 H40.88 O0.88 P2 Pd S1.12 -","- C26.8833 H40.8833 O0.8833 P2 Pd S1.1167 -","- C215.066 H327.066 O7.0664 P16 Pd8 S8.9336 -","8","1","","Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Room-Temperature Carbon‒Sulfur Bond Activation by a Reactive (dippe)Pd Fragment","Organometallics","2015","34","9","1716","","10.1021/acs.organomet.5b00194","","","0.71073","MoKα","","0.073","0.0395","","","0.0818","0.0949","","","","","","1.018","","","","has coordinates,has disorder","236824","2020-10-21","18:00:00",""
"4087551","8.7522","0.0003","20.3175","0.0006","33.7301","0.001","90","","90","","90","","5998","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","8","P b c a","-P 2ac 2ab","61","","","","- C23 H36 F3 N Ni O7 P2 S -","- C23 H36 F3 N Ni O7 P2 S -","- C184 H288 F24 N8 Ni8 O56 P16 S8 -","8","1","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0326","0.0315","","","0.0895","0.0906","","","","","","1.049","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087593","17.341","0.001","10.787","0.001","17.672","0.001","90","","90","","90","","3305.7","0.4","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 Pd -","- C18 H24 N2 Pd -","- C144 H192 N16 Pd8 -","8","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71069","MoKα","","0.0641","0.0427","","","0.0788","0.0906","","","","","","1.112","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087594","11.0329","0.0004","17.2348","0.0011","17.9562","0.001","90","","90","","90","","3414.4","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F2 N2 Pd -","- C18 H22 F2 N2 Pd -","- C144 H176 F16 N16 Pd8 -","8","1","","Werlé, Christophe; Karmazin, Lydia; Bailly, Corinne; Ricard, Louis; Djukic, Jean-Pierre","Stabilization of an Electron-Unsaturated Pd(I)‒Pd(I) Unit by Double Hemichelation","Organometallics","2015","34","12","3055","","10.1021/acs.organomet.5b00349","","","0.71073","MoKα","","0.0839","0.0465","","","0.0751","0.0839","","","","","","1.112","","","","has coordinates","236863","2020-10-21","18:00:00",""
"4087607","17.9224","0.001","24.6821","0.0012","31.866","0.0016","90","","90","","90","","14096.3","1.3","90","","90","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65.04 H66.09 B Cl2 F24 Ir N3 O3.02 P -","- C65.036 H66.09 B Cl2 F24 Ir N3 O3.018 P -","- C520.288 H528.72 B8 Cl16 F192 Ir8 N24 O24.144 P8 -","8","1","","Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.","Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]","Organometallics","2015","34","15","3849","","10.1021/acs.organomet.5b00397","","","0.71073","MoKα","","0.0991","0.0499","","","0.0939","0.1113","","","","","","1.028","","","","has coordinates,has disorder","236869","2020-10-21","18:00:00",""
"4087623","16.6453","0.0013","18.6334","0.0015","23.6385","0.0019","90","","90","","90","","7331.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40.5 H52 O2.5 Os P2 -","- C40.5 H52 O2.5 Os P2 -","- C324 H416 O20 Os8 P16 -","8","1","","Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim","C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes","Organometallics","2015","34","20","4908","","10.1021/acs.organomet.5b00416","","","0.71073","MoKα","","0.0853","0.0541","","","0.0831","0.0919","","","","","","1.131","","","","has coordinates","236886","2020-10-21","18:00:00",""
"4087629","16.723","0.006","16.459","0.006","21.16","0.007","90","","90","","90","","5824","4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H49 Cl N2 O3 Os P2 -","- C24 H49 Cl N2 O3 Os P2 -","- C192 H392 Cl8 N16 O24 Os8 P16 -","8","1","","Bolaño, Tamara; Esteruelas, Miguel A.; Gay, M. Pilar; Oñate, Enrique; Pastor, Isidro M.; Yus, Miguel","An Acyl-NHC Osmium Cooperative System: Coordination of Small Molecules and Heterolytic B‒H and O‒H Bond Activation","Organometallics","2015","34","15","3902","","10.1021/acs.organomet.5b00418","","","0.71073","MoKα","","0.1372","0.0564","","","0.0972","0.1157","","","","","","0.974","","","","has coordinates","236888","2020-10-21","18:00:00",""
"4087695","15.5428","0.0016","18.4081","0.0019","23.353","0.002","90","","90","","90","","6681.6","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H35 Co N2 O -","- C45 H35 Co N2 O -","- C360 H280 Co8 N16 O8 -","8","1","","Singh, Jatinder; Deb, Mayukh; Elias, Anil J.","Palladacycles Based on 8-Aminoquinoline Carboxamides of Cobalt and Iron Sandwich Compounds and a New Method to α-Alkylate Cp Rings of Metal Sandwich Carboxamides","Organometallics","2015","34","20","4946","","10.1021/acs.organomet.5b00504","","","0.71073","MoKα","","0.0963","0.0866","","","0.1645","0.1687","","","","","","1.348","","","","has coordinates","236924","2020-10-21","18:00:00",""
"4087696","13.4488","0.0009","21.3636","0.0015","24.1495","0.0016","90","","90","","90","","6938.5","0.8","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H42 B Mo N9 O4 -","- C32 H42 B Mo N9 O4 -","- C256 H336 B8 Mo8 N72 O32 -","8","1","","Myers, Jeffery T.; Shivokevich, Philip J.; Pienkos, Jared A.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Synthesis of 2-Substituted 1,2-Dihydronaphthalenes and 1,2-Dihydroanthracenes Using a Recyclable Molybdenum Dearomatization Agent","Organometallics","2015","34","14","3648","","10.1021/acs.organomet.5b00509","","","0.71073","MoKα","","0.0534","0.0379","","","0.0959","0.1072","","","","","","1.054","","","","has coordinates","236926","2020-10-21","18:00:00",""
"4087831","16.5372","0.0008","17.6547","0.0009","21.0898","0.0011","90","","90","","90","","6157.4","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H28 F18 Mo N2 O3 -","- C24 H28 F18 Mo N2 O3 -","- C192 H224 F144 Mo8 N16 O24 -","8","1","","Jeong, Hyangsoo; Schrock, Richard R.; Müller, Peter","Synthesis of Molybdenum and Tungsten Alkylidene Complexes that Contain atert-Butylimido Ligand","Organometallics","2015","34","17","4408","","10.1021/acs.organomet.5b00633","","","0.71073","MoKα","","0.0314","0.0249","","","0.0593","0.0627","","","","","","1.038","","","","has coordinates,has disorder","237038","2020-10-21","18:00:00",""
"4087846","11.2159","0.0015","16.256","0.002","19.033","0.002","90","","90","","90","","3470.2","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Br Ge N2 S -","- C15 H23 Br Ge N2 S -","- C120 H184 Br8 Ge8 N16 S8 -","8","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0363","0.0289","","","0.0669","0.0692","","","","","","1.046","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087847","11.2999","0.0015","16.175","0.002","19.365","0.003","90","","90","","90","","3539.5","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H23 Br Ge N2 Se -","- C15 H23 Br Ge N2 Se -","- C120 H184 Br8 Ge8 N16 Se8 -","8","1","","Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)","Organometallics","2016","35","4","429","","10.1021/acs.organomet.5b00643","","","0.71073","MoKα","","0.0348","0.0294","","","0.0722","0.0744","","","","","","1.083","","","","has coordinates","237045","2020-10-21","18:00:00",""
"4087918","14.625","0.0002","12.4336","0.0002","32.2369","0.0006","90","","90","","90","","5862","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","DS-84","","- C27 H17 Mo2 N2 O10 P -","- C27 H17 Mo2 N2 O10 P -","- C216 H136 Mo16 N16 O80 P8 -","8","1","","Ruiz, Javier; Mesa, Alejandro F.; Sol, Daniel","1,3-Dimethyl-4-(diphenylphosphino)imidazolium Triflate: A Functionalized Ionic Liquid with Ambivalent Coordination Capability","Organometallics","2015","34","20","5129","","10.1021/acs.organomet.5b00722","","x-ray","0.71073","MoKα","","0.0563","0.0331","","","0.06","0.0665","","","","","","1.03","","","","has coordinates","237121","2020-10-21","18:00:00",""
"4087925","10.9373","0.0003","16.5377","0.0004","48.5989","0.0012","90","","90","","90","","8790.5","0.4","123","","123","","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C29 H39 F18 Fe N14 P3 -","- C29 H39 F18 Fe N14 P3 -","- C232 H312 F144 Fe8 N112 P24 -","8","1","","Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E.","NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes","Organometallics","2015","34","20","5155","","10.1021/acs.organomet.5b00732","","x-ray","0.71073","MoKα","","0.068","0.0481","","","0.1103","0.1192","","","","","","1.04","","","","has coordinates,has disorder","237127","2020-10-21","18:00:00",""
"4087952","9.3472","0.0004","19.7677","0.0006","25.5026","0.001","90","","90","","90","","4712.2","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H31 Cl2 Fe N3 O Pt S -","- C19 H31 Cl2 Fe N3 O Pt S -","- C152 H248 Cl16 Fe8 N24 O8 Pt8 S8 -","8","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","MoKα","","0.0619","0.039","","","0.1173","0.1429","","","","","","1.033","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087954","11.8436","0.0003","13.4194","0.0004","28.6467","0.0008","90","","90","","90","","4552.9","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","D30F1","","","- C23 H29 Cl Fe N3 Pt0.5 -","- C23 H29 Cl Fe N3 Pt0.5 -","- C184 H232 Cl8 Fe8 N24 Pt4 -","8","1","","Nieto, Daniel; Bruña, Sonia; González-Vadillo, Ana M; Perles, Josefina; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Padrón, José M.; Plata, Gabriela B.; Cuadrado, Isabel","Catalytically Generated Ferrocene-Containing Guanidines as Efficient Precursors for New Redox-Active Heterometallic Platinum(II) Complexes with Anticancer Activity","Organometallics","2015","34","22","5407","","10.1021/acs.organomet.5b00751","","","0.71073","","","0.076","0.043","","","0.1249","0.1726","","","","","","1","","","","has coordinates","237155","2020-10-21","18:00:00",""
"4087973","20.69","0.002","20.374","0.002","40.538","0.003","90","","90","","90","","17088","3","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C103 H108 Fe2 P4 -","- C103 H108 Fe2 P4 -","- C824 H864 Fe16 P32 -","8","1","","Malvolti, Floriane; Rouxel, Cédric; Triadon, Amédée; Grelaud, Guillaume; Richy, Nicolas; Mongin, Olivier; Blanchard-Desce, Mireille; Toupet, Loic; Razak, Fazira I. Abdul; Stranger, Robert; Samoc, Marek; Yang, Xinwei; Wang, Genmiao; Barlow, Adam; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric","2,7-Fluorenediyl-Bridged Complexes Containing Electroactive “Fe(η5-C5Me5)(κ2-dppe)C≡C‒” End Groups: Molecular Wires and Remarkable Nonlinear Electrochromes","Organometallics","2015","34","22","5418","","10.1021/acs.organomet.5b00769","","","0.71073","MoKα","","0.1688","0.064","","","0.1128","0.1275","","","","","","0.991","","","","has coordinates,has disorder","237165","2020-10-21","18:00:00",""
"4087981","18.478","0.0003","17.5211","0.0003","29.6613","0.0005","90","","90","","90","","9603","0.3","150","2","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H59 Cr N4 O5 P Si -","- C48 H59 Cr N4 O5 P Si -","- C384 H472 Cr8 N32 O40 P8 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes","Organometallics","2015","34","24","5703","","10.1021/acs.organomet.5b00772","","x-ray","1.54184","CuKα","","0.0804","0.0533","","","0.1267","0.1451","","","","","","1.02","","","","has coordinates","237170","2020-10-21","18:00:00",""
"4087988","9.7033","0.0002","15.36","0.0004","32.1835","0.0006","90","","90","","90","","4796.72","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H26 B Ir N6 O6 -","- C21 H26 B Ir N6 O6 -","- C168 H208 B8 Ir8 N48 O48 -","8","1","","Vivancos, Ángela; Rendón, Nuria; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Reactivity of a Tp‒Iridacyclopentene Complex","Organometallics","2015","34","22","5438","","10.1021/acs.organomet.5b00775","","","0.71073","MoKα","","0.0262","0.0199","","","0.0413","0.0428","","","","","","1.033","","","","has coordinates","237177","2020-10-21","18:00:00",""
"4088007","20.1943","0.0015","11.2274","0.0009","22.5064","0.0018","90","","90","","90","","5102.9","0.7","130","","130","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H29 N O5 -","- C32 H29 N O5 -","- C256 H232 N8 O40 -","8","1","","Xiong, Meijun; Yu, Shasha; Xie, Xin; Li, Shi; Liu, Yuanhong","Reactions of Zirconocene‒1-Aza-1,3-diene Complexes with Acyl Cyanides: Substrate-Dependent Synthesis of Acyl- or Non-Acyl-Substituted Pyrroles","Organometallics","2015","34","23","5597","","10.1021/acs.organomet.5b00801","","","0.71073","MoKα","","0.0931","0.0524","","","0.1292","0.1601","","","","","","0.991","","","","has coordinates","237195","2020-10-21","18:00:00",""
"4088014","7.8798","0.0002","14.6553","0.0003","32.3149","0.0007","90","","90","","90","","3731.75","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Cl N6 Rh -","- C19 H22 Cl N6 Rh -","- C152 H176 Cl8 N48 Rh8 -","8","1","","Buck, Dominik M.; Kunz, Doris","Triazine Annelated NHC Featuring Unprecedented Coordination Versatility","Organometallics","2015","34","21","5335","","10.1021/acs.organomet.5b00805","","","0.71073","MoKα","","0.0364","0.0308","","","0.0695","0.0718","","","","","","1.083","","","","has coordinates,has disorder","237210","2020-10-21","18:00:00",""
"4088059","13.0931","0.0001","17.5197","0.0002","19.1187","0.0002","90","","90","","90","","4385.58","0.08","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H32 Au Cl Ge N2 -","- C19 H32 Au Cl Ge N2 -","- C152 H256 Au8 Cl8 Ge8 N16 -","8","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Amidinatogermylene Complexes of Copper, Silver, and Gold","Organometallics","2015","34","22","5479","","10.1021/acs.organomet.5b00828","","","1.5418","CuKα","","0.0301","0.0275","","","0.0713","0.0741","","","","","","1.059","","","","has coordinates","237235","2020-10-21","18:00:00",""
"4088080","17.0888","0.001","14.3626","0.0009","17.989","0.0011","90","","90","","90","","4415.2","0.5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Sm -","- C18 H39 Al2 Sm -","- C144 H312 Al16 Sm8 -","8","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0314","0.0259","","","0.0669","0.0722","","","","","","1.088","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088081","17.1013","0.0007","14.272","0.0006","17.9024","0.0008","90","","90","","90","","4369.4","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 Al2 Yb -","- C18 H39 Al2 Yb -","- C144 H312 Al16 Yb8 -","8","1","","Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner","Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes","Organometallics","2015","34","24","5734","","10.1021/acs.organomet.5b00837","","","0.71073","MoKα","","0.0234","0.0195","","","0.0508","0.0536","","","","","","1.055","","","","has coordinates","237248","2020-10-21","18:00:00",""
"4088125","20.0217","0.0008","7.7798","0.0002","24.5606","0.0008","90","","90","","90","","3825.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Chlorido(5,7-dibromo-8-quinolinolato-?N1,?O8)(?6-p-cymene)ruthenium(II)","","- C19 H18 Br2 Cl N O Ru -","- C19 H18 Br2 Cl N O Ru -","- C152 H144 Br16 Cl8 N8 O8 Ru8 -","8","1","","Kubanik, Mario; Holtkamp, Hannah; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Impact of the Halogen Substitution Pattern on the Biological Activity of Organoruthenium 8-Hydroxyquinoline Anticancer Agents","Organometallics","2015","34","23","5658","","10.1021/acs.organomet.5b00868","","","0.71073","MoKα","","0.147","0.0978","","","0.214","0.2366","","","","","","1.096","","","","has coordinates","237298","2020-10-21","18:00:00",""
"4088157","11.9955","0.0007","19.6035","0.0011","26.1547","0.0015","90","","90","","90","","6150.4","0.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0538","0.0469","","","0.0956","0.0987","","","","","","1.297","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088158","12.0625","0.0004","19.635","0.0007","26.2605","0.0009","90","","90","","90","","6219.7","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H44 Fe I2 P2 Pd -","- C26 H44 Fe I2 P2 Pd -","- C208 H352 Fe8 I16 P16 Pd8 -","8","1","","Blass, Brittany L.; Hernández Sánchez, Raúl; Decker, Victoria A.; Robinson, Michael J.; Piro, Nicholas A.; Kassel, W. Scott; Diaconescu, Paula L.; Nataro, Chip","Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds","Organometallics","2016","35","4","462","","10.1021/acs.organomet.5b00889","","","0.71073","MoKα","","0.0527","0.0384","","","0.0841","0.0925","","","","","","1.109","","","","has coordinates","237319","2020-10-21","18:00:00",""
"4088171","12.109","0.0003","23.1668","0.0006","25.8891","0.0007","90","","90","","90","","7262.6","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H31 Br F4 P2 Pd -","- C42 H31 Br F4 P2 Pd -","- C336 H248 Br8 F32 P16 Pd8 -","8","1","","Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas","C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands","Organometallics","2016","35","5","629","","10.1021/acs.organomet.5b00904","","x-ray","0.71073","MoKα","K-L~3~","0.0554","0.0363","","","","0.1199","","","","","","1.023","","","","has coordinates,has disorder","237332","2020-10-21","18:00:00",""
"4088223","19.0107","0.0006","17.5446","0.0005","21.335","0.0008","90","","90","","90","","7116","0.4","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H40 Co I N2 P3 Si -","- C36 H40 Co I N2 P3 Si -","- C288 H320 Co8 I8 N16 P24 Si8 -","8","1","","Xiong, Zichang; Li, Xiaoyan; Zhang, Shumiao; Shi, Yaomin; Sun, Hongjian","Synthesis and Reactivity of N-Heterocyclic PSiP Pincer Iron and Cobalt Complexes and Catalytic Application of Cobalt Hydride in Kumada Coupling Reactions","Organometallics","2016","35","3","357","","10.1021/acs.organomet.5b00937","","","0.71073","MoKα","","0.0634","0.0367","","","0.0729","0.0797","","","","","","0.91","","","","has coordinates","237394","2020-10-21","18:00:00",""
"4088227","18.9445","0.001","16.9108","0.0009","19.7306","0.001","90","","90","","90","","6321","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H51 N9 U -","- C31 H51 N9 U -","- C248 H408 N72 U8 -","8","1","","Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry","Organometallics","2016","35","4","520","","10.1021/acs.organomet.5b00942","","","0.71073","MoKα","","0.0259","0.0187","","","0.0436","0.0464","","","","","","1.02","","","","has coordinates,has disorder","237397","2020-10-21","18:00:00",""
"4088242","16.548","0.003","12.335","0.003","34.058","0.007","90","","90","","90","","6952","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H46 Li Lu O Si2 -","- C36 H46 Li Lu O Si2 -","- C288 H368 Li8 Lu8 O8 Si16 -","8","1","","Xu, Ling; Wang, Yang; Wang, Yu-Chen; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Sandwich Lutetacyclopentadiene with the Coordination of Lithium to the Diene Unit: Synthesis, Structure, and Transformation","Organometallics","2015","35","1","5","","10.1021/acs.organomet.5b00957","","","0.71073","MoKα","","0.0953","0.0799","","","0.1179","0.1238","","","","","","1.262","","","","has coordinates","237406","2020-10-21","18:00:00",""
"4088300","17.211","0.002","12.9088","0.0015","20.443","0.002","90","","90","","90","","4541.9","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 Cl6 N4 Rh -","- C18 H21 Cl6 N4 Rh -","- C144 H168 Cl48 N32 Rh8 -","8","1","","Aznarez, Francisco; Sanz Miguel, Pablo J.; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two Different NHC Donors via a Mild NaOAc-Assisted C‒H Activation","Organometallics","2016","35","3","410","","10.1021/acs.organomet.5b00993","","","0.71073","MoKα","","0.0482","0.0323","","","0.0849","0.0928","","","","","","1.009","","","","has coordinates","237449","2020-10-21","18:00:00",""
"4088362","14.7025","0.0014","17.8447","0.0018","18.6571","0.0019","90","","90","","90","","4894.9","0.8","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","9 in manuscript","","","- C23 H36 Au Br0.92 Cl0.08 N2 O -","- C23 H36 Au Br0.918 Cl0.082 N2 O -","- C184 H288 Au8 Br7.344 Cl0.656 N16 O8 -","8","1","","Wurm, Thomas; Mulks, Florian; Böhling, Constantin R. N.; Riedel, Dominic; Zargaran, Poorya; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","Synthesis of Different Classes of Six-Membered Gold(I) NHC Complexes by the Isonitrile Route","Organometallics","2016","35","8","1070","","10.1021/acs.organomet.6b00023","","","0.71073","MoKα","","0.0686","0.0388","","","0.077","0.0863","","","","","","1.066","","","","has coordinates,has disorder","237503","2020-10-21","18:00:00",""
"4088480","15.5289","0.0004","18.4203","0.0006","22.0688","0.0006","90","","90","","90","","6312.7","0.3","150.02","0.1","150.02","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H46 Br2 Fe N2 O -","- C31 H46 Br2 Fe N2 O -","- C248 H368 Br16 Fe8 N16 O8 -","8","1","","Dunsford, Jay J.; Evans, David J.; Pugh, Thomas; Shah, Sachin N.; Chilton, Nicholas F.; Ingleson, Michael J.","Three-Coordinate Iron(II) Expanded Ring N-Heterocyclic Carbene Complexes","Organometallics","2016","35","8","1098","","10.1021/acs.organomet.6b00121","","","0.71073","MoKα","","0.0432","0.0307","","","0.0631","0.0677","","","","","","1.041","","","","has coordinates","237607","2020-10-21","18:00:00",""
"4088495","24.8105","0.0016","23.1345","0.0015","40.986","0.003","90","","90","","90","","23525","3","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H80 F2 Mo2 N4 O2 -","- C64 H80 F2 Mo2 N4 O2 -","- C1024 H1280 F32 Mo32 N64 O32 -","16","2","","Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou","Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate","Organometallics","2016","35","10","1534","","10.1021/acs.organomet.6b00132","","","0.71073","MoKα","","0.116","0.0582","","","0.1229","0.1477","","","","","","1.018","","","","has coordinates,has disorder","237616","2020-10-21","18:00:00",""
"4088506","17.7331","0.0019","17.5251","0.0019","19.791","0.002","90","","90","","90","","6150.5","1.1","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H34 F6 N2 Rh Sb -","- C31 H34 F6 N2 Rh Sb -","- C248 H272 F48 N16 Rh8 Sb8 -","8","1","","Sato, Yasuhiro; Kayaki, Yoshihito; Ikariya, Takao","Cationic Iridium and Rhodium Complexes with C‒N Chelating Primary Benzylic Amine Ligands as Potent Catalysts for Hydrogenation of Unsaturated Carbon‒Nitrogen Bonds","Organometallics","2016","35","9","1257","","10.1021/acs.organomet.6b00133","","","0.71075","MoKα","","","0.0618","","","","0.1286","","","","","","1","","","","has coordinates","237619","2020-10-21","18:00:00",""
"4088514","11.28","0.0005","17.652","0.0008","19.0498","0.0006","90","","90","","90","","3793.1","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Cl2 N2 Pd -","- C18 H22 Cl2 N2 Pd -","- C144 H176 Cl16 N16 Pd8 -","8","1","","Mikhaylov, Vladimir N.; Sorokoumov, Viktor N.; Korvinson, Kirill A.; Novikov, Alexander S.; Balova, Irina A.","Synthesis and Simple Immobilization of Palladium(II) Acyclic Diaminocarbene Complexes on Polystyrene Support as Efficient Catalysts for Sonogashira and Suzuki‒Miyaura Cross-Coupling","Organometallics","2016","35","11","1684","","10.1021/acs.organomet.6b00144","","","0.7107","MoKα","","0.0413","0.0291","","","0.0586","0.0646","","","","","","1.067","","","","has coordinates","237628","2020-10-21","18:00:00",""
"4088529","31.7741","0.0016","20.8238","0.0009","34.6631","0.0017","90","","90","","90","","22935.1","1.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H138 F9 O9 P6 Rh3 S3 -","- C90 H138 F9 O9 P6 Rh3 S3 -","- C720 H1104 F72 O72 P48 Rh24 S24 -","8","1","","Logan, Jessamyn R.; Piers, Warren E.; Borau-Garcia, Javier; Spasyuk, Denis M.","Ligand Attachment Chemistry in the Preparation of PCsp3P and PCsp2P Complexes of Rhodium","Organometallics","2016","35","9","1279","","10.1021/acs.organomet.6b00155","","","1.54178","CuKα","","0.133","0.074","","","0.172","0.1973","","","","","","0.888","","","","has coordinates,has disorder","237642","2020-10-21","18:00:00",""
"4088591","19.9247","0.0003","21.0682","0.0003","30.1189","0.0005","90","","90","","90","","12643.2","0.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C65 H74 B Cl F15 Li N2 O4 Pd -","- C61 H66 B Cl F15 Li N2 O3 Pd -","- C488 H528 B8 Cl8 F120 Li8 N16 O24 Pd8 -","8","1","","Winkler, Andrea; Brandhorst, Kai; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Palladium(II) Complexes with Anionic N-Heterocyclic Carbene‒Borate Ligands as Catalysts for the Amination of Aryl Halides","Organometallics","2016","35","8","1160","","10.1021/acs.organomet.6b00217","","","0.71073","MoKα","","0.0734","0.0669","","","0.1305","0.1339","","","","","","1.234","","","","has coordinates,has disorder","237690","2020-10-21","18:00:00",""
"4088629","16.489","0.003","17.02","0.003","19.647","0.004","90","","90","","90","","5513.8","1.8","105","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H29 Br2 Fe N O P2 -","- C29 H29 Br2 Fe N O P2 -","- C232 H232 Br16 Fe8 N8 O8 P16 -","8","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0911","0.0488","","","0.0847","0.0964","","","","","","1.056","","","","has coordinates,has disorder","237726","2020-10-21","18:00:00",""
"4088666","13.387","0.004","20.458","0.005","22.328","0.006","90","","90","","90","","6115","3","140","2","140.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H40 B Gd N2 Si -","- C33 H40 B Gd N2 Si -","- C264 H320 B8 Gd8 N16 Si8 -","8","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.1266","0.0596","","","0.125","0.1522","","","","","","0.997","","","","has coordinates","237754","2020-10-21","18:00:00",""
"4088690","15.9698","0.0013","17.7847","0.0015","21.9529","0.0019","90","","90","","90","","6235","0.9","100","0.5","100","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonlm36","(dippe)Pd(Ph)(CNBEt3)","","- C27 H52 B N P2 Pd -","- C27 H52 B N P2 Pd -","- C216 H416 B8 N8 P16 Pd8 -","8","1","","Munjanja, Lloyd; Torres-López, Coralys; Brennessel, William W.; Jones, William D.","C‒CN Bond Cleavage Using Palladium Supported by a Dippe Ligand","Organometallics","2016","35","11","2010","","10.1021/acs.organomet.6b00304","","","0.71073","MoKα","","0.0716","0.041","","","0.0854","0.0999","","","","","","1.042","","","","has coordinates","237767","2020-10-21","18:00:00",""
"4088715","17.302","0.003","11.7107","0.0018","25.039","0.004","90","","90","","90","","5073.4","1.4","160","","160","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Cl F6 N3 P Ru -","- C24 H25 Cl F6 N3 P Ru -","- C192 H200 Cl8 F48 N24 P8 Ru8 -","8","1","","Gupta, Suraj K.; Sahoo, Sandeep K.; Choudhury, Joyanta","Dramatic Effect of Ancillary NHC Ligand in the Highly Selective Catalytic Oxidative Carbon‒Carbon Multiple Bond Cleavage","Organometallics","2016","35","15","2462","","10.1021/acs.organomet.6b00337","","","0.71073","MoKα","","0.0285","0.024","","","0.0653","0.0687","","","","","","1.059","","","","has coordinates","237782","2020-10-21","18:00:00",""
"4088716","17.3769","0.0006","11.7733","0.0004","24.4785","0.0008","90","","90","","90","","5007.9","0.3","160","","160","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H24 Cl F6 N4 P Ru -","- C23 H24 Cl F6 N4 P Ru -","- C184 H192 Cl8 F48 N32 P8 Ru8 -","8","1","","Gupta, Suraj K.; Sahoo, Sandeep K.; Choudhury, Joyanta","Dramatic Effect of Ancillary NHC Ligand in the Highly Selective Catalytic Oxidative Carbon‒Carbon Multiple Bond Cleavage","Organometallics","2016","35","15","2462","","10.1021/acs.organomet.6b00337","","","0.71073","MoKα","","0.033","0.0249","","","0.0629","0.0679","","","","","","1.035","","","","has coordinates","237782","2020-10-21","18:00:00",""
"4088804","17.8284","0.0005","14.8154","0.0005","19.7722","0.0007","90","","90","","90","","5222.5","0.3","100","2","100.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl2 Co N2 P -","- C30 H23 Cl2 Co N2 P -","- C240 H184 Cl16 Co8 N16 P8 -","8","1","","Chu, Wan-Yi; Gilbert-Wilson, Ryan; Rauchfuss, Thomas B.; van Gastel, Maurice; Neese, Frank","Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis","Organometallics","2016","35","17","2900","","10.1021/acs.organomet.6b00457","","x-ray","0.71073","MoKα","","0.0553","0.0353","","","0.0753","0.0826","","","","","","1.021","","","","has coordinates","237838","2020-10-21","18:00:00",""
"4088838","18.247","0.004","18.899","0.004","23.171","0.005","90","","90","","90","","7991","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H58 Ge O Si8 -","- C29 H58 Ge O Si8 -","- C232 H464 Ge8 O8 Si64 -","8","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.047","0.0372","","","0.0849","0.0885","","","","","","1.09","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088844","17.4219","0.0006","18.2095","0.0006","27.6971","0.0009","90","","90","","90","","8786.7","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Ni(8PCy2NH)(dppe)](BF4)2","","- C43 H57 B2 F8 N Ni P4 -","- C43 H57 B2 F8 N Ni P4 -","- C344 H456 B16 F64 N8 Ni8 P32 -","8","1","","Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.","Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2","Organometallics","2016","35","17","2965","","10.1021/acs.organomet.6b00486","","","0.71073","MoKα","","0.0452","0.0325","","","0.0786","0.0822","","","","","","1.054","","","","has coordinates,has disorder","237853","2020-10-21","18:00:00",""
"4088911","11.8053","0.0015","14.5306","0.0018","29.999","0.004","90","","90","","90","","5146","1.1","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Cr N2 O3 P2 -","- C23 H38 Cr N2 O3 P2 -","- C184 H304 Cr8 N16 O24 P16 -","8","1","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0549","0.0441","","","0.0582","0.0591","","","","3.11","3.11","2.85","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088912","12.0638","0.0012","14.3453","0.0014","30.102","0.003","90","","90","","90","","5209.4","0.9","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Mo N2 O3 P2 -","- C23 H38 Mo N2 O3 P2 -","- C184 H304 Mo8 N16 O24 P16 -","8","1","","de Aguiar, Sara R. M. M.; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl","Arene C‒H Bond Coordination versus C‒H Bond Cleavage in Low-Valent Group 6 Carbonyl Pincer Complexes","Organometallics","2016","35","17","3032","","10.1021/acs.organomet.6b00563","","x-ray","0.71073","MoKα","","0.0359","0.0283","","","0.0528","0.0542","","","","2.03","2.03","1.94","","","","has coordinates","237878","2020-10-21","18:00:00",""
"4088983","9.3658","0.0002","14.7653","0.0003","40.8371","0.0009","90","","90","","90","","5647.3","0.2","100.15","","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H42 I Ir N O6 P -","- C25 H42 I Ir N O6 P -","- C200 H336 I8 Ir8 N8 O48 P8 -","8","1","","Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres","Organometallics","2016","35","17","3074","","10.1021/acs.organomet.6b00607","","","1.54178","CuKα","","0.0294","0.0284","","","0.0699","0.0705","","","","","","1.172","","","","has coordinates","237909","2020-10-21","18:00:00",""
"4088985","18.2346","0.0007","17.6765","0.0006","37.7548","0.0014","90","","90","","90","","12169.3","0.8","100","","100","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H54 B F24 Ir N O7 P -","- C58 H54 B F24 Ir N O7 P -","- C464 H432 B8 F192 Ir8 N8 O56 P8 -","8","1","","Gregor, Lauren C.; Grajeda, Javier; Kita, Matthew R.; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Modulating the Elementary Steps of Methanol Carbonylation by Bridging the Primary and Secondary Coordination Spheres","Organometallics","2016","35","17","3074","","10.1021/acs.organomet.6b00607","","","1.54178","CuKα","","0.0756","0.048","","","0.0994","0.1097","","","","","","1.07","","","","has coordinates,has disorder","237909","2020-10-21","18:00:00",""
"4088991","13.7415","0.001","22.9967","0.0017","41.383","0.003","90","","90","","90","","13077.4","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H50 B20 P2 Pd -","- C16 H50 B20 P2 Pd -","- C256 H800 B320 P32 Pd16 -","16","2","","Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent","Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling","Organometallics","2016","35","19","3257","","10.1021/acs.organomet.6b00622","","","0.71073","MoKα","","0.1116","0.0718","","","0.1329","0.1449","","","","","","1.156","","","","has coordinates,has disorder","237916","2020-10-21","18:00:00",""
"4089088","15.435","0.012","25.112","0.019","25.7","0.019","90","","90","","90","","9961","13","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C124 H94 Cu2 P8 -","- C124 H94 Cu2 P8 -","- C496 H376 Cu8 P32 -","4","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0754","0.0479","","","0.1129","0.1261","","","","","","1.03","","","","has coordinates,has disorder","237980","2020-10-21","18:00:00",""
"4089091","18.233","0.004","26.789","0.006","27.271","0.006","90","","90","","90","","13320","5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C127 H100 Ag6 Br4 O P8 -","- C127 H100 Ag6 Br4 O P8 -","- C508 H400 Ag24 Br16 O4 P32 -","4","0.5","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0664","0.0465","","","0.1296","0.1431","","","","","","1.048","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089096","21.974","0.009","20.503","0.01","26.6","0.011","90","","90","","90","","11984","9","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H53 Au Cu F6 O P5 -","- C69 H53 Au Cu F6 O P5 -","- C552 H424 Au8 Cu8 F48 O8 P40 -","8","1","","Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines","Organometallics","2016","35","21","3763","","10.1021/acs.organomet.6b00701","","","0.71073","MoKα","","0.0675","0.0437","","","0.0812","0.0892","","","","","","1.029","","","","has coordinates","237980","2020-10-21","18:00:00",""
"4089121","14.3961","0.0006","16.8578","0.0008","22.5345","0.001","90","","90","","90","","5468.8","0.4","193","2","193","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C22 H34 B Cl4 Ga N P -","- C22 H34 B Cl4 Ga N P -","- C176 H272 B8 Cl32 Ga8 N8 P8 -","8","1","","Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Amino and Alkyl B-Substituted P-Stabilized Borenium Salts","Organometallics","2016","35","21","3788","","10.1021/acs.organomet.6b00737","","x-ray","0.71073","MoKα","","0.0461","0.032","","","0.0917","0.1019","","","","","","1.048","","","","has coordinates","237999","2020-10-21","18:00:00",""
"4089130","7.5576","0.0004","16.6345","0.0009","32.2137","0.0017","90","","90","","90","","4049.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H29 N O2 W -","- C22 H29 N O2 W -","- C176 H232 N8 O16 W8 -","8","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71073","MoKα","","0.0482","0.0391","","","0.0679","0.0703","","","","","","1.197","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089147","18.6401","0.0006","17.0928","0.0005","26.7711","0.0008","90","","90","","90","","8529.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4c","","- C45 H53 N3 O3 Ru S3 -","- C45 H53 N3 O3 Ru S3 -","- C360 H424 N24 O24 Ru8 S24 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0318","0.0271","","","0.0686","0.0722","","","","","","1.037","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089151","19.7231","0.0007","16.3731","0.0006","26.6239","0.0009","90","","90","","90","","8597.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4i","","- C40 H43 Cl6 N3 Ru S2 -","- C40 H43 Cl6 N3 Ru S2 -","- C320 H344 Cl48 N24 Ru8 S16 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.0546","0.0545","","","0.148","0.1481","","","","","","1.053","","","","has coordinates,has disorder","238010","2020-10-21","18:00:00",""
"4089159","17.8536","0.0006","21.0427","0.0006","21.5515","0.0007","90","","90","","90","","8096.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ru-4r","","- C44 H47 Cl2 N3 Ru S2 -","- C44 H47 Cl2 N3 Ru S2 -","- C352 H376 Cl16 N24 Ru8 S16 -","8","1","","Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H.","Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation","Organometallics","2016","35","22","3878","","10.1021/acs.organomet.6b00773","","","1.54178","CuKα","","0.1043","0.0613","","","0.1489","0.1721","","","","","","1.007","","","","has coordinates","238010","2020-10-21","18:00:00",""
"4089308","17.855","0.002","19.375","0.004","17.092","0.004","90","","90","","90","","5913","2","213","2","213","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3Me2d","","","- C28 H38 B N7 O2 Pd -","- C28 H38 B N7 O2 Pd -","- C224 H304 B8 N56 O16 Pd8 -","8","1","","Kujime, Masato; Hikichi, Shiro; Akita, Munetaka","N/O- and C-Bound (Enolato)palladium Complexes with Hydrotris(pyrazolyl)borato Ligands (TpR: R = iPr2, Me2) Obtained via Dehydrative Condensation between the Hydroxo Complexes TpRPd(Py)OH and Active Methylene Compounds: Factors Determining the Isomer Distribution and Dimerization of Cyano Compounds","Organometallics","2001","20","19","4049","","10.1021/om010448o","","","0.71069","MoKα","","0.1186","0.0663","","","0.1855","0.2059","","","","","","0.999","","","","has coordinates","244973","2020-10-21","18:00:00",""
"4089314","18.766","0.0009","33.6982","0.0015","11.1454","0.0004","90","","90","","90","","7048.1","0.5","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","compound 1Fe","","","- C31 H46 B Co Fe N6 O4 -","- C31 H46 B Co Fe N6 O4 -","- C248 H368 B8 Co8 Fe8 N48 O32 -","8","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.1282","0.0858","","","0.235","0.2462","","","","","","1.289","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089315","18.9214","0.0012","33.5653","0.0019","11.2002","0.0008","90","","90","","90","","7113.3","0.8","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","compound 1Mn","","","- C31 H46 B Co Mn N6 O4 -","- C31 H46 B Co Mn N6 O4 -","- C248 H368 B8 Co8 Mn8 N48 O32 -","8","1","","Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka","Rational Synthesis and Reversible Metal−Metal Bond Scission of Heterobimetallic Xenophilic Complexes Containing an Unsupported, Polar Metal−Metal Bond, TpiPr2M−Co(CO)3L (M = Ni, Co, Fe, Mn; L = CO, PPh3)","Organometallics","2001","20","24","5002","","10.1021/om010651j","","","0.71069","MoKα","","0.1391","0.0939","","","0.2475","0.2609","","","","","","1.364","","","","has coordinates","244974","2020-10-21","18:00:00",""
"4089330","16.144","0.01","15.353","0.01","16.914","0.011","90","","90","","90","","4192","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 N2 O3 Pd -","- C22 H30 N2 O3 Pd -","- C176 H240 N16 O24 Pd8 -","8","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0269","0.0227","","","0.0591","0.0622","","","","","","1.003","","","","has coordinates","243612","2020-10-21","18:00:00",""
"4089350","17.9985","0.0016","20.5761","0.0018","22.744","0.002","90","","90","","90","","8423","1.3","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holjv64","","","- C42 H62 Li2 N4 O4 -","- C42 H62 Li2 N4 O4 -","- C336 H496 Li16 N32 O32 -","8","1","","Vela, Javier; Zhu, Liwei; Flaschenriem, Christine J.; Brennessel, William W.; Lachicotte, Rene J.; Holland, Patrick L.","Macrocyclic Binucleating β-Diketiminate Ligands and their Lithium, Aluminum, and Zinc Complexes.","Organometallics","2007","26","14","3416","3423","10.1021/om0700258","","","0.71073","MoKα","","0.1971","0.1459","","","0.4443","0.4922","","","","","","1.794","","","","has coordinates,has disorder","243616","2020-10-21","18:00:00",""
"4089364","17.371","0.002","21.4852","0.0019","21.5176","0.0018","90","","90","","90","","8030.8","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H74 B2 Br4.8 Cl7.2 F20 Mg4 O6 -","- C57 H74 B2 Br4.77 Cl7.23 F20 Mg4 O6 -","- C228 H296 B8 Br19.08 Cl28.92 F80 Mg16 O24 -","4","0.5","","Schnurr, Anna; Samigullin, Kamil; Breunig, Jens M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One-Pot Synthesis of [(C6F5)2BH2]−from C6F5MgBr/BH3·SMe2and Its in Situ Transformation to Piers’ Borane","Organometallics","2011","30","10","2838","","10.1021/om200186w","","","0.71073","MoKα","","0.1124","0.0505","","","0.0893","0.1061","","","","","","0.869","","","","has coordinates,has disorder","265217","2021-05-14","09:38:24",""
"4089379","18.52","0.0011","16.6656","0.001","24.7602","0.0015","90","","90","","90","","7642.2","0.8","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","L(tBu)Co(n-hexyl)","","","- C41 H66 Co N2 -","- C41 H66 Co N2 -","- C328 H528 Co8 N16 -","8","1","","Dugan, Thomas R.; Goldberg, Jonathan M.; Brennessel, William W.; Holland, Patrick L.","Low-Coordinate Cobalt Fluoride Complexes: Synthesis, Reactions, and Production from C‒F Activation Reactions","Organometallics","2012","31","4","1349","","10.1021/om200991k","","","0.71073","MoKα","","0.112","0.0546","","","0.1175","0.1433","","","","","","1.007","","","","has coordinates","243624","2020-10-21","18:00:00",""
"4089384","19.3493","0.001","15.3733","0.0007","22.8019","0.0011","90","","90","","90","","6782.7","0.6","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H45 N3 -","- C38 H45 N3 -","- C304 H360 N24 -","8","1","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.7107","MoKα","","0.0962","0.055","","","0.1267","0.1535","","","","","","1.019","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089412","21.552","0.002","9.2415","0.0009","25.094","0.002","90","","90","","90","","4998","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(cyclooctyne)3Cu][SbF6]","","","- C24 H35 Cu F6 Sb -","- C24 H35 Cu F6 Sb -","- C192 H280 Cu8 F48 Sb8 -","8","1","","Das, Animesh; Dash, Chandrakanta; Celik, Mehmet Ali; Yousufuddin, Muhammed; Frenking, Gernot; Dias, H. V. Rasika","Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+(M = Cu, Ag) and (cyclooctyne)2Au+and Coinage Metal (M = Cu, Ag, Au) Family Group Trends","Organometallics","2013","32","11","3135","","10.1021/om400073a","","","0.71073","MoKα","","0.0979","0.0791","","","0.2015","0.212","","","","","","1.225","","","","has coordinates,has disorder","243635","2020-10-21","18:00:00",""
"4089481","16.842","0.002","14.759","0.003","21.708","0.003","90","","90","","90","","5396","1.5","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Mo O4 P2 -","- C29 H30 Mo O4 P2 -","- C232 H240 Mo8 O32 P16 -","8","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0577","","","","0.119","","","","","","1.278","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089484","18.8623","0.0015","24.459","0.002","25.783","0.002","90","","90","","90","","11895.1","1.6","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","B6 in manuscript","","","- C54 H59 B F24 Ni O2 P2 -","- C54 H59 B F24 Ni O2 P2 -","- C432 H472 B8 F192 Ni8 O16 P16 -","8","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.0854","0.0507","","","0.1148","0.1345","","","","","","1.02","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089496","18.8584","0.0003","16.0547","0.0003","20.9696","0.0004","90","","90","","90","","6348.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","in paper 2a","","","- C36 H38 B F3 Ni P2 -","- C36 H38 B F3 Ni P2 -","- C288 H304 B8 F24 Ni8 P16 -","8","1","","Gutsulyak, Dmitry V.; Gott, Andrew L.; Piers, Warren E.; Parvez, Masood","Dimerization of Ethylene by Nickel Phosphino‒Borate Complexes","Organometallics","2013","32","11","3363","","10.1021/om400288u","","","0.71073","MoKα","","0.0784","0.0527","","","0.1086","0.1249","","","","","","1.053","","","","has coordinates","243658","2020-10-21","18:00:00",""
"4089513","7.3069","0.0001","19.8442","0.0003","23.0312","0.0003","90","","90","","90","","3339.51","0.08","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Au N3 O2 -","- C18 H18 Au N3 O2 -","- C144 H144 Au8 N24 O16 -","8","1","","Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.","Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties","Organometallics","2013","32","11","3376","","10.1021/om400318p","","x-ray","0.71073","MoKα","","0.0261","0.0167","","","0.0301","0.0322","","","","","","1.031","","","","has coordinates","243661","2020-10-21","18:00:00",""
"4089515","9.7218","0.0006","17.9719","0.0011","22.2856","0.0013","90","","90","","90","","3893.7","0.4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Au Cl N3 -","- C21 H23 Au Cl N3 -","- C168 H184 Au8 Cl8 N24 -","8","1","","Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.","Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties","Organometallics","2013","32","11","3376","","10.1021/om400318p","","x-ray","0.71073","MoKα","","0.03","0.0157","","","0.0255","0.0272","","","","","","1.02","","","","has coordinates","243661","2020-10-21","18:00:00",""
"4089526","10.4303","0.0002","17.7418","0.0002","27.2397","0.0004","90","","90","","90","","5040.77","0.13","123","1","123","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O5 P2 W -","- C22 H32 O5 P2 W -","- C176 H256 O40 P16 W8 -","8","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54184","CuKα","","0.0415","0.0312","","","0.0767","0.0794","","","","","","0.908","","","","has coordinates","243669","2020-10-21","18:00:00",""
"4089557","13.7979","0.0002","10.8846","0.0001","16.5218","0.0002","90","","90","","90","","2481.32","0.05","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 N2 O2 Sn2 -","- C18 H36 Cl2 N2 O2 Sn2 -","- C72 H144 Cl8 N8 O8 Sn8 -","4","0.5","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Organic Amides as Suitable Precursors to Stabilize Stannylenes","Organometallics","2013","32","12","3557","","10.1021/om400476c","","","1.5418","CuKα","","0.0928","0.0789","","","0.1895","0.218","","","","","","1.096","","","","has coordinates","243688","2020-10-21","18:00:00",""
"4089600","12.999","0.003","15.004","0.003","23.641","0.005","90","","90","","90","","4610.9","1.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C15 H33 F3 N O3 P2 Rh S -","- C15 H33 F3 N O3 P2 Rh S -","- C120 H264 F24 N8 O24 P16 Rh8 S8 -","8","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0736","0.0549","","","0.1419","0.1521","","","","","","1.038","","","","has coordinates","243696","2020-10-21","18:00:00",""
"4089613","17.891","0.004","13.435","0.004","27.024","0.01","90","","90","","90","","6496","3","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Cl2 N2 O2 P2 Pt -","- C36 H34 Cl2 N2 O2 P2 Pt -","- C288 H272 Cl16 N16 O16 P16 Pt8 -","8","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.086","0.0432","","","0.0747","0.0864","","","","","","1.026","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089614","17.917","0.008","13.679","0.005","27.254","0.008","90","","90","","90","","6680","4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H40 N2 O2 P2 Pt -","- C38 H40 N2 O2 P2 Pt -","- C304 H320 N16 O16 P16 Pt8 -","8","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0911","0.0435","","","0.0741","0.0874","","","","","","1.02","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089629","9.8639","0.0001","8.6409","0.0001","19.7464","0.0002","90","","90","","90","","1683.04","0.03","193","1","193","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","1","","Tronnier, Alexander; Poethig, Alexander; Herdtweck, Eberhardt; Strassner, Thomas","C∧C* Cyclometalated Platinum(II) NHC Complexes with β-Ketoimine Ligands","Organometallics","2014","33","4","898","","10.1021/om401023f","","","0.71073","MoKα","","0.0329","0.0298","","","0.0784","0.0819","","","","","","1.048","","","","has coordinates","243711","2020-10-21","18:00:00",""
"4089639","18.3","0.007","15.977","0.006","20.88","0.008","90","","90","","90","","6105","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Br N2 O Pd -","- C15 H17 Br N2 O Pd -","- C240 H272 Br16 N32 O16 Pd16 -","16","2","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.0568","0.0379","","","0.0888","0.0992","","","","","","1.049","","","","has coordinates","243712","2020-10-21","18:00:00",""
"4089660","8.867","0.0004","17.2094","0.0006","23.0269","0.0008","90","","90","","90","","3513.8","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl N2 O2 Rh -","- C18 H24 Cl N2 O2 Rh -","- C144 H192 Cl8 N16 O16 Rh8 -","8","1","","Chaplin, Adrian B.","Rhodium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Preparation of Mono-, Bis-, and Tris-ligated NHC Complexes","Organometallics","2014","33","12","3069","","10.1021/om500332n","","","0.7107","MoKα","","0.0679","0.0543","","","0.135","0.1419","","","","","","1.104","","","","has coordinates","243716","2020-10-21","18:00:00",""
"4089690","8.306","0.003","22.618","0.008","34.932","0.012","90","","90","","90","","6563","4","100","2","100.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H32 O4 Si4 -","- C38 H32 O4 Si4 -","- C304 H256 O32 Si32 -","8","1","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Song, Zhegang; Tang, Ben Zhong; Zhang, Chaocan; West, Robert","Synthesis and High Solid-State Fluorescence of Cyclic Silole Derivatives","Organometallics","2014","34","1","78","","10.1021/om500884b","","","0.71073","MoKα","","0.0444","0.0354","","","0.0887","0.0939","","","","","","1.069","","","","has coordinates","243722","2020-10-21","18:00:00",""
"4100040","13.91","0.0003","19.228","0.0005","23.515","0.0007","90","","90","","90","","6289.4","0.3","150","2","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H31 F6 K O8 -","- C29 H31 F6 K O8 -","- C232 H248 F48 K8 O64 -","8","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","218965","2020-10-21","18:00:00",""
"4100186","13.8174","0.0016","20.133","0.005","20.818","0.002","90","","90","","90","","5791.3","1.7","293","2","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H26 O2 Ru -","- C37 H26 O2 Ru -","- C296 H208 O16 Ru8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051576x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100283","11.5856","0.0005","18.9039","0.001","34.762","0.0016","90","","90","","90","","7613.3","0.6","117","1","117","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H51 Cl2 Fe N3 O2 -","- C40 H51 Cl2 Fe N3 O2 -","- C320 H408 Cl16 Fe8 N24 O16 -","8","1","","Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.","Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation","Journal of the American Chemical Society","2005","127","40","13955","13968","10.1021/ja052129k","","","","","","","","","","","","","","","","","","","","","has coordinates","219032","2020-10-21","18:00:00",""
"4100295","13.283","0.003","12.833","0.003","22.746","0.005","90","0.005","90","0.005","90","0.005","3877.3","1.5","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H50 P4 Ru -","- C40 H50 P4 Ru -","- C160 H200 P16 Ru4 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100339","18.804","0.003","8.874","0.001","24.37","0.004","89","","89","","90","","4066.7","1.2","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl N2 Pd -","- C20 H31 Cl N2 Pd -","- C160 H248 Cl8 N16 Pd8 -","8","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100340","20.739","0.003","22.011","0.003","28.091","0.004","90","","90","","90","","12822.9","3.5","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H45 Cl3 N2 Pd -","- C33 H38.5 Cl3 N2 Pd -","- C528 H616 Cl48 N32 Pd16 -","16","2","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4100366","18.149","0.004","20.315","0.004","27.882","0.006","90","","90","","90","","10280","4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C48 H96 N16 -","- C48 H96 N16 -","- C384 H768 N128 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100368","15.3043","0.0004","25.3617","0.0007","27.7091","0.0008","90","","90","","90","","10755.1","0.5","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","germane","","","- C30 H40 Ge -","- C30 H40 Ge -","- C480 H640 Ge16 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100487","14.5986","0.0016","20.862","0.002","28.726","0.003","90","","90","","90","","8748.7","1.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H48 Cu2 N11 O15 P -","- C39 H46 Cu2 N11 O15 P -","- C312 H368 Cu16 N88 O120 P8 -","8","1","","M. Jagoda; S. Warzeska; H. Pritzkow; H. Wadepohl; P. Imhof; J. Smith; R. Krämer","Catalytic Transesterification of Dialkyl Phosphates by a Bioinspired Dicopper(II) Macrocyclic Complex","Journal of the American Chemical Society","2005","","","15061","","10.1021/ja051357b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100494","15.8683","0.001","11.002","0.002","26.673","0.003","90","","90","","90","","4656.5","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 O P -","- C32 H23 O P -","- C256 H184 O8 P8 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0518171","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100538","12.524","0.0019","15.788","0.002","30.928","0.005","90","","90","","90","","6115.4","1.6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H51 N O2 P2 Ru Si2 -","- C24 H51 N O2 P2 Ru Si2 -","- C192 H408 N8 O16 P16 Ru8 Si16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052973a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100618","10.4744","0.0006","23.1133","0.0011","30.5198","0.0017","90","","90","","90","","7388.8","0.7","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 N O5 P2 Ru2 -","- C40 H29 N O5 P2 Ru2 -","- C320 H232 N8 O40 P16 Ru16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042510p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100655","16.947","0.002","16.975","0.002","20.846","0.003","90","","90","","90","","5996.7","1.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H70 Cl4 Cu4 Fe4 P4 S6 -","- C36.94 H70 Cl4 Cu4 Fe4 P4 S6 -","- C147.76 H280 Cl16 Cu16 Fe16 P16 S24 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042938o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100658","21.5707","0.0015","21.4607","0.0015","23.8297","0.0017","90","","90","","90","","11031.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{(PNP)cu}2","","","- C56 H88 Cu2 N2 P4 -","- C56 H88 Cu2 N2 P4 -","- C448 H704 Cu16 N16 P32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043092r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100693","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4723","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100736","17.998","0.003","13.063","0.002","18.084","0.003","90","","90","","90","","4251.7","1.1","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl6 O3 Sb -","- C14 H19 Cl6 O3 Sb -","- C112 H152 Cl48 O24 Sb8 -","8","1","","Kubo, Kazuyuki; Jones, Nathan D.; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Chelate and pincer carbene complexes of rhodium and platinum derived from hexaphenylcarbodiphosphorane, Ph3P=C=PPh3","Journal of the American Chemical Society","2005","","","","","10.1021/ja050830i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100741","17.422","0.003","17.076","0.002","15.536","0.002","90","","90","","90","","4622.2","1.1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H70 Mg2 N2 O4 Si4 -","- C38 H70 Mg2 N2 O4 Si4 -","- C152 H280 Mg8 N8 O16 Si16 -","4","0.5","","He, Xuyang; Allan, John F.; Noll, Bruce C.; Henderson, Kenneth W.","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051050c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100751","17.318","0.001","8.644","0.0006","33.192","0.002","89","","89","","90","","4968","1","123.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H33 F5 N2 Zr -","- C29 H33 F5 N2 Zr -","- C232 H264 F40 N16 Zr8 -","8","1","","Helen M. Hoyt; Forrest E. Michael; Robert G. Bergman","C-H Bond Activation of Hydrocarbons by an Imidozirconocene Complex","Journal of the American Chemical Society","2004","126","","1018","1019","10.1021/ja0385944","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100772","17.2967","0.0002","21.7453","0.0002","26.3952","0.0003","90","","90","","90","","9927.81","0.19","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H146 N2 O10 P8 Pt4 -","- C90 H146 N2 O10 P8 Pt4 -","- C360 H584 N8 O40 P32 Pt16 -","4","0.5","","Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang","Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly","Journal of the American Chemical Society","2004","126","","2464","2473","10.1021/ja039235b","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100817","10.4208","0.0001","15.3407","0.0002","19.1777","0.0003","90","","90","","90","","3065.79","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100818","10.4213","0.0001","15.3544","0.0002","19.2246","0.0003","90","","90","","90","","3076.18","0.07","125","","125","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100819","10.4219","0.0001","15.3837","0.0002","19.3309","0.0003","90","","90","","90","","3099.27","0.07","175","","175","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100820","10.4126","0.0002","15.4723","0.0002","19.6515","0.0004","90","","90","","90","","3165.99","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C144 H136 N8 O32 -","8","1","","Paola Gilli; Valerio Bertolasi; Loretta Pretto; Valeria Ferretti; Gastone Gilli","Covalent versus Electrostatic Nature of the Strong Hydrogen Bond: Discrimination among Single, Double, and Asymmetric Single-Well Hydrogen Bonds by Variable-Temperature X-ray Crystallographic Methods in β-Diketone Enol RAHB Systems","Journal of the American Chemical Society","2004","126","","3845","3855","10.1021/ja030213z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100970","17.097","0.002","9.395","0.0013","18.607","0.003","90","","90","","90","","2988.9","0.7","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Cl N2 -","- C15 H19 Cl N2 -","- C120 H152 Cl8 N16 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100992","10.433","0.002","14.876","0.003","23.811","0.004","90","","90","","90","","3695.6","1.2","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Rh -","- C20 H31 Rh -","- C160 H248 Rh8 -","8","1","","Thomas Cadenbach; Christian Gemel; Rochus Schmid; Roland Fischer","Mechanistic Insights into an Unprecedented C-C Bond...","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101127","9.047","0.0005","21.1758","0.0006","13.6531","0.0009","90","","90","","90","","2615.6","0.2","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0561082","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101138","18.9792","0.0004","9.7445","0.0002","35.3217","0.0007","90","","90","","90","","6532.5","0.2","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C32.25 H46 Al Br Cl0.5 N2 O2 -","- C258 H368 Al8 Br8 Cl4 N16 O16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101141","22.612","0.0003","22.858","0.0003","26.785","0.0004","90","","90","","90","","13844.2","0.3","90","0.2","90","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76.99 H81.7 Al Br N2 O4 P2 -","- C77.215 H81.96 Al Br N2 O4 P2 -","- C617.72 H655.68 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4101179","17.091","0.002","16.383","0.0019","22.603","0.003","90","","90","","90","","6328.8","1.3","105","","105","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 Cl2 N2 Pt -","- C33 H36 Cl2 N2 Pt -","- C264 H288 Cl16 N16 Pt8 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056694z","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101189","13.135","0.003","17.211","0.003","20.129","0.004","90","","90","","90","","4550.6","1.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H26 Cl N O4 -","- C27 H26 Cl N O4 -","- C216 H208 Cl8 N8 O32 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602997","","","","","","","","","","","","","","","","","","","","","has coordinates","178757","2020-10-21","18:00:00",""
"4101224","12.8791","0.0015","16.3859","0.0016","19.941","0.002","90","","90","","90","","4208.3","0.8","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O7 -","- C22 H20 Br N O7 -","- C176 H160 Br8 N8 O56 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101234","16.0464","0.0019","9.5126","0.0012","29.522","0.004","90","","90","","90","","4506.3","1","243","2","243","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","(NpH)Mo(PMe3)3","","","- C19 H35 Mo P3 -","- C19 H35 Mo P3 -","- C152 H280 Mo8 P24 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058107f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101437","13.6546","0.001","12.7382","0.0009","19.7605","0.0014","90","","90","","90","","3437","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C160 H200 N8 O24 -","8","1","","Ma, Shengming; Gu, Zhenhua","Sequential rearrangement of 1,2,4Z,7-tetraenes involving [1,5]-hydrogen migration and electrocyclization: an efficient synthesis of eight-membered cyclic compounds.","Journal of the American Chemical Society","2006","128","15","4942","4943","10.1021/ja057985a","","","0.71073","MoKα","","0.0727","0.0548","","","0.136","0.1464","","","","","","0.986","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101454","12.4353","0.0019","17.434","0.003","17.516","0.003","90","","90","","90","","3797.3","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 B11 Br6 -","- C5 H11 B11 Br6 -","- C40 H88 B88 Br48 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1172","0.0624","","","0.1562","0.205","","","","","","1.017","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101457","11.7337","0.0006","24.0688","0.0011","24.6327","0.0012","90","","90","","90","","6956.7","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H51 B11 Na2 O4 -","- C26 H51 B11 Na2 O4 -","- C208 H408 B88 Na16 O32 -","8","1","","Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.","Journal of the American Chemical Society","2006","128","15","5219","5230","10.1021/ja0605772","","","0.71073","MoKα","","0.1629","0.0804","","","0.2211","0.2975","","","","","","1.062","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4101483","13.2654","0.0002","13.3187","0.0002","19.3102","0.0004","90","","90","","90","","3411.69","0.1","125","2","125","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Cl N2 Pd -","- C19 H17 Cl N2 Pd -","- C152 H136 Cl8 N16 Pd8 -","8","1","","Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit","New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes.","Journal of the American Chemical Society","2006","128","19","6508","6519","10.1021/ja060747a","","","1.54178","CuKα","","0.0622","0.0471","","","0.128","0.1362","","","","","","0.982","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101497","10.516","0.002","9.554","0.0019","16.67","0.003","90","","90","","90","","1674.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Wan, Xiaobing; Ma, Zhongxun; Li, Bijie; Zhang, Keya; Cao, Shaokui; Zhang, Shiwei; Shi, Zhangjie","Highly selective C-H functionalization/halogenation of acetanilide.","Journal of the American Chemical Society","2006","128","23","7416","7417","10.1021/ja060232j","","","0.71073","MoKα","","0.067","0.0323","","","0.0634","0.0663","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101535","19.8805","0.001","11.7498","0.0006","31.4557","0.0015","90","","90","","90","","7347.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H36 N2 O10 S4 -","- C36 H36 N2 O10 S4 -","- C288 H288 N16 O80 S32 -","8","1","","Lukin, Oleg; Gramlich, Volker; Kandre, Ramchandra; Zhun, Igor; Felder, Thorsten; Schalley, Christoph A; Dolgonos, Grigoriy","Designer dendrimers: branched oligosulfonimides with controllable molecular architectures.","Journal of the American Chemical Society","2006","128","27","8964","8974","10.1021/ja061606b","","","0.71073","MoKα","","0.1384","0.0572","","","0.1135","0.1217","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101543","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi","Aryl-halide versus aryl-aryl reductive elimination in Pt(IV)-phosphine complexes.","Journal of the American Chemical Society","2006","128","27","8710","8711","10.1021/ja062166r","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101587","11.0895","0.0003","15.69","0.0005","30.3155","0.001","90","","90","","90","","5274.7","0.3","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GRF003","GRF003","","- C24 H48 O3 P2 Pd -","- C24 H48 O3 P2 Pd -","- C192 H384 O24 P16 Pd8 -","8","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.123","0.0537","","","0.1305","0.1602","","","","","","0.967","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101600","21.049","0.005","14.373","0.005","22.479","0.005","90","","90","","90","","6801","3","93","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H38 Mo O2 Rh2 S4 -","- C34 H38 Mo O2 Rh2 S4 -","- C272 H304 Mo8 O16 Rh16 S32 -","8","1","","Muratsugu, Satoshi; Sodeyama, Keitaro; Kitamura, Fusao; Sugimoto, Manabu; Tsuneyuki, Shinji; Miyashita, Seiji; Kato, Tatsuhisa; Nishihara, Hiroshi","Two-Electron Reduction of a Rh-Mo-Rh Dithiolato Complex To Form a Triplet Ground State Associated with a Change in CO Coordination Mode","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1388","","10.1021/ja8090577","","","0.71069","MoKα","","","0.0354","","","","0.071","","","","","","1.184","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101662","22.958","0.002","7.2742","0.0007","18.915","0.002","90","0.005","90","0.005","90","0.005","3158.8","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Br Cl2 O3 -","- C15 H17 Br Cl2 O3 -","- C120 H136 Br8 Cl16 O24 -","8","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.1162","0.0599","","","0.1123","0.1319","","","","","","1.063","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101731","9.7235","0.0002","9.7323","0.0002","20.421","0.0005","90","","90","","90","","1932.48","0.07","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 Eu O10 P2 -","- C2 H11 Eu O10 P2 -","- C16 H88 Eu8 O80 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.024","0.0168","","","0.0397","0.0438","","","","","","1.132","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101732","9.774","0.005","20.406","0.009","9.805","0.005","90","","90","","90","","1955.6","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C2 H8 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C2 H4 Ge0.1 Na0.9 Nd0.9 O9 P2 -","- C16 H32 Ge0.8 Na7.2 Nd7.2 O72 P16 -","8","1","","Shi, F. N.; Cunha-Silva, L.; Ferreira, R. A. Sa; Mafra, L.; Trindade, T.; Carlos, L. D.; Paz, F. A. Almeida; Rocha, J.","Interconvertable modular framework and layered lanthanide(III)-etidronic acid coordination polymers.","Journal of the American Chemical Society","2008","130","1","150","167","10.1021/ja074119k","","","0.71073","MoKα","","0.0904","0.0457","","","0.0925","0.0983","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101745","14.872","0.003","13.467","0.003","22.558","0.005","90","","90","","90","","4517.9","1.7","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","frowh01","","","- C23 H38 O4 Si -","- C23 H38 O4 Si -","- C184 H304 O32 Si8 -","8","1","","He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J.","Total Synthesis of (±)-Merrilactone A","Journal of the American Chemical Society","2008","130","1","300","308","10.1021/ja0761986","","","0.71073","MoKα","","0.0624","0.0497","","","0.137","0.1447","","","","","","1.055","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101853","16.4397","0.0015","7.3508","0.0006","18.6167","0.0016","90","","90","","90","","2249.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Benjamin J. Coe; Simon P. Foxon; Elizabeth C. Harper; Madeleine Helliwell; James Raftery; Catherine A. Swanson; Bruce S. Brunschwig; Koen Clays; Edith Franz; Javier Garín; Jesús Orduna; Peter N. Horton; Michael B. Hursthouse","Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores","Journal of the American Chemical Society","2010","132","","1706","1723","10.1021/ja908667p","","","0.71073","MoKα","","0.0452","0.0355","","","0.0797","0.0838","","","","","","1.12","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101877","15.334","0.004","8.573","0.003","24.431","0.007","90","","90","","90","","3211.7","1.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meso-1,1'-(ditertbutylethylenyl)ferrocene","","","- C20 H28 Fe -","- C20 H28 Fe -","- C160 H224 Fe8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0494","0.0334","","","0.1001","0.1426","","","","","","1.34","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101880","15.377","0.0004","8.678","0.0002","24.7818","0.0006","90","","90","","90","","3306.92","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Ru -","- C20 H28 Ru -","- C160 H224 Ru8 -","8","1","","David E. Herbert; Joe B. Gilroy; Anne Staubitz; Mairi F. Haddow; Jeremy N. Harvey; Ian Manners","Strain-Induced Cleavage of Carbon-Carbon Bonds: Bridge Rupture Reactions of Group 8 Dicarba[2]metallocenophanes","Journal of the American Chemical Society","2010","132","","1988","1998","10.1021/ja9087049","","","0.71073","MoKα","","0.0308","0.0246","","","0.0658","0.0696","","","","","","1.143","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101896","10.5382","0.001","20.0664","0.0015","31.987","0.003","90","","90","","90","","6764.1","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Al2 Cl6 O2 P -","- C28 H33 Al2 Cl6 O2 P -","- C224 H264 Al16 Cl48 O16 P8 -","8","1","","Gabriel Ménard; Douglas W. Stephan","Room Temperature Reduction of CO2 to Methanol by Al-Based Frustrated Lewis Pairs and Ammonia Borane","Journal of the American Chemical Society","2010","132","","1796","1797","10.1021/ja9104792","","","0.71073","MoKα","","0.2184","0.1023","","","0.2189","0.2715","","","","","","1.018","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101899","9.1227","0.0011","18.873","0.002","20.343","0.002","90","","90","","90","","3502.5","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O4 -","- C20 H17 N O4 -","- C160 H136 N8 O32 -","8","1","","Chang Ho Oh; Swastik Karmakar; HyoSeung Park; YoungCheon Ahn; Jung Wook Kim","Domino Process in Silver-Catalyzed Reactions of N-Arylformimidates and Active Methylene Compounds Involving Cycloisomerization and 1,3-Alkenyl Shift","Journal of the American Chemical Society","2010","132","","1792","1793","10.1021/ja9106226","","","0.71073","MoKα","","0.1149","0.0565","","","0.1012","0.1282","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102089","18.934","0.004","27.616","0.006","20.473","0.005","90","","90","","90","","10705","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H66 Cl4 N4 Pd -","- C58 H66 Cl4 N4 Pd -","- C464 H528 Cl32 N32 Pd8 -","8","1","","Yasunao Miyamura; Kazushi Kinbara; Yohei Yamamoto; Vakayil K. Praveen; Kenichi Kato; Masaki Takata; Atsushi Takano; Yushu Matsushita; Eunji Lee; Myongsoo Lee; Takuzo Aida","Shape-Directed Assembly of a ""Macromolecular Barb"" into Nanofibers: Stereospecific Cyclopolymerization of Isopropylidene Diallylmalonate","Journal of the American Chemical Society","2010","132","","3292","3294","10.1021/ja910901e","","","0.7107","MoKα","","0.0742","0.0642","","","0.1104","0.1134","","","","","","1.295","","","","has coordinates,has disorder","178766","2020-10-21","18:00:00",""
"4102133","21.305","0.0004","11.085","0.0002","39.1021","0.0007","90","","90","","90","","9234.6","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Et4N)[ReVII(O)2(apPh)2]","","","- C48 H70 N3 O4 Re -","- C48 H70 N3 O4 Re -","- C384 H560 N24 O32 Re8 -","8","1","","Cameron A. Lippert; Stephen A. Arnstein; C. David Sherrill; Jake D. Soper","Redox-Active Ligands Facilitate Bimetallic O2 Homolysis at Five-Coordinate Oxorhenium(V) Centers","Journal of the American Chemical Society","2010","132","","3879","3892","10.1021/ja910500a","","","1.54178","CuKα","","0.0367","0.027","","","0.0609","0.0645","","","","","","1.022","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102242","19.5887","0.0005","16.5221","0.0004","19.8902","0.0005","90","","90","","90","","6437.4","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3 O4 P2 -","- C36 H30 Fe0.5 N3 O4 P2 -","- C288 H240 Fe4 N24 O32 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0938","0.0823","","","0.2351","0.2455","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102243","19.6091","0.0016","16.4478","0.0014","19.8447","0.0016","90","","90","","90","","6400.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C36 H30 Fe0.5 N3.5 O4.5 P2 -","- C288 H240 Fe4 N28 O36 P16 -","8","1","","Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw","Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways","Journal of the American Chemical Society","2010","132","","5290","5299","10.1021/ja100849r","","","0.71073","MoKα","","0.0998","0.0796","","","0.185","0.2003","","","","","","1.17","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102249","26.267","0.009","9.004","0.003","26.253","0.009","90","","90","","90","","6209","4","93","2","93","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H39 Cl2 N O2 S2 Zn -","- C31 H39 Cl2 N O2 S2 Zn -","- C248 H312 Cl16 N8 O16 S16 Zn8 -","8","1","","James D. Crowley; Kevin D. Hänni; David A. Leigh; Alexandra M. Z. Slawin","Diels-Alder Active-Template Synthesis of Rotaxanes and Metal-Ion-Switchable Molecular Shuttles","Journal of the American Chemical Society","2010","132","","5309","5314","10.1021/ja101029u","","","0.71073","MoKα","","0.1616","0.1293","","","0.3075","0.3398","","","","","","1.107","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102282","17.9666","0.001","17.1784","0.001","22.5151","0.0013","90","","90","","90","","6949","0.7","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Cl3 In P2 -","- C36 H30 Cl3 In P2 -","- C288 H240 Cl24 In8 P16 -","8","1","","Fu Chen; Guibin Ma; Guy M. Bernard; Ronald G. Cavell; Robert McDonald; Michael J. Ferguson; Roderick E. Wasylishen","Solid-State 115In and 31P NMR Studies of Triarylphosphine Indium Trihalide Adducts","Journal of the American Chemical Society","2010","132","","5479","5493","10.1021/ja100625p","","","0.71073","MoKα","","0.0358","0.0289","","","0.0703","0.0755","","","","","","1.068","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102319","35.413","0.003","22.233","0.003","19.854","0.005","90","","90","","90","","15632","5","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C79 H89 Cs N5 O12 -","- C76 H80 Cs N5 O9 -","- C608 H640 Cs8 N40 O72 -","8","1","","Sung Kuk Kim; Jonathan L. Sessler; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch; Laetitia H. Delmau; Benjamin P. Hay","A Calix[4]arene Strapped Calix[4]pyrrole: An Ion-Pair Receptor Displaying Three Different Cesium Cation Recognition Modes","Journal of the American Chemical Society","2010","132","","5827","5836","10.1021/ja100715e","","","0.71069","MoKα","","0.3155","0.103","","","0.1654","0.1939","","","","","","1.129","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102364","19.191","0.003","8.4088","0.001","29.802","0.004","90","","90","","90","","4809.2","1.1","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H38 Cl2 Cr N6 -","- C18 H38 Cl2 Cr N6 -","- C144 H304 Cl16 Cr8 N48 -","8","1","","Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam","An ""End-On"" Chromium(III)-Superoxo Complex: Crystallographic and Spectroscopic Characterization and Reactivity in C-H Bond Activation of Hydrocarbons","Journal of the American Chemical Society","2010","132","","5958","5959","10.1021/ja1015926","","","0.71073","MoKα","","0.1182","0.0781","","","0.2209","0.2367","","","","","","1.182","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102384","19.6843","0.0007","17.8444","0.0005","25.7736","0.0009","90","","90","","90","","9053.1","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H24 F3 N O2 -","- C28 H24 F3 N O2 -","- C448 H384 F48 N16 O32 -","16","2","","Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco","Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation","Journal of the American Chemical Society","2010","132","","6412","6418","10.1021/ja100346w","","","0.71073","MoKα","","0.082","0.047","","","0.1039","0.1205","","","","","","1.094","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102388","19.639","0.009","17.258","0.01","40.11","0.02","90","","90","","90","","13594","12","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C120 Cl12 -","- C120 Cl12 -","- C960 Cl96 -","8","1","","Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~","Journal of the American Chemical Society","2010","132","","6443","6462","10.1021/ja1005256","","","0.71073","MoKα","","0.0991","0.0845","","","0.2139","0.2295","","","","","","1.099","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102404","12.485","0.002","10.875","0.001","22.266","0.001","90","","90","","90","","3023.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Mo3 O12 Rb4 Zn -","- Mo3 O12 Rb4 Zn -","- Mo24 O96 Rb32 Zn8 -","8","1","","Rieko Ishii; Dixie Gautreaux; Keisuke Onuma; Yo Machida; Yoshiteru Maeno; Satoru Nakatsuji; Julia Y. Chan","Low-Dimensional Structure and Magnetism of the Quantum Antiferromagnet Rb4Cu(MoO4)3 and the Structure of Rb4Zn(MoO4)3","Journal of the American Chemical Society","2010","132","","7055","7061","10.1021/ja100077v","","","0.71073","MoKα","","0.0873","0.0456","","","0.0919","0.1062","","","","","","1.032","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102488","14.4572","0.0006","8.1856","0.0003","24.7724","0.0012","90","","90","","90","","2931.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Shunsuke Chiba; Line Zhang; Jian-Yuan Lee","Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere","Journal of the American Chemical Society","2010","132","","7266","7267","10.1021/ja1027327","","","0.71073","MoKα","","0.1099","0.0579","","","0.1458","0.1852","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102491","13.8529","0.0007","13.5891","0.0007","30.6143","0.0017","90","","90","","90","","5763.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H38 Cl F6 N5 P Pd -","- C25 H38 Cl F6 N5 P Pd -","- C200 H304 Cl8 F48 N40 P8 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0368","0.0266","","","0.0586","0.0639","","","","","","1.075","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102493","13.8149","0.0012","13.4404","0.0011","29.924","0.003","90","","90","","90","","5556.2","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H41 Cl N5 O4 Pd -","- C26 H41 Cl N5 O4 Pd -","- C208 H328 Cl8 N40 O32 Pd8 -","8","1","","Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica","Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity","Journal of the American Chemical Society","2010","132","","7303","7305","10.1021/ja103001g","","","0.71073","MoKα","","0.0258","0.023","","","0.0535","0.0548","","","","","","1.081","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102500","11.5057","0.0005","8.482","0.0005","19.2656","0.0012","90","","90","","90","","1880.16","0.18","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 -","- C11 H12 N2 -","- C88 H96 N16 -","8","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0738","0.043","","","0.1048","0.1225","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102543","14.37","0.0008","16.818","0.001","18.917","0.0011","90","","90","","90","","4571.8","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","JK_011","","","- C21 H36 Cl2 Ir N2 P -","- C21 H36 Cl2 Ir N2 P -","- C168 H288 Cl16 Ir8 N16 P8 -","8","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71073","MoKα","","0.0216","0.0194","","","0.0466","0.0478","","","","","","1.038","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102570","19.844","0.0002","18.8816","0.0001","30.8966","0.0003","90","","90","","90","","11576.5","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H108 B2 Li2 O2 -","- C64 H108 B2 Li2 O2 -","- C512 H864 B16 Li16 O16 -","8","1","","Yoshiaki Shoji; Tsukasa Matsuo; Daisuke Hashizume; Hiroyuki Fueno; Kazuyoshi Tanaka; Kohei Tamao","A Stable Doubly Hydrogen-Bridged Butterfly-Shaped Diborane(4) Compound","Journal of the American Chemical Society","2010","132","","8258","8260","10.1021/ja102913g","","","0.8","synchrotron","","0.1046","0.0527","","","0.1302","0.1562","","","","","","0.911","","","","has coordinates,has disorder","178771","2020-10-21","18:00:00",""
"4102605","20.708","0.01","7.698","0.004","25.356","0.012","90","","90","","90","","4042","3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-Diacetoxy-8,9-dibromo-5,12-dihydro-5,12-methanotetracene","","- C23 H16 Br2 O4 -","- C23 H16 Br2 O4 -","- C184 H128 Br16 O32 -","8","1","","Georg Jansen; Björn Kahlert; Frank-Gerrit Klärner; Roland Boese; Dieter Bläser","Intramolecular Electronic Interactions between Nonconjugated Arene and Quinone Chromophores","Journal of the American Chemical Society","2010","132","","8581","8592","10.1021/ja910362j","","","0.71073","MoKα","","0.1178","0.0376","","","0.0758","0.1008","","","","","","0.992","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102648","27.4021","0.0004","17.3999","0.0002","27.9819","0.0004","90","","90","","90","","13341.6","0.3","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H77 N Ni O P3 S3 Si3 -","- C68 H77 N Ni O P3 S3 Si3 -","- C544 H616 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.1212","0.0516","","","0.1205","0.14","","","","","","1.066","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102649","27.4736","0.0005","17.4627","0.0003","27.9844","0.0005","90","","90","","90","","13425.9","0.4","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C69 H79 N Ni O P3 S3 Si3 -","- C69 H79 N Ni O P3 S3 Si3 -","- C552 H632 N8 Ni8 O8 P24 S24 Si24 -","8","1","","Chien-Ming Lee; Chien-Hong Chen; Fu-Xing Liao; Ching-Han Hu; Gene-Hsiang Lee","Mononuclear NiIII-Alkyl Complexes (Alkyl = Me and Et): Relevance to the Acetyl-CoA Synthase and Methyl-CoM Reductase","Journal of the American Chemical Society","2010","132","","9256","9258","10.1021/ja102430d","","","0.71073","MoKα","","0.0864","0.0506","","","0.1384","0.1574","","","","","","1.038","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102713","9.776","0.002","12.704","0.003","21.986","0.005","90","","90","","90","","2730.5","1.1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C72 H144 B80 -","8","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes","Journal of the American Chemical Society","2010","132","","9988","9989","10.1021/ja1044488","","","0.71073","MoKα","","0.0902","0.0636","","","0.1623","0.191","","","","","","1.039","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102783","8.5116","0.0017","26.887","0.005","41.174","0.008","90","","90","","90","","9423","3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C54 H66 Si5 -","- C54 H66 Si5 -","- C432 H528 Si40 -","8","1","","Dominik Nied; Ralf Köppe; Wim Klopper; Hansgeorg Schnöckel; Frank Breher","Synthesis of a Pentasilapropellane. Exploring the Nature of a Stretched Silicon-Silicon Bond in a Nonclassical Molecule","Journal of the American Chemical Society","2010","132","","10264","10265","10.1021/ja104810u","","","0.71073","MoKα","","0.1069","0.098","","","0.1776","0.1813","","","","","","1.38","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102787","10.8603","0.0004","18.963","0.0007","25.9552","0.001","90","","90","","90","","5345.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H62 N8 O8 -","- C62 H62 N8 O8 -","- C248 H248 N32 O32 -","4","0.5","","José Berná; Mateo Alajarín; Raúl-Angel Orenes","Azodicarboxamides as Template Binding Motifs for the Building of Hydrogen-Bonded Molecular Shuttles","Journal of the American Chemical Society","2010","132","","10741","10747","10.1021/ja101151t","","","0.71073","MoKα","","0.1068","0.0871","","","0.1583","0.1659","","","","","","1.239","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102789","19.2068","0.0004","14.9867","0.0003","28.4503","0.0005","90","","90","","90","","8189.3","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 N P Pt -","- C41 H52 N P Pt -","- C328 H416 N8 P8 Pt8 -","8","1","","Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok","Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry","Journal of the American Chemical Society","2010","132","","10626","10627","10.1021/ja101436w","","","0.71073","MoKα","","0.1291","0.0683","","","0.1486","0.1644","","","","","","1.023","","","","has coordinates,has disorder","178773","2020-10-21","18:00:00",""
"4102856","16.6571","0.0015","10.4157","0.0009","19.8332","0.0018","90","","90","","90","","3441","0.5","125","2","125","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.0635","0.0482","","","0.1174","0.1254","","","","","","1.111","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102861","19.342","0.001","17.36","0.001","12.514","0.001","90","","90","","90","","4201.9","0.5","50","","50","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.61792","synchrotron","","0.0667","0.0411","","","0.0937","0.114","","","","","","1.026","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102862","20.012","0.001","17.27","0.001","12.711","0.001","90","","90","","90","","4393","0.5","300","","300","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H52 B2 Cu2 F8 N8 O4 -","- C36 H52 B2 Cu2 F8 N8 O4 -","- C144 H208 B8 Cu8 F32 N32 O16 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.6869","synchrotron","","0.0716","0.0565","","","0.1527","0.1696","","","","","","1.087","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102863","19.771","0.015","17.178","0.015","12.672","0.011","90","","90","","90","","4304","6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H52 Cl2 Cu2 N8 O12 -","- C36 H52 Cl2 Cu2 N8 O12 -","- C144 H208 Cl8 Cu8 N32 O48 -","4","0.5","","Atsushi Okazawa; Daisuke Hashizume; Takayuki Ishida","Ferro- and Antiferromagnetic Coupling Switch Accompanied by Twist Deformation around the Copper(II) and Nitroxide Coordination Bond","Journal of the American Chemical Society","2010","132","","11516","11524","10.1021/ja102163d","","","0.71073","MoKα","","","0.0308","","","","0.0388","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102866","11.3882","0.0003","10.7673","0.0004","20.474","0.0008","90","","90","","90","","2510.53","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","4-dehydroxy-5,5-dimethyloxyluciferin","","","- C12 H12 N2 O S2 -","- C12 H12 N2 O S2 -","- C96 H96 N16 O8 S16 -","8","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.0908","0.0447","","","0.0949","0.1089","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102944","17.5546","0.0006","16.563","0.0007","21.3249","0.0008","90","","90","","90","","6200.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H53 Ir N2 P2 -","- C29 H53 Ir N2 P2 -","- C232 H424 Ir8 N16 P16 -","8","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.1408","0.0484","","","0.0647","0.0847","","","","","","0.926","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102947","9.349","0.005","8.209","0.005","17.192","0.01","90","","90","","90","","1319.4","1.3","120","1","120","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 K N -","- B H5 K N -","- B16 H80 K16 N16 -","16","2","","Himashinie V. K. Diyabalanage; Tessui Nakagawa; Roshan P. Shrestha; Troy A. Semelsberger; Benjamin L. Davis; Brian L. Scott; Anthony K. Burrell; William I. F. David; Kate R. Ryan; Martin Owen Jones; Peter P. Edwards","Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release","Journal of the American Chemical Society","2010","132","","11836","11837","10.1021/ja100167z","","","0.71073","MoKα","","0.0764","0.0439","","","0.1405","0.1845","","","","","","0.697","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102951","9.151","0.004","20.914","0.01","23.367","0.018","90","","90","","90","","4472","5","93.1","","93.1","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Cl4 O12 Ru2 -","- C44 H48 Cl4 O12 Ru2 -","- C176 H192 Cl16 O48 Ru8 -","4","0.5","","Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar","Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System","Journal of the American Chemical Society","2010","132","","11943","11951","10.1021/ja102412g","","","0.7107","MoKα","","","0.04","","","","0.0938","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103005","15.893","0.003","13.864","0.002","19.718","0.003","90","","90","","90","","4344.7","1.2","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonmg15","","","- C19 H35 N Ni P2 S -","- C19 H35 N Ni P2 S -","- C152 H280 N8 Ni8 P16 S8 -","8","1","","Matthew R. Grochowski; Ting Li; William W. Brennessel; William D. Jones","Competitive Carbon-Sulfur vs Carbon-Carbon Bond Activation of 2-Cyanothiophene with [Ni(dippe)H]2","Journal of the American Chemical Society","2010","132","","12412","12421","10.1021/ja104158h","","","0.71073","MoKα","","0.1014","0.0483","","","0.0875","0.1056","","","","","","1.015","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103051","20.1276","0.0002","20.3135","0.0002","20.7405","0.0002","90","","90","","90","","8480","0.14","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H20 B Cu F20 N4 -","- C46 H20 B Cu F20 N4 -","- C368 H160 B8 Cu8 F160 N32 -","8","1","","Heather R. Lucas; Gerald J. Meyer; Kenneth D. Karlin","CO and O2 Binding to Pseudo-tetradentate Ligand-Copper(I) Complexes with a Variable N-Donor Moiety: Kinetic/Thermodynamic Investigation Reveals Ligand-Induced Changes in Reaction Mechanism","Journal of the American Chemical Society","2010","132","","12927","12940","10.1021/ja104107q","","","0.71073","MoKα","","0.066","0.04","","","0.0859","0.106","","","","","","1.135","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103132","14.6255","0.0012","16.4744","0.0016","20.2803","0.0018","90","","90","","90","","4886.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H19 B F10 N2 -","- C25 H19 B F10 N2 -","- C200 H152 B8 F80 N16 -","8","1","","Meghan A. Dureen; Douglas W. Stephan","Reactions of Boron Amidinates with CO2 and CO and Other Small Molecules","Journal of the American Chemical Society","2010","132","","13559","13568","10.1021/ja1064153","","","0.71073","MoKα","","0.0614","0.0374","","","0.0761","0.0875","","","","","","0.966","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103163","7.52136","0.00006","14.49051","0.00013","39.6415","0.0003","90","","90","","90","","4320.46","0.06","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C224 H208 O32 -","8","1","","Jian He; Jason L. Crase; Shriya H. Wadumethrige; Khushabu Thakur; Lin Dai; Shouzhong Zou; Rajendra Rathore; C. Scott Hartley","ortho-Phenylenes: Unusual Conjugated Oligomers with a Surprisingly Long Effective Conjugation Length","Journal of the American Chemical Society","2010","132","","13848","13857","10.1021/ja106050s","","","1.5418","CuKα","","0.0362","0.0341","","","0.0869","0.0886","","","","","","1.025","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103196","16.3668","0.0004","17.4864","0.0004","26.005","0.0006","90","","90","","90","","7442.5","0.3","193","2","193","2","","","","","","","chemical synthesis","6","P b c a","-P 2ac 2ab","61","DCP-IV-15","Bis(acetato)bis(μ~2~-acetato)-bis(10-benzo[<i>h</i>]quinolato)- dipalladium(III) bis(dichloromethane) solvate","","- C36 H32 Cl4 N2 O8 Pd2 -","- C36 H32 Cl4 N2 O8 Pd2 -","- C288 H256 Cl32 N16 O64 Pd16 -","8","1","","David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter","Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes","Journal of the American Chemical Society","2010","132","","14092","14103","10.1021/ja1036644","","","0.71073","MoKα","","0.0866","0.0428","","","0.0819","0.0969","","","","","","1.005","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103272","12.3815","0.0009","14.8062","0.001","28.388","0.002","90","","90","","90","","5204.2","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","pentanitromethane nitrosyl copper (II) hexafluorophosphate","","- C6 H18 Cu F12 N7 O13 P2 -","- C6 H18 Cu F12 N7 O13 P2 -","- C48 H144 Cu8 F96 N56 O104 P16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Structural Characterization of a Copper Nitrosyl Complex with a {CuNO}10 Configuration","Journal of the American Chemical Society","2010","132","","14336","14337","10.1021/ja105930b","","","0.71073","MoKα","","0.1014","0.0515","","","0.1281","0.1582","","","","","","0.988","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103312","13.43","0.002","20.533","0.003","34.121","0.005","90","","90","","90","","9409","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H74 B Li N4 -","- C46 H74 B Li N4 -","- C368 H592 B8 Li8 N32 -","8","1","","Yuzhong Wang; Yaoming Xie; Mariham Y. Abraham; Pingrong Wei; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","A Viable Anionic N-Heterocyclic Dicarbene","Journal of the American Chemical Society","2010","132","","14370","14372","10.1021/ja106631r","","","0.71073","MoKα","","0.2127","0.0703","","","0.1504","0.2086","","","","","","1.001","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103421","29.828","0.0009","27.8513","0.0006","32.3305","0.001","90","","90","","90","","26858.5","1.3","150","2","150","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C107 H192 Cr7 F8 Fe N O35 -","- C107 H192.001 Cr7.04 F8 Fe1.04 N O35 -","- C856.004 H1536.01 Cr56.32 F64 Fe8.32 N8 O280 -","8","1","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","x-ray","0.71073","MoKα","","0.2407","0.1114","","","0.1927","0.244","","","","","","1.228","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103429","70.178","0.004","31.5931","0.0018","31.206","0.002","90","","90","","90","","69188","7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C133 H235 Co Cr7 F8 N2 O38 -","- C133 H235 Co1.04 Cr7.04 F8 N2 O38 -","- C2128 H3760 Co16.64 Cr112.64 F128 N32 O608 -","16","2","","Beatriz Ballesteros; Thomas B. Faust; Chin-Fa Lee; David A. Leigh; Christopher A. Muryn; Robin G. Pritchard; David Schultz; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Synthesis, Structure, and Dynamic Properties of Hybrid Organic-Inorganic Rotaxanes","Journal of the American Chemical Society","2010","132","","15435","15444","10.1021/ja1074773","","","0.71073","MoKα","","0.2248","0.1447","","","0.348","0.4002","","","","","","1.261","","","","has coordinates,has disorder","178780","2020-10-21","18:00:00",""
"4103430","14.294","0.0008","13.8238","0.0007","35.2329","0.0017","90","","90","","90","","6961.9","0.6","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H25 N O W -","- C19 H25 N O W -","- C304 H400 N16 O16 W16 -","16","2","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0287","0.0253","","","0.0499","0.0508","","","","","","1.287","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103432","9.3285","0.0006","15.5488","0.0009","25.2601","0.0016","90","","90","","90","","3663.9","0.4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C160 H216 N8 O8 W8 -","8","1","","Rhett A. Baillie; Tommy Tran; Michelle E. Thibault; Peter Legzdins","A Beneficial Kinetic Effect of an η5-C5Me4H Ligand","Journal of the American Chemical Society","2010","132","","15160","15161","10.1021/ja107834g","","","0.71073","MoKα","","0.0415","0.027","","","0.0589","0.0646","","","","","","1.01","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103482","18.2696","0.0016","17.3678","0.0015","26.635","0.002","90","","90","","90","","8451.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","EuPytc3Bipy","","","- C28 H35 Cl9 Eu N5 S6 -","- C28 H35 Cl9 Eu N5 S6 -","- C224 H280 Cl72 Eu8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0626","0.0363","","","0.0903","0.1093","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103485","18.2665","0.0013","17.3854","0.0012","26.6725","0.0019","90","","90","","90","","8470.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","GdPytc3Bipy","","- C28 H35 Cl9 Gd N5 S6 -","- C28 H35 Cl9 Gd N5 S6 -","- C224 H280 Cl72 Gd8 N40 S48 -","8","1","","Rachel S. Selinsky; Jae Hyo Han; Elvin A. Morales Pérez; Ilia A. Guzei; Song Jin","Synthesis and Magnetic Properties of Gd Doped EuS Nanocrystals with Enhanced Curie Temperatures","Journal of the American Chemical Society","2010","132","","15997","16005","10.1021/ja104314c","","","0.71073","Mo-Kα","","0.0357","0.0264","","","0.0642","0.0749","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103525","15.631","0.004","12.413","0.003","18.049","0.004","90","","90","","90","","3502","1.5","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jonme10","","","- C15 H26 Br N P Rh -","- C15 H26 Br N P Rh -","- C120 H208 Br8 N8 P8 Rh8 -","8","1","","Meagan E. Evans; Ting Li; William D. Jones","C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl)","Journal of the American Chemical Society","2010","132","","16278","16284","10.1021/ja107927b","","","0.71073","MoKα","","0.1083","0.0507","","","0.0984","0.1154","","","","","","1.046","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103543","20.9533","0.001","23.2733","0.0011","54.433","0.003","90","","90","","90","","26544","2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H50 Cl4 F6 Ir2 O9 P4 S2 -","- C56.5 H47 Cl F6 Ir2 O9 P4 S2 -","- C904 H752 Cl16 F96 Ir32 O144 P64 S32 -","16","2","","Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie","The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene","Journal of the American Chemical Society","2010","132","","16544","16558","10.1021/ja106723u","","","0.71073","MoKα","","0.0893","0.058","","","0.1075","0.1165","","","","","","1.088","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103566","9.7581","0.0016","19.351","0.003","19.541","0.003","90","","90","","90","","3689.9","1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C152 H240 O32 -","8","1","","Bin Wang; Armando P. Ramirez; Justin J. Slade; James P. Morken","Enantioselective Synthesis of (-)-Sclerophytin A by a Stereoconvergent Epoxide Hydrolysis","Journal of the American Chemical Society","2010","132","","16380","16382","10.1021/ja108185z","","","0.71073","MoKα","","0.0757","0.0581","","","0.1438","0.1524","","","","","","1.053","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103580","15.6441","0.0009","12.0357","0.0007","19.9182","0.0012","90","","90","","90","","3750.4","0.4","153","2","153","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N2 O4 Pd -","- C16 H26 N2 O4 Pd -","- C128 H208 N16 O32 Pd8 -","8","1","","Peter Hauwert; Romilda Boerleider; Stefan Warsink; Jan J. Weigand; Cornelis J. Elsevier","Mechanism of Pd(NHC)-Catalyzed Transfer Hydrogenation of Alkynes","Journal of the American Chemical Society","2010","132","","16900","16910","10.1021/ja1062407","","","0.71073","MoKα","","0.0312","0.0224","","","0.0506","0.0544","","","","","","1.024","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103590","10.922","0.002","15.497","0.003","21.965","0.004","90","","90","","90","","3717.8","1.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C168 H192 O48 -","8","1","","Jianxian Gong; Guang Lin; Wenbo Sun; Chuang-Chuang Li; Zhen Yang","Total Synthesis of (\±) Maoecrystal V","Journal of the American Chemical Society","2010","132","","16745","16746","10.1021/ja108907x","","","0.71073","MoKα","","0.0966","0.0396","","","0.0649","0.0854","","","","","","0.779","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103602","9.3989","0.0004","7.9263","0.0003","15.2618","0.0006","90","","90","","90","","1136.98","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ANTX","ammonium 5-nitro-2H-tetrazol-2-olate","","- C H4 N6 O3 -","- C H4 N6 O3 -","- C8 H32 N48 O24 -","8","1","","Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer","Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction","Journal of the American Chemical Society","2010","132","","17216","17226","10.1021/ja106892a","","","0.71073","MoKα","","0.0336","0.0259","","","0.0638","0.0659","","","","","","0.958","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103655","15.924","0.002","16.524","0.003","20.318","0.003","90","","90","","90","","5346.2","1.4","125.2","","125.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H40 N2 Yb -","- C31 H40 N2 Yb -","- C248 H320 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.7107","MoKα","","0.0883","0.037","","0.0488","","0.0395","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103657","18.0976","0.0018","15.994","0.0016","19.676","0.002","90","","90","","90","","5695.3","1","156","2","156","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyb5dmb","cyb5","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C256 H336 N16 Yb8 -","8","1","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.0392","0.0266","","","0.0574","0.0628","","","","","","1.016","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103658","23.847","0.002","15.177","0.0015","31.291","0.003","90","","90","","90","","11325","1.8","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 N2 Yb -","- C34 H41.5 N2 Yb -","- C544 H664 N32 Yb16 -","16","2","","Corwin H. Booth; Daniel Kazhdan; Evan L. Werkema; Marc D. Walter; Wayne W. Lukens; Eric D. Bauer; Yung-Jin Hu; Laurent Maron; Odile Eisenstein; Martin Head-Gordon; Richard A. Andersen","Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines","Journal of the American Chemical Society","2010","132","","17537","17549","10.1021/ja106902s","","","0.71073","MoKα","","0.118","0.0507","","","0.1002","0.1205","","","","","","0.98","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103715","14.9355","0.0013","14.682","0.003","24.174","0.002","90","","90","","90","","5300.9","1.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 Br2 O2 Si4 Zr -","- C18 H30 Br2 O2 Si4 Zr -","- C144 H240 Br16 O16 Si32 Zr8 -","8","1","","Aaron J. Rossini; Ivan Hung; Samuel A. Johnson; Carla Slebodnick; Mike Mensch; Paul A. Deck; Robert W. Schurko","Solid-State 91Zr NMR Spectroscopy Studies of Zirconocene Olefin Polymerization Catalyst Precursors","Journal of the American Chemical Society","2010","132","","18301","18317","10.1021/ja107749b","","","0.71073","MoKα","","0.12","0.0508","","","0.0788","0.0966","","","","","","0.993","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103794","19.862","0.003","9.3987","0.0013","22.279","0.003","90","","90","","90","","4159","1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H28 O4 -","- C24 H28 O4 -","- C192 H224 O32 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.0722","0.0459","","","0.1143","0.1327","","","","","","1.056","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103795","11.765","0.004","15.839","0.005","22.419","0.007","90","","90","","90","","4178","2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H24 O6 -","- C24 H24 O6 -","- C192 H192 O48 -","8","1","","Andrew DeAngelis; Michael T. Taylor; Joseph M. Fox","Unusually Reactive and Selective Carbonyl Ylides for Three-Component Cycloaddition Reactions","Journal of the American Chemical Society","2009","131","","1101","1105","10.1021/ja807184r","","","0.71073","MoKα","","0.1157","0.0529","","","0.1128","0.1385","","","","","","1.008","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103798","29.658","0.002","21.8217","0.0011","29.9635","0.0015","90","","90","","90","","19392","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C104 H104 Li2 O2 P6 S6 U -","- C104 H104 Li2 O2 P6 S6 U -","- C832 H832 Li16 O16 P48 S48 U8 -","8","1","","Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles","The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes","Journal of the American Chemical Society","2009","131","","963","972","10.1021/ja807282s","","","0.71073","MoKα","","0.129","0.0889","","","0.2145","0.2266","","","","","","1.096","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103826","6.3237","0.0005","12.1777","0.0009","14.7397","0.0011","90","","90","","90","","1135.08","0.15","157","2","157","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- Br4 Tc -","- Br4 Tc -","- Br32 Tc8 -","8","1","","Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski","Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4","Journal of the American Chemical Society","2009","131","","910","911","10.1021/ja808597r","","","0.71073","MoKα","","0.0306","0.0216","","","0.0441","0.0466","","","","","","1.071","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103832","11.035","0.002","10.918","0.002","25.983","0.005","90","","90","","90","","3130.4","1","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","- C128 H144 N16 S16 -","4","0.5","","Vivian Wing-Wah Yam; Jason Ka-Wai Lee; Chi-Chiu Ko; Nianyong Zhu","Photochromic Diarylethene-Containing Ionic Liquids and N-Heterocyclic Carbenes","Journal of the American Chemical Society","2009","131","","912","913","10.1021/ja808791e","","","0.71073","MoKα","","0.0868","0.0397","","","0.0856","0.0973","","","","","","0.883","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103839","8.999","","18.435","","34.463","","90","","90","","90","","5717.29","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N5 O3 Os -","- C30 H23 N5 O3 Os -","- C240 H184 N40 O24 Os8 -","8","1","","Subhas Samanta; Sreebrata Goswami","Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template","Journal of the American Chemical Society","2009","131","","924","925","10.1021/ja808901s","","","0.71073","MoKα","","0.1509","0.0874","","","0.1607","0.1832","","","","","","1.125","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4103852","13.5549","0.0002","15.6338","0.0003","18.5732","0.0003","90","","90","","90","","3935.93","0.11","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 Al N2 O4 -","- C23 H19 Al N2 O4 -","- C184 H152 Al8 N16 O32 -","8","1","","Victor A. Montes; Grigory V. Zyryanov; Evgeny Danilov; Neeraj Agarwal; Manuel A. Palacios; Pavel Anzenbacher","Ultrafast Energy Transfer in Oligofluorene-Aluminum Bis(8-hydroxyquinoline)acetylacetone Coordination Polymers","Journal of the American Chemical Society","2009","131","","1787","1795","10.1021/ja805175w","","","0.71073","MoKα","","0.0942","0.0539","","","0.0927","0.1032","","","","","","1.121","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4103921","11.2443","0.0002","10.0849","0.0002","21.2607","0.0004","90","","90","","90","","2410.91","0.08","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C96 H80 N16 O16 S16 -","8","1","","Takashi Hirano; Yosuke Hasumi; Kazuhiro Ohtsuka; Shojiro Maki; Haruki Niwa; Minoru Yamaji; Daisuke Hashizume","Spectroscopic Studies of the Light-Color Modulation Mechanism of Firefly (Beetle) Bioluminescence","Journal of the American Chemical Society","2009","131","","2385","2396","10.1021/ja808836b","","","0.71073","MoKα","","0.0458","0.0317","","","0.0753","0.0812","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103924","12.8333","0.0006","9.9404","0.0005","34.8473","0.0015","90","","90","","90","","4445.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O S -","- C26 H28 N O2 S -","- C208 H224 N8 O16 S8 -","8","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0711","0.0493","","","0.1208","0.1333","","","","","","1.044","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103970","8.7189","0.0002","20.6162","0.0005","30.8439","0.0006","90","","90","","90","","5544.2","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H33 Br Mg O2 -","- C32 H33 Br Mg O2 -","- C256 H264 Br8 Mg8 O16 -","8","1","","Sven Krieck; Helmar Görls; Lian Yu; Markus Reiher; Matthias Westerhausen","Stable ""Inverse"" Sandwich Complex with Unprecedented Organocalcium(I): Crystal Structures of [(thf)2Mg(Br)-C6H2-2,4,6-Ph3] and [(thf)3Ca{μ-C6H3-1,3,5-Ph3}Ca(thf)3]","Journal of the American Chemical Society","2009","131","","2977","2985","10.1021/ja808524y","","","0.71073","MoKα","","0.096","0.0456","","","0.0859","0.1014","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103979","14.028","0.003","14.204","0.003","18.556","0.004","90","","90","","90","","3697.4","1.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","08045m","","","- C12 H24 Cu F3 N4 O3 S -","- C12 H24 Cu F3 N4 O3 S -","- C96 H192 Cu8 F24 N32 O24 S8 -","8","1","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.0754","0.0386","","","0.082","0.1003","","","","","","1.091","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4104004","10.6478","0.0003","16.6197","0.0004","26.3441","0.0004","90","","90","","90","","4661.94","0.19","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Cl6 N2 P3 -","- C18 H15 Cl6 N2 P3 -","- C144 H120 Cl48 N16 P24 -","8","1","","Vivienne Blackstone; Alan J. Lough; Martin Murray; Ian Manners","Probing the Mechanism of the PCl5-Initiated Living Cationic Polymerization of the Phosphoranimine Cl3P=NSiMe3 using Model Compound Chemistry","Journal of the American Chemical Society","2009","131","","3658","3667","10.1021/ja808517d","","","0.71073","MoKα","","0.0888","0.0459","","","0.1015","0.1218","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104036","8.1385","0.0002","18.5203","0.0006","20.3914","0.0006","90","","90","","90","","3073.54","0.15","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C144 H120 N8 O16 S8 -","8","1","","Xiaodan Zhao; Elena Dimitrijević; Vy M. Dong","Palladium-Catalyzed C-H Bond Functionalization with Arylsulfonyl Chlorides","Journal of the American Chemical Society","2009","131","","3466","3467","10.1021/ja900200g","","","","","","","","","","","","","","","","","","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104146","15.529","0.003","17.296","0.004","20.897","0.004","90","","90","","90","","5613","2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H43 N3 Si -","- C29 H43 N3 Si -","- C232 H344 N24 Si8 -","8","1","","Anukul Jana; Carola Schulzke; Herbert W. Roesky","Oxidative Addition of Ammonia at a Silicon(II) Center and an Unprecedented Hydrogenation Reaction of Compounds with Low-Valent Group 14 Elements Using Ammonia Borane","Journal of the American Chemical Society","2009","131","","4600","4601","10.1021/ja900880z","","","0.71073","MoKα","","0.0782","0.0625","","","0.1443","0.1523","","","","","","1.112","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104232","11.8724","0.0003","22.1908","0.0005","39.4936","0.0013","90","","90","","90","","10404.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Brom-penta(di-tert.-butylphosphan)alan(4)","","","- C40 H90 Al4 Br P5 -","- C40 H90 Al4 Br P5 -","- C320 H720 Al32 Br8 P40 -","8","1","","Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel","Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters","Journal of the American Chemical Society","2009","131","","5698","5704","10.1021/ja9007563","","","0.71073","MoKα","","0.0563","0.0447","","","0.1093","0.1163","","","","","","1.059","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104266","16.267","0.0013","14.9046","0.0011","26.8138","0.0018","90","","90","","90","","6501.1","0.8","100","0.2","100","0.2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C29 H42 Cl Gd N4 O13 -","- C29 H42 Cl Gd N4 O13 -","- C232 H336 Cl8 Gd8 N32 O104 -","8","1","","Adrián Roca-Sabio; Marta Mato-Iglesias; David Esteban-Gómez; Éva Tóth; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas","Macrocyclic Receptor Exhibiting Unprecedented Selectivity for Light Lanthanides","Journal of the American Chemical Society","2009","131","","3331","3341","10.1021/ja808534w","","x-ray","0.71073","MoKα","","0.067","0.0293","","","0.0525","0.0637","","","","","","1.018","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104271","15.2986","0.0002","17.1817","0.0003","21.8206","0.0004","90","","90","","90","","5735.67","0.16","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H40 Cl N O P2 Ru -","- C28 H40 Cl N O P2 Ru -","- C224 H320 Cl8 N8 O8 P16 Ru8 -","8","1","","Chidambaram Gunanathan; Linda J. W. Shimon; David Milstein","Direct Conversion of Alcohols to Acetals and H2 Catalyzed by an Acridine-Based Ruthenium Pincer Complex","Journal of the American Chemical Society","2009","131","","3146","3147","10.1021/ja808893g","","","0.71073","MoKα","","0.054","0.0356","","","0.0863","0.0928","","","","","","1.074","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104295","8.0637","0.0007","12.3948","0.0011","31.67","0.003","90","","90","","90","","3165.4","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea","Selective Vinyl C-H Lithiation of cis-Stilbenes","Journal of the American Chemical Society","2009","131","","3142","3143","10.1021/ja809941n","","","0.71073","MoKα","","0.0437","0.0356","","","0.0831","0.0871","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104302","16.823","0.0004","15.869","0.0007","17.917","0.0008","90","","90","","90","","4783.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","pentafluorophenyltetrahedrane","","- C19 H27 F5 Si3 -","- C19 H27 F5 Si3 -","- C152 H216 F40 Si24 -","8","1","","Masaaki Nakamoto; Yusuke Inagaki; Motoaki Nishina; Akira Sekiguchi","Perfluoroaryltetrahedranes: Tetrahedranes with Extended σ-π Conjugation","Journal of the American Chemical Society","2009","131","","3172","3173","10.1021/ja810055w","","","0.7107","MoKα","","0.0684","0.0496","","","0.1311","0.1455","","","","","","1.046","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104479","16.692","0.0006","15.0251","0.0006","17.9256","0.0006","90","","90","","90","","4495.7","0.3","298.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 -","- C27 H28 N4 -","- C216 H224 N32 -","8","1","","Shenyong Ren; Eri Igarashi; Kiyohiko Nakajima; Ken-ichiro Kanno; Tamotsu Takahashi","Coupling of the R-Cp or Indenyl Ligand with the Diene Moiety of Bis(substituted cyclopentadienyl)- or Bis(indenyl)zirconacyclopentadienes","Journal of the American Chemical Society","2009","131","","7492","7493","10.1021/ja809401s","","","0.71075","MoKα","","","0.0714","","","","0.0682","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104480","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104482","12.4326","0.0002","28.4196","0.0007","36.7682","0.0009","90","","90","","90","","12991.3","0.5","150","1","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F3 N O3 P2 S Si -","- C12 H30 F3 N O3 P2 S Si -","- C288 H720 F72 N24 O72 P48 S24 Si24 -","24","3","","Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners","Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+","Journal of the American Chemical Society","2009","131","","7905","7916","10.1021/ja900256g","","","0.71073","MoKα","","0.1022","0.053","","","0.1115","0.1303","","","","","","1.014","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104613","11.5854","0.0005","17.7525","0.0006","22.9995","0.0008","90","","90","","90","","4730.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H28 Cl3 F6 Pd Sb -","- C19 H28 Cl3 F6 Pd Sb -","- C152 H224 Cl24 F48 Pd8 Sb8 -","8","1","","Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart","γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights","Journal of the American Chemical Society","2009","131","","9055","9069","10.1021/ja9025598","","","1.54178","CuKα","","0.0562","0.0483","","","0.1187","0.1234","","","","","","1.081","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104670","10.4063","0.0004","15.4367","0.0005","27.923","0.001","90","","90","","90","","4485.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B10 Cl Pd S2 -","- C16 H23 B10 Cl Pd S2 -","- C128 H184 B80 Cl8 Pd8 S16 -","8","1","","Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin","Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes","Journal of the American Chemical Society","2009","131","","9482","9483","10.1021/ja902526k","","","0.71073","MoKα","","0.0578","0.0495","","","0.1073","0.1166","","","","","","1.239","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104679","17.0118","0.0011","19.5103","0.0011","18.357","0.0011","90","","90","","90","","6092.8","0.6","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B Li N2 O2 -","- C30 H46 B Li N2 O2 -","- C240 H368 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.71069","MoKα","","0.1036","0.0814","","","0.2329","0.2575","","","","","","1.071","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104680","11.5625","0.001","19.603","0.002","28.941","0.002","90","","90","","90","","6559.8","1","103.15","","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H52 B Li N2 O2 -","- C34 H52 B Li N2 O2 -","- C272 H416 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0892","0.0874","","","0.1634","0.1642","","","","","","1.223","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104718","15.278","0.003","23.227","0.005","34.895","0.007","90","","90","","90","","12383","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.2 H32.8 Cu4 F18 N4 O13 -","- C52.2 H28 Cu4 F18 N4 O13 -","- C417.6 H224 Cu32 F144 N32 O104 -","8","1","","Andrew Ozarowski; Iwona B. Szymańska; Tadeusz Muzioł; Julia Jezierska","High-Field EPR and Magnetic Susceptibility Studies on Binuclear and Tetranuclear Copper Trifluoroacetate Complexes. X-ray Structure Determination of Three Tetranuclear Quinoline Adducts of Copper(II) Trifluoroacetate","Journal of the American Chemical Society","2009","131","","10279","10292","10.1021/ja902695y","","","0.71073","MoKα","","0.1098","0.1049","","","0.2294","0.233","","","","","","1.266","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104754","9.219","0.0002","20.3427","0.0005","34.1942","0.0009","90","","90","","90","","6412.8","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dimesityl-2-(2',3',4',5'-tetraethylphospholyl)- 4,5-dimethyl-dihydro-1,3,2-diazaphosphole","","- C34 H48 N2 P2 -","- C34 H48 N2 P2 -","- C272 H384 N16 P16 -","8","1","","Sebastian Burck; Kathrin Götz; Martin Kaupp; Martin Nieger; Johannes Weber; Jörn Schmedt auf der Günne; Dietrich Gudat","Diphosphines with Strongly Polarized P-P Bonds: Hybrids between Covalent Molecules and Donor-Acceptor Adducts with Flexible Molecular Structures","Journal of the American Chemical Society","2009","131","","10763","10774","10.1021/ja903156p","","","0.71073","MoKα","","0.1608","0.0978","","","0.1581","0.1833","","","","","","1.161","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104771","7.713","0.005","14.863","0.005","31.233","0.005","90","","90","","90","","3580","3","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C184 H168 N8 O24 -","8","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71069","MoKα","","0.0969","0.0781","","","0.192","0.1995","","","","","","1.172","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104937","12.8722","0.0009","13.3804","0.0009","32.718","0.002","90","","90","","90","","5635.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 Au N3 P -","- C32 H27 Au N3 P -","- C256 H216 Au8 N24 P8 -","8","1","","Haifeng Duan; Sujata Sengupta; Jeffrey L. Petersen; Novruz G. Akhmedov; Xiaodong Shi","Triazole-Au(I) Complexes: A New Class of Catalysts with Improved Thermal Stability and Reactivity for Intermolecular Alkyne Hydroamination","Journal of the American Chemical Society","2009","131","","12100","12102","10.1021/ja9041093","","","0.71073","MoKα","","0.0423","0.0301","","","0.0751","0.0841","","","","","","1.051","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4105041","18.8285","0.0004","6.94145","0.00016","6.84492","0.00016","90","","90","","90","","894.61","0.03","180","","","","","","","","","","Aldrich Chemical Co. ND3 + D2O","3","P b c a","-P 2ac 2ab","61","ammonia monohydrate","","","- D5 N O -","- D5 N O -","- D80 N16 O16 -","16","2","","Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.","Crystal Structure of Ammonia Monohydrate Phase II","Journal of the American Chemical Society","2009","131","37","13508","13515","10.1021/ja9052569","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","181961","2020-10-21","18:00:00",""
"4105066","8.3245","0.0005","22.2396","0.0012","28.9822","0.0016","90","","90","","90","","5365.6","0.5","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Nd Si3 -","- C24 H39 Nd Si3 -","- C192 H312 Nd8 Si24 -","8","1","","Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold","A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure","Journal of the American Chemical Society","2009","131","","13767","13783","10.1021/ja904565j","","","0.71073","MoKα","","0.0573","0.0349","","","0.0691","0.0765","","","","","","1.006","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105073","10.3296","0.0007","19.3034","0.0012","21.659","0.0014","90","","90","","90","","4318.7","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CpSc(CH2SiMe3)2(thf)","","","- C17 H35 O Sc Si2 -","- C17 H35 O Sc Si2 -","- C136 H280 O8 Sc8 Si16 -","8","1","","Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou","Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls","Journal of the American Chemical Society","2009","131","","13870","13882","10.1021/ja9056213","","","0.71073","MoKα","","0.0586","0.0433","","","0.1172","0.1241","","","","","","1.011","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105084","13.566","0.004","15.65","0.005","29.776","0.009","90","","90","","90","","6322","3","103","2","103","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl4 N O5 P Pd S -","- C28 H28 Cl4 N O5 P Pd S -","- C224 H224 Cl32 N8 O40 P8 Pd8 S8 -","8","1","","Shusuke Noda; Akifumi Nakamura; Takuya Kochi; Lung Wa Chung; Keiji Morokuma; Kyoko Nozaki","Mechanistic Studies on the Formation of Linear Polyethylene Chain Catalyzed by Palladium Phosphine-Sulfonate Complexes: Experiment and Theoretical Studies","Journal of the American Chemical Society","2009","131","","14088","14100","10.1021/ja9047398","","","0.7107","MoKα","","0.0396","0.0372","","","0.0914","0.093","","","","","","1.11","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105085","11.595","0.0007","14.7764","0.0009","29.2387","0.0018","90","","90","","90","","5009.5","0.5","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H44 B2 K N O6 -","- C18 H44 B2 K N O6 -","- C144 H352 B16 K8 N8 O48 -","8","1","","Daniel W. Himmelberger; Chang Won Yoon; Martin E. Bluhm; Patrick J. Carroll; Larry G. Sneddon","Base-Promoted Ammonia Borane Hydrogen-Release","Journal of the American Chemical Society","2009","131","","14101","14110","10.1021/ja905015x","","","0.71073","MoKα","","0.0459","0.0374","","","0.0892","0.0943","","","","","","1.031","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105122","33.486","0.011","17.521","0.006","38.95","0.013","90","","90","","90","","22852","13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Fe2(O)(O2CAriPrO)BPG2DEV](ClO4)","","","- C55.5 H59.44 Cl2.56 Fe2 N6 O16.97 -","- C55.5 H59.443 Cl2.557 Fe2 N6 O16.9715 -","- C888 H951.088 Cl40.912 Fe32 N96 O271.544 -","16","2","","Simone Friedle; Jeremy J. Kodanko; Anna J. Morys; Takahiro Hayashi; Pierre Moënne-Loccoz; Stephen J. Lippard","Modeling the Syn Disposition of Nitrogen Donors in Non-Heme Diiron Enzymes. Synthesis, Characterization, and Hydrogen Peroxide Reactivity of Diiron(III) Complexes with the Syn N-Donor Ligand H2BPG2DEV","Journal of the American Chemical Society","2009","131","","14508","14520","10.1021/ja906137y","","","0.71073","MoKα","","0.0993","0.0702","","","0.1817","0.2052","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105133","18.846","0.0006","17.5996","0.0005","27.546","0.0008","90","","90","","90","","9136.5","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H72 Ir N O P2 Si -","- C47 H72 Ir N O P2 Si -","- C376 H576 Ir8 N8 O8 P16 Si8 -","8","1","","Erin Morgan; Darren F. MacLean; Robert McDonald; Laura Turculet","Rhodium and Iridium Amido Complexes Supported by Silyl Pincer Ligation: Ammonia N-H Bond Activation by a [PSiP]Ir Complex","Journal of the American Chemical Society","2009","131","","14234","14236","10.1021/ja906646v","","","0.71073","MoKα","","0.0423","0.0236","","","0.0523","0.0618","","","","","","1.088","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105201","13.9454","0.0017","15.3124","0.0016","25.567","0.003","90","","90","","90","","5459.5","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Lithium bis(tetramethylethylenediamine) hexamethyl Uranium(IV)","","- C18 H50 Li2 N4 U -","- C18 H38 Li2 N4 U -","- C144 H304 Li16 N32 U8 -","8","1","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.1031","0.0568","","","0.129","0.1528","","","","","","1.075","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105207","12.589","0.002","14.928","0.003","15.567","0.003","90","","90","","90","","2925.5","0.9","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C120 H160 N16 S8 -","8","1","","Zitao Wang; Yang Wang; Wen-Xiong Zhang; Zhaomin Hou; Zhenfeng Xi","Efficient One-Pot Synthesis of 2,3-Dihydropyrimidinthiones via Multicomponent Coupling of Terminal Alkynes, Elemental Sulfur, and Carbodiimides","Journal of the American Chemical Society","2009","131","","15108","15109","10.1021/ja9069419","","","0.71073","MoKα","","0.0704","0.0379","","","0.0661","0.0713","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105228","14.356","0.009","14.579","0.009","30.45","0.018","90","","90","","90","","6373","7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C28.2 H42.4 B2 F4 N7 O0.4 Os P -","- C225.6 H339.2 B16 F32 N56 O3.2 Os8 P8 -","8","1","","Ruth Castro-Rodrigo; Miguel A. Esteruelas; Sara Fuertes; Ana M. López; Fernando López; José L. Mascareñas; Silvia Mozo; Enrique Oñate; Lucía Saya; Lara Villarino","Formation of Osmium- and Ruthenium-Cyclobutylidene Complexes by Ring Expansion of Alkylidenecyclopropanes","Journal of the American Chemical Society","2009","131","","15572","15573","10.1021/ja904893j","","","0.71073","MoKα","","0.0833","0.0641","","","0.112","0.1182","","","","","","1.226","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105342","10.1169","0.0002","14.662","0.0003","21.1692","0.0005","90","","90","","90","","3140.11","0.12","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Philip Magnus; Neeraj Sane; Benjamin P. Fauber; Vince Lynch","Concise Syntheses of (-)-Galanthamine and (\±)-Codeine via Intramolecular Alkylation of a Phenol Derivative","Journal of the American Chemical Society","2009","131","","16045","16047","10.1021/ja9085534","","","0.71073","MoKα","","0.0793","0.048","","","0.1134","0.1307","","","","","","0.988","","","","has coordinates,has disorder","178799","2020-10-21","18:00:00",""
"4105353","9.0828","0.0018","20.691","0.004","25.599","0.005","90","","90","","90","","4810.9","1.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H22 Cl3 N3 Pt -","- C25 H22 Cl3 N3 Pt -","- C200 H176 Cl24 N24 Pt8 -","8","1","","Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin","Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures","Journal of the American Chemical Society","2009","131","","16398","16400","10.1021/ja907297z","","","0.71073","MoKα","","0.1012","0.0648","","","0.1437","0.162","","","","","","1.088","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105422","7.882","0.0012","13.881","0.002","31.693","0.005","90","","90","","90","","3467.5","0.9","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H26 Br N O2 -","- C19 H26 Br N O2 -","- C152 H208 Br8 N8 O16 -","8","1","","Thomas J. Maimone; Jun Shi; Shinji Ashida; Phil S. Baran","Total Synthesis of Vinigrol","Journal of the American Chemical Society","2009","131","","17066","17067","10.1021/ja908194b","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105427","9.443","0.0008","21.3341","0.0018","27.253","0.002","90","","90","","90","","5490.3","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Cd N10 O9 -","- C26 H26 Cd N10 O9 -","- C208 H208 Cd8 N80 O72 -","8","1","","Lei-lei Tian; Chun Wang; Sandipan Dawn; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Macrocycles with Switchable exo/endo Metal Binding Sites","Journal of the American Chemical Society","2009","131","","17620","17629","10.1021/ja906474z","","","0.7749","synchrotron","","0.0645","0.0379","","","0.0906","0.1042","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105450","17.807","0.0004","17.9537","0.0003","31.5222","0.0008","90","","90","","90","","10077.7","0.4","123.1","","123.1","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H44 Cl16 Ga4 P4 -","- C24 H44 Cl16 Ga4 P4 -","- C192 H352 Cl128 Ga32 P32 -","8","1","","Jan J. Weigand; Neil Burford; Reagan J. Davidson; T. Stanley Cameron; Patrick Seelheim","New Synthetic Procedures to Catena-Phosphorus Cations: Preparation and Dissociation of the First cyclo-Phosphino-halophosphonium Salts","Journal of the American Chemical Society","2009","131","","17943","17953","10.1021/ja907693f","","","0.7107","MoKα","","","0.0478","","","","0.0593","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105556","14.33","0.006","19.457","0.008","26.718","0.01","90","","90","","90","","7449","5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 3","","","- C33.5 H41.5 N2 O5 Sn W -","- C33.5 H41.5 N2 O5 Sn W -","- C268 H332 N16 O40 Sn8 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0489","0.0446","","","0.1565","0.16","","","","","","1.173","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105557","14.6626","0.0005","19.5017","0.0006","26.3383","0.0008","90","","90","","90","","7531.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","compound 5","","","- C36 H46 Ge N2 O6 W -","- C36 H46 Ge N2 O6 W -","- C288 H368 Ge8 N16 O48 W8 -","8","1","","S. M. Ibrahim Al-Rafia; Adam C. Malcolm; Sean K. Liew; Michael J. Ferguson; Eric Rivard","Stabilization of the Heavy Methylene Analogues, GeH2 and SnH2, within the Coordination Sphere of a Transition Metal","Journal of the American Chemical Society","2011","133","","777","779","10.1021/ja1106223","","","0.71073","MoKα","","0.0224","0.0175","","","0.0447","0.0474","","","","","","1.037","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105571","11.458","0.0004","15.084","0.0003","18.391","0.0006","90","","90","","90","","3178.56","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H13 O P S -","- C20 H13 O P S -","- C160 H104 O8 P8 S8 -","8","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0703","0.0525","","","0.1462","0.1604","","","","","","1.201","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105618","20.62","0.0017","20.3363","0.0016","25.951","0.002","90","","90","","90","","10882.1","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H66 Cl8 N12 O4 Pd2 -","- C46 H66 Cl8 N12 O4 Pd2 -","- C368 H528 Cl64 N96 O32 Pd16 -","8","1","","Gary Jing Chuang; Weike Wang; Eunsung Lee; Tobias Ritter","A Dinuclear Palladium Catalyst for α-Hydroxylation of Carbonyls with O2","Journal of the American Chemical Society","2011","133","","1760","1762","10.1021/ja108396k","","","0.71073","MoKα","","0.0295","0.0218","","","0.0496","0.0543","","","","","","1.051","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105630","11.288","0.002","14.489","0.003","20.884","0.004","90","","90","","90","","3415.6","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O4 S -","- C19 H21 N O4 S -","- C152 H168 N8 O32 S8 -","8","1","","Mu Lin; Feng Li; Lei Jiao; Zhi-Xiang Yu","Rh(I)-Catalyzed Formal [5 + 1]/[2 + 2 + 1] Cycloaddition of 1-Yne-vinylcyclopropanes and Two CO Units: One-Step Construction of Multifunctional Angular Tricyclic 5/5/6 Compounds","Journal of the American Chemical Society","2011","133","","1690","1693","10.1021/ja110039h","","","0.71073","MoKα","","0.0559","0.0517","","","0.1131","0.1157","","","","","","1.193","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105676","21.071","0.004","18.061","0.003","10.7728","0.0014","90","","90","","90","","4099.7","1.2","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 -","- C26 H22 O6 -","- C208 H176 O48 -","8","1","","Pablo Wessig; Annika Matthes","Preparation of Strained Axially Chiral (1,5)Naphthalenophanes by Photo-dehydro-Diels-Alder Reaction","Journal of the American Chemical Society","2011","133","","2642","2650","10.1021/ja109118m","","","0.71073","MoKα","","0.0339","0.0288","","","0.0757","0.0775","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105718","19.3556","0.0007","14.2399","0.0004","19.9777","0.0006","90","","90","","90","","5506.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H41 N2 P Si3 -","- C21 H41 N2 P Si3 -","- C168 H328 N16 P8 Si24 -","8","1","","Shigeyoshi Inoue; Wenyuan, Wang; Carsten Präsang; Matthew Asay; Elisabeth Irran; Matthias Driess","An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene","Journal of the American Chemical Society","2011","133","","2868","2871","10.1021/ja200462y","","","0.71073","MoKα","","0.127","0.0571","","","0.0889","0.1032","","","","","","0.906","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105798","9.5249","0.0002","20.4922","0.0004","26.6299","0.0005","90","","90","","90","","5197.79","0.18","140","2","140","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H24 Cl3 N O2 Pt S -","- C27 H24 Cl3 N O2 Pt S -","- C216 H192 Cl24 N8 O16 Pt8 S8 -","8","1","","Emmanuel Anger; Mark Rudolph; Chengshuo Shen; Nicolas Vanthuyne; Loïc Toupet; Christian Roussel; Jochen Autschbach; Jeanne Crassous; Régis Réau","From Hetero- to Homochiral Bis(metallahelicene)s Based on a PtIII-PtIII Bonded Scaffold: Isomerization, Structure, and Chiroptical Properties","Journal of the American Chemical Society","2011","133","","3800","3803","10.1021/ja200129y","","","0.71073","MoKα","","0.0556","0.035","","","0.069","0.0787","","","","","","1.078","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105912","8.4998","0.0006","7.2826","0.0005","27.425","0.003","90","","90","","90","","1697.6","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H16 I16 K8 O72 V8 -","8","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.023","0.0217","","","0.0444","0.045","","","","","","1.205","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105933","17.339","0.006","14.752","0.006","18.507","0.007","90","","90","","90","","4734","3","85","1","85","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br4 N6 S0 Zn2 -","- C18 H12 Br4 N6 Zn2 -","- C144 H96 Br32 N48 Zn16 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","","","0.71073","MoKα","","0.034","0.022","","","0.0454","0.0483","","","","","","1.025","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105936","23.089","0.002","22.702","0.002","15.646","0.001","90","","90","","90","","8201.1","1.1","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 Br6 N12 O Zn3 -","- C36 Br6 N12 Zn3 -","- C288 Br48 N96 Zn24 -","8","1","","Javier Martí-Rujas; Nazrul Islam; Daisuke Hashizume; Fujio Izumi; Makoto Fujita; Masaki Kawano","Dramatic Structural Rearrangements in Porous Coordination Networks","Journal of the American Chemical Society","2011","133","","5853","5860","10.1021/ja109160a","powder diffraction","","1.3","Synchrotron","","","0.0399","","","0.0539","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106037","14.6676","0.0008","18.9334","0.0011","27.3174","0.0016","90","","90","","90","","7586.2","0.8","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H45 F6 Ir N5 O P -","- C37 H45 F6 Ir N5 O P -","- C296 H360 F48 Ir8 N40 O8 P8 -","8","1","","Michael J. Cowley; Ralph W. Adams; Kevin D. Atkinson; Martin C. R. Cockett; Simon B. Duckett; Gary G. R. Green; Joost A. B. Lohman; Rainer Kerssebaum; David Kilgour; Ryan E. Mewis","Iridium N-Heterocyclic Carbene Complexes as Efficient Catalysts for Magnetization Transfer frompara-Hydrogen","Journal of the American Chemical Society","2011","133","","6134","6137","10.1021/ja200299u","","","0.71073","MoKα","","0.0447","0.031","","","0.0736","0.0815","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106043","20.8569","0.0004","7.807","0.0002","22.9581","0.0007","90","","90","","90","","3738.26","0.17","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C184 H216 N8 O16 -","8","1","","Yi-Feng Wang; Kah Kah Toh; Eileen Pei Jian Ng; Shunsuke Chiba","Mn(III)-Mediated Formal [3+3]-Annulation of Vinyl Azides and Cyclopropanols: A Divergent Synthesis of Azaheterocycles","Journal of the American Chemical Society","2011","133","","6411","6421","10.1021/ja200879w","","","0.71073","MoKα","","0.0739","0.0594","","","0.1371","0.144","","","","","","1.119","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106078","12.635","0.004","14.492","0.004","19.962","0.006","90","","90","","90","","3655.2","1.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","","Itaru Nakamura; Dong Zhang; Masahiro Terada","Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes","Journal of the American Chemical Society","2011","133","","6862","6862","10.1021/ja201076c","","","0.7107","MoKα","","","0.1055","","","","0.1683","","","","","","1.42","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106103","15.2003","0.0016","16.024","0.003","19.873","0.004","90","","90","","90","","4840.5","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H28 Cl N3 Ni -","- C27 H28 Cl N3 Ni -","- C216 H224 Cl8 N24 Ni8 -","8","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0811","0.0502","","","0.0906","0.1022","","","","","","1.236","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106150","17.625","0.004","23.731","0.005","26.021","0.005","90","","90","","90","","10884","4","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","TAM(ophen12HOPO)2 uranyl complex","","","- C50 H66 N8 O17 S U -","- C50 H66 N8 O17 S U -","- C400 H528 N64 O136 S8 U8 -","8","1","","Géza Szigethy; Kenneth N. Raymond","Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1)","Journal of the American Chemical Society","2011","133","","7942","7956","10.1021/ja201511u","","","0.71073","MoKα","","0.0623","0.0331","","","0.0752","0.0842","","","","","","1.214","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106207","21.0637","0.0018","20.4454","0.0018","25.047","0.002","90","","90","","90","","10786.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H50 N4 Ni O3 -","- C70 H50 N4 Ni O3 -","- C560 H400 N32 Ni8 O24 -","8","1","","Christian Brückner; Daniel C. G. Götz; Simon P. Fox; Claudia Ryppa; Jason R. McCarthy; Torsten Bruhn; Joshua Akhigbe; Subhadeep Banerjee; Pedro Daddario; Heather W. Daniell; Matthias Zeller; Ross W. Boyle; Gerhard Bringmann","Helimeric Porphyrinoids: Stereostructure and Chiral Resolution of meso-Tetraarylmorpholinochlorins","Journal of the American Chemical Society","2011","133","","8740","8752","10.1021/ja202451t","","","0.71073","MoKα","","0.0555","0.0442","","","0.1137","0.1257","","","","","","1.038","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106215","17.8996","0.0009","15.312","0.0007","24.1534","0.0012","90","","90","","90","","6619.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H46 N2 O3 Ru -","- C36 H46 N2 O3 Ru -","- C288 H368 N16 O24 Ru8 -","8","1","","Koji Endo; Robert H. Grubbs","Chelated Ruthenium Catalysts for Z-Selective Olefin Metathesis","Journal of the American Chemical Society","2011","133","","8525","8527","10.1021/ja202818v","","","0.71073","MoKα","","0.0514","0.0296","","","0.0483","0.0493","","","","","","2.041","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106249","8.7051","0.0007","21.177","0.002","37.004","0.003","90","","90","","90","","6821.6","1","296.2","","296.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ru(pynaph)(tpy)(H2O)](PF6)2.2(H2O)","","","- C28 H26 F12 N6 O3 P2 Ru -","- C28 H22 F12 N6 O3 P2 Ru -","- C224 H176 F96 N48 O24 P16 Ru8 -","8","1","","Hirosato Yamazaki; Tomoya Hakamata; Manabu Komi; Masayuki Yagi","Stoichiometric Photoisomerization of Mononuclear Ruthenium(II) Monoaquo Complexes Controlling Redox Properties and Water Oxidation Catalysis","Journal of the American Chemical Society","2011","133","","8846","8849","10.1021/ja2024228","","","0.7107","MoKα","","","0.0928","","","","0.2816","","","","","","1.282","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106264","17.5522","0.0006","10.4649","0.0004","28.3624","0.0009","90","","90","","90","","5209.7","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Fe N3 -","- C31 H37 Fe N3 -","- C248 H296 Fe8 N24 -","8","1","","Sarah K. Russell; Emil Lobkovsky; Paul J. Chirik","Iron-Catalyzed Intermolecular [2π + 2π] Cycloaddition","Journal of the American Chemical Society","2011","133","","8858","8861","10.1021/ja202992p","","","0.71073","MoKα","","0.0581","0.0413","","","0.1067","0.1165","","","","","","1.014","","","","has coordinates,has disorder","178808","2020-10-21","18:00:00",""
"4106289","9.5197","0.0001","9.9275","0.0001","21.7783","0.0002","90","","90","","90","","2058.2","0.04","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl Li N2 O4 -","- C6 H14 Cl Li N2 O4 -","- C48 H112 Cl8 Li8 N16 O32 -","8","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.029","0.0274","","","0.0786","0.0798","","","","","","1.031","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106326","9.174","0.007","14.901","0.011","27.65","0.02","90","","90","","90","","3780","5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N3 S3 Zn -","- C17 H15 N3 S3 Zn -","- C136 H120 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.0829","0.0415","","","0.0884","0.1022","","","","","","1.018","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106331","8.607","0.002","14.655","0.004","30.49","0.008","90","","90","","90","","3845.9","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 S3 Zn -","- C19 H16 N3 S3 Zn -","- C152 H128 N24 S24 Zn8 -","8","1","","Wesley Sattler; Gerard Parkin","Synthesis, Structure, and Reactivity of a Mononuclear Organozinc Hydride Complex: Facile Insertion of CO2 into a Zn-H Bond and CO2-Promoted Displacement of Siloxide Ligands","Journal of the American Chemical Society","2011","133","","9708","9711","10.1021/ja2035706","","","0.71073","MoKα","","0.1075","0.0465","","","0.0834","0.1024","","","","","","1.001","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106360","10.7845","0.0003","21.0658","0.0005","28.4655","0.0007","90","","90","","90","","6466.9","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H54 Ge N2 -","- C35 H54 Ge N2 -","- C280 H432 Ge8 N16 -","8","1","","William D. Woodul; Emma Carter; Robert Müller; Anne F. Richards; Andreas Stasch; Martin Kaupp; Damien M. Murphy; Matthias Driess; Cameron Jones","A Neutral, Monomeric Germanium(I) Radical","Journal of the American Chemical Society","2011","133","","10074","10077","10.1021/ja204344e","","","0.71073","MoKα","","0.1707","0.0668","","","0.1451","0.1825","","","","","","1.013","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106380","12.2687","0.001","25.927","0.002","48.485","0.004","90","","90","","90","","15423","2","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C90 H72 Fe2 N5 O10.26 S -","- C90 H72 Fe2 N5 O10.253 S -","- C720 H576 Fe16 N40 O82.024 S8 -","8","1","","Loi H. Do; Stephen J. Lippard","Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework","Journal of the American Chemical Society","2011","133","","10568","10581","10.1021/ja2021312","","","0.71073","MoKα","","0.1159","0.0906","","","0.1851","0.1961","","","","","","1.19","","","","has coordinates,has disorder","178809","2020-10-21","18:00:00",""
"4106408","10.5493","0.0015","16.05","0.002","20.088","0.003","90","","90","","90","","3401.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C152 H160 N16 O32 -","8","1","","Bishwajit Paul; Glenn L. Butterfoss; Mikki G. Boswell; P. Douglas Renfrew; Fanny G. Yeung; Neel H. Shah; Christian Wolf; Richard Bonneau; Kent Kirshenbaum","Peptoid Atropisomers","Journal of the American Chemical Society","2011","133","","10910","10919","10.1021/ja2028684","","","0.71073","MoKα","","0.0911","0.0675","","","0.1556","0.1623","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106416","14.9342","0.0018","21.214","0.003","23.28","0.003","90","","90","","90","","7375.4","1.7","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H49 Cl Ge N2 O2 -","- C43 H49 Cl Ge N2 O2 -","- C344 H392 Cl8 Ge8 N16 O16 -","8","1","","Koji Nakano; Kazuki Kobayashi; Kyoko Nozaki","Tetravalent Metal Complexes as a New Family of Catalysts for Copolymerization of Epoxides with Carbon Dioxide","Journal of the American Chemical Society","2011","133","","10720","10723","10.1021/ja203382q","","","0.71075","MoKα","","0.0815","0.0745","","","0.1465","0.15","","","","","","1.253","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106470","19.516","0.004","12.763","0.002","28.775","0.005","90","","90","","90","","7167","2","123.1","","123.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H29 F18 N6 O2 P3 Ru -","- C28 H27 F18 N6 O2 P3 Ru -","- C224 H216 F144 N48 O16 P24 Ru8 -","8","1","","Takahiko Kojima; Kazuya Nakayama; Kenichiro Ikemura; Takashi Ogura; Shunichi Fukuzumi","Formation of a Ruthenium(IV)-Oxo Complex by Electron-Transfer Oxidation of a Coordinatively Saturated Ruthenium(II) Complex and Detection of Oxygen-Rebound Intermediates in C-H Bond Oxygenation","Journal of the American Chemical Society","2011","133","","11692","11700","10.1021/ja2037645","","","0.7107","MoKα","","","0.0871","","","","0.2005","","","","","","1.237","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106495","15.8784","0.0007","21.1674","0.0009","23.6769","0.001","90","","90","","90","","7957.9","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H33 Ag F6 N2 O P2 -","- C47 H33 Ag F6 N2 O P2 -","- C376 H264 Ag8 F48 N16 O8 P16 -","8","1","","Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen","Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices","Journal of the American Chemical Society","2011","133","","12085","12099","10.1021/ja2026568","","","0.71073","MoKα","","0.0863","0.069","","","0.1318","0.1385","","","","","","1.216","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106506","10.064","0.0005","23.0863","0.0012","30.1822","0.0016","90","","90","","90","","7012.5","0.6","170","2","170","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","cis-beta iron(II)(BQCN)(CH~3~CN)~2~ triflate","cis-beta-Fe(II)(C~26~H~28~N~4~)(CH~3~CN)~2~(CF~3~SO~3~)~2~","","- C32 H34 F6 Fe N6 O6 S2 -","- C32 H34 F6 Fe N6 O6 S2 -","- C256 H272 F48 Fe8 N48 O48 S16 -","8","1","","Seungwoo Hong; Yong-Min Lee; Kyung-Bin Cho; Karuppasamy Sundaravel; Jaeheung Cho; Myoung Jin Kim; Woonsup Shin; Wonwoo Nam","Ligand Topology Effect on the Reactivity of a Mononuclear Nonheme Iron(IV)-Oxo Complex in Oxygenation Reactions","Journal of the American Chemical Society","2011","133","","11876","11879","10.1021/ja204008u","","","0.71073","MoKα","","0.112","0.046","","","0.0888","0.0959","","","","","","0.743","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106545","21.936","0.003","19.036","0.002","24.287","0.003","90","","90","","90","","10142","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C62 H54 Ni P4 -","- C62 H54 Ni P4 -","- C496 H432 Ni8 P32 -","8","1","","Christopher A. Traina; Ronald C. Bakus II; Guillermo C. Bazan","Design and Synthesis of Monofunctionalized, Water-Soluble Conjugated Polymers for Biosensing and Imaging Applications","Journal of the American Chemical Society","2011","133","","12600","12607","10.1021/ja202877q","","","0.71073","MoKα","","0.1052","0.0675","","","0.1464","0.16","","","","","","1.169","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106554","24.4562","0.0012","7.1073","0.0003","32.098","0.0015","90","","90","","90","","5579.2","0.4","297","2","297","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H19 F6 N O2 Pt S3 -","- C25.24 H19 F4.86 N O2 Pt S3 -","- C201.92 H152 F38.88 N8 O16 Pt8 S24 -","8","1","","Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam","Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design","Journal of the American Chemical Society","2011","133","","12690","12705","10.1021/ja203946g","","","0.71073","MoKα","","0.0602","0.0365","","","0.0691","0.0771","","","","","","1.082","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106598","17.112","0.003","23.856","0.005","27.445","0.006","90","","90","","90","","11204","4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Gross-33 (Jenny)","","","- C47.5 H15 Al Cl F15 I4 N6 -","- C49.5 H20 Al F15 I4 N6 -","- C396 H160 Al8 F120 I32 N48 -","8","1","","Jenya Vestfrid; Mark Botoshansky; Joshua H. Palmer; Alec C. Durrell; Harry B. Gray; Zeev Gross","Iodinated Aluminum(III) Corroles with Long-Lived Triplet Excited States","Journal of the American Chemical Society","2011","133","","12899","12901","10.1021/ja202692b","","","0.71073","MoKα","","0.1166","0.0612","","","0.1749","0.2003","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106654","23.002","0.002","7.7747","0.0008","25.097","0.003","90","","90","","90","","4488.2","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C192 H232 N24 O48 -","8","1","","Risong Na; Chengfeng Jing; Qihai Xu; Hui Jiang; Xi Wu; Jiayan Shi; Jiangchun Zhong; Min Wang; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Hongchao Guo; Ohyun Kwon","Phosphine-Catalyzed Annulations of Azomethine Imines: Allene-Dependent [3 + 2], [3 + 3], [4 + 3], and [3 + 2 + 3] Pathways","Journal of the American Chemical Society","2011","133","","13337","13348","10.1021/ja200231v","","","1.54186","CuKα","","0.0499","0.0433","","","0.1032","0.1067","","","","","","1.091","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106669","15.2121","0.0006","13.224","0.0005","21.2579","0.0009","90","","90","","90","","4276.3","0.3","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H14 F10 N3 O2 Re -","- C19 H14 F10 N3 O2 Re -","- C152 H112 F80 N24 O16 Re8 -","8","1","","Jessica L. Smeltz; Paul D. Boyle; Elon A. Ison","Mechanism for the Activation of Carbon Monoxide via Oxorhenium Complexes","Journal of the American Chemical Society","2011","133","","13288","13291","10.1021/ja205477w","","","0.71073","MoKα","","0.0663","0.0318","","","0.0617","0.072","","","","","","1.028","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106683","8.6638","0.0004","12.9337","0.0007","18.688","0.001","90","","90","","90","","2094.08","0.19","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H8 Cu N6 O4 -","- C6 H8 Cu N6 O4 -","- C48 H64 Cu8 N48 O32 -","8","1","","Gui-Chao Kuang; Pampa M. Guha; Wendy S. Brotherton; J. Tyler Simmons; Lisa A. Stankee; Brian T. Nguyen; Ronald J. Clark; Lei Zhu","Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition","Journal of the American Chemical Society","2011","133","","13984","14001","10.1021/ja203733q","","","0.71073","MoKα","","0.0219","0.0202","","","0.0541","0.0552","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4106702","8.2905","0.0003","10.0263","0.0003","23.1917","0.0008","90","","90","","90","","1927.76","0.11","100","","100","","","","","","","","LOC ETH Zurich","6","P b c a","-P 2ac 2ab","61","","2-fluoro-4,5-dimethyl-2-phenyl-1,3,4,2-dioxazaborol-4-ium-2-uide","","- C9 H11 B F N O2 -","- C9 H11 B F N O2 -","- C72 H88 B8 F8 N8 O16 -","8","1","","Cam-Van T. Vo; T. Andrew Mitchell; Jeffrey W. Bode","Expanded Substrate Scope and Improved Reactivity of Ether-Forming Cross-Coupling Reactions of Organotrifluoroborates and Acetals","Journal of the American Chemical Society","2011","133","","14082","14089","10.1021/ja205174c","","","0.71073","MoKα","","0.0563","0.0412","","","0.1231","0.1441","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106889","24.6803","0.0007","19.0086","0.0006","24.8761","0.0008","90","","90","","90","","11670.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C186 H104 La2 N8 Ni2 -","- C186 H104 La1.9998 N8 Ni2 -","- C744 H416 La7.9992 N32 Ni8 -","4","0.5","","Christine M. Beavers; Hongxiao Jin; Hua Yang; Zhimin Wang; Xinqing Wang; Hongliang Ge; Ziyang Liu; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Very Large, Soluble Endohedral Fullerenes in the Series La2C90 to La2C138: Isolation and Crystallographic Characterization of La2@D5(450)-C100","Journal of the American Chemical Society","2011","133","","15338","15341","10.1021/ja207090e","","","0.7749","synchrotron","","0.1162","0.0726","","","0.2027","0.2411","","","","","","1.026","","","","has coordinates,has disorder","178814","2020-10-21","18:00:00",""
"4106938","11.0072","0.0004","17.2751","0.0005","17.6048","0.0006","90","","90","","90","","3347.56","0.19","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C120 H136 I16 N8 O8 -","8","1","","Achim Bruch; Roland Fröhlich; Stefan Grimme; Armido Studer; Dennis P. Curran","One Product, Two Pathways: Initially Divergent Radical Reactions Reconverge To Form a Single Product in High Yield","Journal of the American Chemical Society","2011","133","","16270","16276","10.1021/ja2070347","","","0.71073","MoKα","","0.0935","0.0795","","","0.2079","0.2203","","","","","","1.126","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106941","8.2062","0.0003","22.2585","0.0007","28.7399","0.0009","90","","90","","90","","5249.6","0.3","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Y -","- C24 H39 Si3 Y -","- C192 H312 Si24 Y8 -","8","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0341","0.0236","","","0.0527","0.0561","","","","","","1.03","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106960","5.6446","0.0016","7.425","0.002","14.514","0.004","90","","90","","90","","608.3","0.3","173","2","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B H5 N Na -","- B H5 N Na -","- B8 H40 N8 Na8 -","8","1","","David J. Wolstenholme; James T. Titah; Franklin N. Che; Kyle T. Traboulsee; Jenna Flogeras; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali-Metal Amidoboranes and Its Implications for Hydrogen Storage","Journal of the American Chemical Society","2011","133","","16598","16604","10.1021/ja206357a","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0919","0.0946","","","","","","1.249","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107002","27.165","0.004","13.745","0.002","46.162","0.007","90","","90","","90","","17236","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C82 H60 I6 N16 O8 Zn3 -","- C82 H60 I6 N16 O8 Zn3 -","- C656 H480 I48 N128 O64 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0944","0.0556","","","0.1251","0.1445","","","","","","0.93","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107003","27.249","0.006","13.798","0.003","44.834","0.01","90","","90","","90","","16857","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H47 I6 N13 O3 Zn3 -","- C64 H47 I6 N13 O3 Zn3 -","- C512 H376 I48 N104 O24 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.13","0.0986","","","0.3159","0.3358","","","","","","1.276","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107004","27.11","0.005","13.785","0.003","45.814","0.009","90","","90","","90","","17121","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C81 H81 I6 N13 O2 Zn3 -","- C81 H81 I6 N13 O2 Zn3 -","- C648 H648 I48 N104 O16 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.1244","0.0997","","","0.3464","0.3681","","","","","","1.516","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107005","28.147","0.003","13.8926","0.0013","44.028","0.004","90","","90","","90","","17216","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C67 H50 Cl4 I6 N14 O4 Zn3 -","- C536 H400 Cl32 I48 N112 O32 Zn24 -","8","1","","Koki Ikemoto; Yasuhide Inokuma; Makoto Fujita","Diels-Alder via Molecular Recognition in a Crystalline Molecular Flask","Journal of the American Chemical Society","2011","133","","16806","16808","10.1021/ja2079064","","","0.71073","MoKα","","0.0824","0.0653","","","0.2557","0.2799","","","","","","1.203","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107017","8.5768","0.0004","15.0166","0.0006","18.426","0.0008","90","","90","","90","","2373.17","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","1","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0423","0.0369","","","0.0992","0.1123","","","","","","1.212","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107029","9.549","0.0017","12.04","0.002","27.566","0.005","90","","90","","90","","3169.3","1","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TFM4031","","","- C17 H27 N O -","- C17 H27 N O -","- C136 H216 N8 O8 -","8","1","","Todd F. Markle; Ian J. Rhile; James M. Mayer","Kinetic Effects of Increased Proton Transfer Distance on Proton-Coupled Oxidations of Phenol-Amines","Journal of the American Chemical Society","2011","133","","17341","17352","10.1021/ja2056853","","","0.71073","MoKα","","0.1381","0.0698","","","0.142","0.166","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107042","10.9427","0.0005","15.7965","0.0007","32.9696","0.0012","90","","90","","90","","5699","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[(tBuPCP)PdOH][HOCH2CH2F]","(1-FE)","","- C26 H49.38 F0.63 O2 P2 Pd -","- C26 H49.34 F0.66 O2 P2 Pd -","- C208 H394.72 F5.28 O16 P16 Pd8 -","8","1","","Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg","Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes","Journal of the American Chemical Society","2011","133","","17713","17726","10.1021/ja205824q","","","0.71073","MoKα","","0.1352","0.0804","","","0.1444","0.1648","","","","","","1.104","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107120","19.9808","0.0017","20.8738","0.0018","22.375","0.002","90","","90","","90","","9332.1","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H74 Br O2 P Pd -","- C51 H74 Br O2 P Pd -","- C408 H592 Br8 O16 P8 Pd8 -","8","1","","Thomas J. Maimone; Phillip J. Milner; Tom Kinzel; Yong Zhang; Michael K. Takase; Stephen L. Buchwald","Evidence for in Situ Catalyst Modification during the Pd-Catalyzed Conversion of Aryl Triflates to Aryl Fluorides","Journal of the American Chemical Society","2011","133","","18106","18109","10.1021/ja208461k","","","0.71073","MoKα","","0.055","0.0433","","","0.1083","0.1148","","","","","","1.046","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107125","11.2149","0.0005","24.117","0.001","37.5403","0.0013","90","","90","","90","","10153.5","0.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H79 B Fe N3 P3 Si2 -","- C47 H79 B Fe N3 P3 Si2 -","- C376 H632 B8 Fe8 N24 P24 Si16 -","8","1","","Marc-Etienne Moret; Jonas C. Peters","N2 Functionalization at Iron Metallaboratranes","Journal of the American Chemical Society","2011","133","","18118","18121","10.1021/ja208675p","","","0.71073","MoKα","","0.0715","0.0504","","","0.0963","0.1025","","","","","","1.144","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107232","10.051","0.0007","13.3654","0.0009","24.4607","0.0017","90","","90","","90","","3285.9","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B Cr N2 O3 -","- C14 H21 B Cr N2 O3 -","- C112 H168 B8 Cr8 N16 O24 -","8","1","","Senmiao Xu; Lev N. Zakharov; Shih-Yuan Liu","A 1,3-Dihydro-1,3-azaborine Debuts","Journal of the American Chemical Society","2011","133","","20152","20155","10.1021/ja2097089","","","0.71073","MoKα","","0.0561","0.0485","","","0.1254","0.1323","","","","","","1.078","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107250","17.0809","0.0011","18.9831","0.0012","20.863","0.0014","90","","90","","90","","6764.8","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Trimethylsilicenium Tetrakis(pentafluorophenyl)borate toluene solvate","","- C34 H17 B F20 Si -","- C34 H17 B F20 Si -","- C272 H136 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0932","0.0398","","","0.0778","0.0895","","","","","","0.964","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107251","17.0523","0.0004","18.985","0.0005","20.8924","0.0005","90","","90","","90","","6763.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.69 H17.08 B F20.08 Si1.08 -","- C33.6912 H17.0772 B F20.0772 Si1.0772 -","- C269.53 H136.618 B8 F160.618 Si8.6176 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.0712","0.0385","","","0.0866","0.096","","","","","","1.035","","","","has coordinates,has disorder","178818","2020-10-21","18:00:00",""
"4107257","16.6384","0.0011","20.3523","0.0011","24.3708","0.0015","90","","90","","90","","8252.7","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H29 B F20 Si -","- C43 H29 B F20 Si -","- C344 H232 B8 F160 Si8 -","8","1","","Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger","Silylium-Arene Adducts: An Experimental and Theoretical Study","Journal of the American Chemical Society","2011","133","","21016","21027","10.1021/ja209693a","","","0.71073","MoKα","","0.1089","0.051","","","0.1214","0.1378","","","","","","1.023","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107289","16.3151","0.0002","16.4521","0.0003","16.5118","0.0003","90","","90","","90","","4432.06","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F2 I2 P2 Pt -","- C18 H24 F2 I2 P2 Pt -","- C144 H192 F16 I16 P16 Pt8 -","8","1","","Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies","Journal of the American Chemical Society","2008","130","","724","731","10.1021/ja077258a","","","0.71073","MoKα","","0.0558","0.0389","","","0.086","0.0932","","","","","","1.083","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107333","21.944","0.003","22.017","0.002","20.452","0.002","90","","90","","90","","9881.2","1.9","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0806","0.0602","","","0.1631","0.1714","","","","","","1.218","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107334","22.031","0.003","22.122","0.003","20.498","0.002","90","","90","","90","","9990","2","273","","273","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.1178","0.0746","","","0.18","0.1945","","","","","","1.192","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107335","21.966","0.003","22.066","0.003","20.473","0.002","90","","90","","90","","9923","2","188","","188","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0843","0.0593","","","0.1582","0.1675","","","","","","1.148","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107336","21.958","0.003","22.035","0.002","20.4625","0.0017","90","","90","","90","","9900.7","1.8","133","","133","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C96 H18 Cl2 La2 -","- C96 H18 Cl2 La2 -","- C768 H144 Cl16 La16 -","8","1","","Michio Yamada; Chika Someya; Takatsugu Wakahara; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Michael T. H. Liu; Naomi Mizorogi; Shigeru Nagase","Metal Atoms Collinear with the Spiro Carbon of 6,6-Open Adducts, M2@C80(Ad) (M = La and Ce, Ad = Adamantylidene)","Journal of the American Chemical Society","2008","130","","1171","1176","10.1021/ja073924w","","","0.71075","MoKα","","0.0757","0.059","","","0.1609","0.168","","","","","","1.232","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107385","12.4605","0.0018","16.177","0.003","27.824","0.004","90","","90","","90","","5608.6","1.5","243","2","243","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H43 Mo N P4 -","- C21 H43 Mo N P4 -","- C168 H344 Mo8 N8 P32 -","8","1","","Guang Zhu; Keliang Pang; Gerard Parkin","New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4","Journal of the American Chemical Society","2008","130","","1564","1565","10.1021/ja078102d","","","0.71073","MoKα","","0.1441","0.0607","","","0.1434","0.1744","","","","","","1.024","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107393","9.079","0.005","16.098","0.009","20.702","0.012","90","","90","","90","","3026","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C144 H168 F8 O16 -","8","1","","Matthew B. Boxer; Matsujiro Akakura; Hisashi Yamamoto","Ketone Super Silyl Enol Ethers in Sequential Reactions: Diastereoselective Generation of Tertiary Carbinols in One Pot","Journal of the American Chemical Society","2008","130","","1580","1582","10.1021/ja7102586","","","0.71073","MoKα","","0.1073","0.0665","","","0.1403","0.157","","","","","","1.038","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107394","27.91","0.01","13.839","0.006","44.93","0.02","90","","90","","90","","17354","12","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64.4 H46 I6 N14.4 O2.8 Zn3 -","- C64.4 H46 I6 N14.4 O2.8 Zn3 -","- C515.2 H368 I48 N115.2 O22.4 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1333","0.0747","","","0.2234","0.2689","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107395","28.4","0.01","13.872","0.006","44.18","0.02","90","","90","","90","","17405","13","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64.2 H47 I6 N13 O0.7 Zn3 -","- C64.2 H47 I6 N13 O0.7 Zn3 -","- C513.6 H376 I48 N104 O5.6 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.0915","0.0573","","","0.1679","0.1896","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107396","28.14","0.01","14.022","0.005","44.48","0.02","90","","90","","90","","17551","12","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.2 H42.2 I6 N13 O Zn3 -","- C57.2 H42.2 I6 N13 O Zn3 -","- C457.6 H337.6 I48 N104 O8 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1724","0.0895","","","0.2529","0.3058","","","","","","1.08","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107397","28.28","0.003","14.012","0.002","44.907","0.005","90","","90","","90","","17795","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H48 I6 N13 O2.5 Zn3 -","- C66 H48 I6 N13 O2.5 Zn3 -","- C528 H384 I48 N104 O20 Zn24 -","8","1","","Tsuyoshi Haneda; Masaki Kawano; Takehide Kawamichi; Makoto Fujita","Direct Observation of the Labile Imine Formation through Single-Crystal-to-Single-Crystal Reactions in the Pores of a Porous Coordination Network","Journal of the American Chemical Society","2008","130","","1578","1579","10.1021/ja7111564","","","0.71073","MoKα","","0.1151","0.0691","","","0.2101","0.2398","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107404","16.395","0.008","6.057","0.002","18.058","0.009","90","","90","","90","","1793.2","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Sergiy V. Rosokha; Marshall D. Newton; Almaz S. Jalilov; Jay K. Kochi","The Spectral Elucidation versus the X-ray Structure of the Critical Precursor Complex in Bimolecular Electron Transfers: Application of Experimental/Theoretical Solvent Probes to Ion-Radical (Redox) Dyads","Journal of the American Chemical Society","2008","130","","1944","1952","10.1021/ja076591b","","","0.71073","MoKα","","0.1399","0.053","","","0.0638","0.0809","","","","","","0.953","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107442","13.0047","0.0008","19.9544","0.0012","24.4736","0.0015","90","","90","","90","","6350.9","0.7","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C26 H32 B9 Cl3 D N P Rh S -","- C26 H32 B9 Cl3 D N P Rh S -","- C208 H256 B72 Cl24 D8 N8 P8 Rh8 S8 -","8","1","","Álvaro Álvarez; Ramón Macías; María José Fabra; Fernando J. Lahoz; Luis A. Oro","Reversible Ethylene Dihydrogen Mediated 11-Vertex nido\ρightarrowcloso\ρightarrownido Conversion in a Metallathiaborane Cluster","Journal of the American Chemical Society","2008","130","","2148","2149","10.1021/ja078197j","","","0.71073","MoKα","","0.065","0.0512","","","0.1037","0.1081","","","","","","1.206","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107519","14.0117","0.0002","7.9618","0.0002","27.913","0.0006","90","","90","","90","","3113.93","0.11","173.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C152 H160 O16 -","8","1","","Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates","Journal of the American Chemical Society","2008","130","","2908","2909","10.1021/ja710013y","","","0.71069","MoKα","","","0.0539","","","","0.0616","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107663","19.9611","0.0013","16.7865","0.0011","23.8821","0.0016","90","","90","","90","","8002.3","0.9","187","2","187","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H55 Cl2 N2 O2 Y -","- C40 H55 Cl2 N2 O2 Y -","- C320 H440 Cl16 N16 O16 Y8 -","8","1","","Wei Gao; Dongmei Cui","Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler-Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors","Journal of the American Chemical Society","2008","130","","4984","4991","10.1021/ja711146t","","","0.71073","MoKα","","0.1012","0.0445","","","0.0968","0.1074","","","","","","0.839","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107684","11.8607","0.0011","17.2023","0.0017","32.273","0.003","90","","90","","90","","6584.7","1.1","141","2","141","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H55 N O U -","- C36 H55 N O U -","- C288 H440 N8 O8 U8 -","8","1","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.0896","0.0399","","","0.0656","0.078","","","","","","1.004","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107766","13.0193","0.0015","14.7971","0.0017","26.831","0.003","90","","90","","90","","5168.9","1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 N4 Pt S4 Zn2 -","- C18 H36 Cl2 N4 Pt S4 Zn2 -","- C144 H288 Cl16 N32 Pt8 S32 Zn16 -","8","1","","Elky Almaraz; Queite A. de Paula; Qin Liu; Joseph H. Reibenspies; Marcetta Y. Darensbourg; Nicholas P. Farrell","Thiolate Bridging and Metal Exchange in Adducts of a Zinc Finger Model and PtII Complexes: Biomimetic Studies of Protein/Pt/DNA Interactions","Journal of the American Chemical Society","2008","130","","6272","6280","10.1021/ja711254q","","","1.54178","CuKα","","0.0492","0.0307","","","0.0563","0.0595","","","","","","1.009","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107768","24.789","0.003","24.031","0.003","15.525","0.002","90","","90","","90","","9248","2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holrc02","","","- C102 H136 D12 Fe2 N10 -","- C102 H148 Fe2 N10 -","- C408 H592 Fe8 N40 -","4","0.5","","Ryan E. Cowley; Jérôme Elhaïk; Nathan A. Eckert; William W. Brennessel; Eckhard Bill; Patrick L. Holland","A Bridging Hexazene (RNNNNNNR) Ligand from Reductive Coupling of Azides","Journal of the American Chemical Society","2008","130","","6074","6075","10.1021/ja801375g","","","0.71073","MoKα","","0.1014","0.0641","","","0.1305","0.144","","","","","","1.064","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107781","16.101","0.003","16.526","0.003","25.199","0.004","90","","90","","90","","6705","2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","holas17","","","- C72 H108 Fe2 N4 O4 -","- C72 H108 Fe2 N4 O4 -","- C288 H432 Fe8 N16 O16 -","4","0.5","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0881","0.0496","","","0.114","0.1288","","","","","","1.035","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107959","24.119","0.002","12.8676","0.0013","31.795","0.003","90","","90","","90","","9867.7","1.6","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB6 hydrate","CB6 hydrate","","- C34 H60 Cl2 N24 O23 -","- C34 H36 N24 O12 -","- C272 H288 N192 O96 -","8","1","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.0926","0.0565","","","0.1146","0.125","","","","","","1","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108103","7.242","0.002","13.408","0.004","17.835","0.005","90","","90","","90","","1731.8","0.9","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Mn N O3 -","- C8 H6 Mn N O3 -","- C64 H48 Mn8 N8 O24 -","8","1","","Derek R. Laws; Daesung Chong; Karen Nash; Arnold L. Rheingold; William E. Geiger","Cymantrene Radical Cation Family: Spectral and Structural Characterization of the Half-Sandwich Analogues of Ferrocenium Ion","Journal of the American Chemical Society","2008","130","","9859","9870","10.1021/ja801930q","","","0.71073","MoKα","","0.04","0.0287","","","0.0679","0.0738","","","","","","1.049","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108136","16.057","0.002","16.991","0.002","19.045","0.002","90","","90","","90","","5195.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(C4H9)4N][C(NH2)3][C4O2S2]","","","- C21 H42 N4 O2 S2 -","- C21 H42 N4 O2 S2 -","- C168 H336 N32 O16 S16 -","8","1","","Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak","Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers","Journal of the American Chemical Society","2008","130","","10315","10326","10.1021/ja802425q","","","0.71073","MoKα","","0.1273","0.0552","","","0.1513","0.2096","","","","","","1.007","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108178","18.1318","0.0006","18.1789","0.0006","18.3767","0.0006","90","","90","","90","","6057.3","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H41 B Fe N8 -","- C29 H41 B Fe N8 -","- C232 H328 B8 Fe8 N64 -","8","1","","Jeremiah J. Scepaniak; Meita D. Fulton; Ranko P. Bontchev; Eileen N. Duesler; Martin L. Kirk; Jeremy M. Smith","Structural and Spectroscopic Characterization of an Electrophilic Iron Nitrido Complex","Journal of the American Chemical Society","2008","130","","10515","10517","10.1021/ja8027372","","","0.71073","MoKα","","0.0632","0.0378","","","0.0953","0.1108","","","","","","1","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108195","18.5429","0.0018","7.2296","0.0007","28.476","0.003","90","","90","","90","","3817.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H31 Cl N2 O2 -","- C18 H31 Cl N2 O2 -","- C144 H248 Cl8 N16 O16 -","8","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.1342","0.0808","","","0.1671","0.197","","","","","","1.173","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108197","14.009","0.002","8.2472","0.0012","24.853","0.004","90","","90","","90","","2871.4","0.7","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H21 Cl N2 O2 -","- C13 H21 Cl N2 O2 -","- C104 H168 Cl8 N16 O16 -","8","1","","Hiyam Hamaed; Jenna M. Pawlowski; Benjamin F.T. Cooper; Riqiang Fu; S. Holger Eichhorn; Robert W. Schurko","Application of Solid-State 35Cl NMR to the Structural Characterization of Hydrochloride Pharmaceuticals and their Polymorphs","Journal of the American Chemical Society","2008","130","","11056","11065","10.1021/ja802486q","","","0.71073","MoKα","","0.0621","0.0428","","","0.1161","0.1231","","","","","","1.089","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108219","17.5108","0.001","17.3197","0.001","20.0351","0.0011","90","","90","","90","","6076.3","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H47 Br2 Ir P2 -","- C30 H47 Br2 Ir P2 -","- C240 H376 Br16 Ir8 P16 -","8","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0459","0.0378","","","0.1206","0.1265","","","","","","1.061","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108221","11.7312","0.0007","20.4871","0.0013","29.5148","0.0018","90","","90","","90","","7093.5","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H55 Ir O P2 -","- C39 H55 Ir O P2 -","- C312 H440 Ir8 O8 P16 -","8","1","","Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir","Journal of the American Chemical Society","2008","130","","11317","11327","10.1021/ja800434r","","","0.71073","MoKα","","0.0526","0.0376","","","0.0812","0.0877","","","","","","1.001","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108248","11.0954","0.0006","10.5677","0.0006","19.0897","0.0011","90","","90","","90","","2238.3","0.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C96 H104 Si8 -","4","0.5","","Igor V. Alabugin; Kerry Gilmore; Satish Patil; Mariappan Manoharan; Serguei V. Kovalenko; Ronald J. Clark; Ion Ghiviriga","Radical Cascade Transformations of Tris(o-aryleneethynylenes) into Substituted Benzo[a]indeno[2,1-c]fluorenes","Journal of the American Chemical Society","2008","130","","11535","11545","10.1021/ja8038213","","","0.71073","MoKα","","0.0663","0.0651","","","0.1349","0.1356","","","","","","1.362","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108289","20.109","0.002","20.1593","0.0018","24.523","0.002","90","","90","","90","","9941.2","1.6","173.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H39 B F24 Ir P -","- C45 H27 B F23.94 Ir P -","- C360 H216 B8 F191.52 Ir8 P8 -","8","1","","Yasuhiro Ohki; Mayumi Sakamoto; Kazuyuki Tatsumi","Reversible Heterolysis of H2 Mediated by an M-S(Thiolate) Bond (M = Ir, Rh): A Mechanistic Implication for [NiFe] Hydrogenase","Journal of the American Chemical Society","2008","130","","11610","11611","10.1021/ja804848w","","","0.7107","MoKα","","","0.0594","","","","0.134","","","","","","1.314","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108323","14.163","0.004","14.134","0.004","16.658","0.004","90","","90","","90","","3334.6","1.6","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","jonll04","","","- C18 H23 Cl N Rh -","- C18 H23 Cl N Rh -","- C144 H184 Cl8 N8 Rh8 -","8","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0267","0.0207","","","0.0492","0.0522","","","","","","1.047","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108324","14.216","0.003","14.109","0.003","16.637","0.003","90","","90","","90","","3336.9","1.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","jonll02","","","- C18 H23 Cl Ir N -","- C18 H23 Cl Ir N -","- C144 H184 Cl8 Ir8 N8 -","8","1","","Ling Li; William W. Brennessel; William D. Jones","An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)","Journal of the American Chemical Society","2008","130","","12414","12419","10.1021/ja802415h","","","0.71073","MoKα","","0.0197","0.0152","","","0.033","0.0342","","","","","","1.044","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108341","9.675","0.0019","9.456","0.0019","34.564","0.007","90","","90","","90","","3162.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","1","","Edward C. Lis; Rebecca J. Salomon; Michal Sabat; William H. Myers; W. Dean Harman","Synthesis of 1-Oxadecalins from Anisole Promoted by Tungsten","Journal of the American Chemical Society","2008","130","","12472","12476","10.1021/ja803605m","","","0.71073","MoKα","","0.126","0.0925","","","0.2683","0.3006","","","","","","1.035","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108360","15.615","0.003","29.921","0.004","29.357","0.004","90","","90","","90","","13716","4","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.35 H69.7 B Cl4.7 N6 O -","- C79.35 H69.7 B Cl4.7 N6 O -","- C634.8 H557.6 B8 Cl37.6 N48 O8 -","8","1","","Yasuhide Inokuma; Shanmugam Easwaramoorthi; Zin Seok Yoon; Dongho Kim; Atsuhiro Osuka","meso-(4-(N,N-Dialkylamino)phenyl)-Substituted Subporphyrins: Remarkably Perturbed Absorption Spectra and Enhanced Fluorescence by Intramolecular Charge Transfer Interactions","Journal of the American Chemical Society","2008","130","","12234","12235","10.1021/ja804846v","","","0.71075","MoKα","","0.1076","0.0722","","","0.2107","0.2411","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108369","13.9726","0.0009","14.3223","0.0009","29.797","0.002","90","","90","","90","","5963","0.7","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 N2 O S4 W -","- C22 H22 Cl2 N2 O S4 W -","- C176 H176 Cl16 N16 O8 S32 W8 -","8","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0919","0.0813","","","0.2129","0.2275","","","","","","1.083","","","","has coordinates,has disorder","178829","2020-10-21","18:00:00",""
"4108379","12.194","0.009","18.331","0.013","19.774","0.014","90","","90","","90","","4420","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H18 B F10 P -","- C20 H18 B F10 P -","- C160 H144 B8 F80 P8 -","8","1","","Stephen J. Geier; Thomas M. Gilbert; Douglas W. Stephan","Activation of H2 by Phosphinoboranes R2PB(C6F5)2","Journal of the American Chemical Society","2008","130","","12632","12633","10.1021/ja805493y","","","0.71073","MoKα","","0.0821","0.0553","","","0.1494","0.1889","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108398","20.67","0.0005","27.198","0.0007","28.726","0.0009","90","","90","","90","","16149.3","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C96 H82 Cl Cs F N5 O14 -","- C84 Cl3 Cs F N4 O11 -","- C672 Cl24 Cs8 F8 N32 O88 -","8","1","","Jonathan L. Sessler; Sung Kuk Kim; Dustin E. Gross; Chang-Hee Lee; Jong Seung Kim; Vincent M. Lynch","Crown-6-calix[4]arene-Capped Calix[4]pyrrole: An Ion-Pair Receptor for Solvent-Separated CsF Ions","Journal of the American Chemical Society","2008","130","","13162","13166","10.1021/ja804976f","","","0.7107","MoKα","","0.2815","0.1683","","","0.3399","0.4349","","","","","","1.047","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108425","13.3087","0.0004","17.4037","0.0005","24.3214","0.0007","90","","90","","90","","5633.3","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2,3,5,6,2',3',5'6'-ocatabromo-4,4'-dihexylbiphenyl","","- C24 H26 Br8 -","- C24 H26 Br8 -","- C192 H208 Br64 -","8","1","","Cameron L. Hilton; Jeremy M. Crowfoot; Pawel Rempala; Benjamin T. King","18,18'-Dihexyl[9,9']biphenanthro[9,10-b]triphenylene: Construction and Consequences of a Profoundly Hindered Aryl-Aryl Single Bond","Journal of the American Chemical Society","2008","130","","13392","13399","10.1021/ja803396n","","","0.71073","MoKα","","0.0666","0.0362","","","0.0677","0.0727","","","","","","1","","","","has coordinates,has disorder","178830","2020-10-21","18:00:00",""
"4108522","14.4419","0.0002","24.1793","0.0003","51.1378","0.0007","90","","90","","90","","17857.1","0.4","173","2","173","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C84 H150 O4 Si4 U2 -","- C84 H150 O4 Si4 U2 -","- C672 H1200 O32 Si32 U16 -","8","1","","Alistair S. Frey; F. Geoffrey N. Cloke; Peter B. Hitchcock; Iain J. Day; Jennifer C. Green; Georgina Aitken","Mechanistic Studies on the Reductive Cyclooligomerisation of CO by U(III) Mixed Sandwich Complexes; the Molecular Structure of [(U(η-C8H6{SiiPr3-1,4}2)(η-Cp*)]2(μ-η1:η1-C2O2)","Journal of the American Chemical Society","2008","130","","13816","13817","10.1021/ja8059792","","x-ray","0.71073","MoKα","","0.0777","0.0645","","","0.1262","0.1302","","","","","","1.306","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4108632","17.05","0.003","9.0194","0.0015","32.227","0.006","90","","90","","90","","4955.9","1.5","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H15 Co3 N6 O6 S3 -","- C18 H15 Co3 N6 O6 S3 -","- C144 H120 Co24 N48 O48 S24 -","8","1","","Andrew G. Tennyson; Shanta Dhar; Stephen J. Lippard","Synthesis and Characterization of {Ni(NO)}10 and {Co(NO)2}10 Complexes Supported by Thiolate Ligands","Journal of the American Chemical Society","2008","130","","15087","15098","10.1021/ja803992y","","","0.71073","MoKα","","0.0685","0.0437","","","0.0908","0.0995","","","","","","1.052","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108635","10.7709","0.0015","11.1673","0.0018","19.954","0.004","90","","90","","90","","2400.1","0.7","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N6 -","- C32 H24 N6 -","- C128 H96 N24 -","4","0.5","","Ian S. Tidmarsh; Thomas B. Faust; Harry Adams; Lindsay P. Harding; Luca Russo; William Clegg; Michael D. Ward","Octanuclear Cubic Coordination Cages","Journal of the American Chemical Society","2008","130","","15167","15175","10.1021/ja805605y","","","0.71073","MoKα","","0.0502","0.0324","","","0.0704","0.0779","","","","","","1.026","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108649","26.0197","0.0004","34.9666","0.0007","44.9034","0.001","90","","90","","90","","40854","1.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H60 K19 O164 P3 W39 -","- K18.75 O162.5 P3 W39 -","- K150 O1300 P24 W312 -","8","1","","Chullikkattil P. Pradeep; De-Liang Long; Carsten Streb; Leroy Cronin","""Bottom-Up"" Meets ""Top-Down"" Assembly in Nanoscale Polyoxometalate Clusters: Self-Assembly of [P4W52O178]24- and Disassembly to [P3W39O134]19-","Journal of the American Chemical Society","2008","130","","14946","14947","10.1021/ja806596j","","","0.71073","MoKα","","0.1346","0.0705","","","0.1307","0.145","","","","","","1.002","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108650","19.3532","0.0011","7.5226","0.0005","23.5522","0.0014","90","","90","","90","","3428.9","0.4","200.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-Oxo-1-hydro-2-tert-butylbenzo[bc]corannulene","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","1","","Shinsuke Nishida; Yasushi Morita; Akira Ueda; Tadahiro Kobayashi; Kozo Fukui; Kanako Ogasawara; Kazunobu Sato; Takeji Takui; Kazuhiro Nakasuji","Curve-Structured Phenalenyl Chemistry: Synthesis, Electronic Structure, and Bowl-Inversion Barrier of a Phenalenyl-Fused Corannulene Anion","Journal of the American Chemical Society","2008","130","","14954","14955","10.1021/ja806708j","","","0.71075","MoKα","","","0.1265","","","","0.2123","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108720","17.0118","0.0011","19.5103","0.0011","18.357","0.0011","90","","90","","90","","6092.8","0.6","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B Li N2 O2 -","- C30 H46 B Li N2 O2 -","- C240 H368 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.71069","MoKα","","0.1036","0.0814","","","0.2329","0.2575","","","","","","1.071","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108721","11.5625","0.001","19.603","0.002","28.941","0.002","90","","90","","90","","6559.8","1","103.15","","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H52 B Li N2 O2 -","- C34 H52 B Li N2 O2 -","- C272 H416 B8 Li8 N16 O16 -","8","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0892","0.0874","","","0.1634","0.1642","","","","","","1.223","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108736","17.2428","0.0001","22.0385","0.0001","35.3168","0.0003","90","","90","","90","","13420.6","0.15","210","","210","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H42 B F24 I O4 Ru2 -","- C56 H42 B F24 I O4 Ru2 -","- C448 H336 B8 F192 I8 O32 Ru16 -","8","1","","Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge","Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2","Journal of the American Chemical Society","2008","130","","16111","16124","10.1021/ja806655f","","","0.71073","MoKα","","0.114","0.0991","","0.3593","0.3445","0.3593","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108771","15.366","0.0007","17.5521","0.0008","19.3972","0.0009","90","","90","","90","","5231.5","0.4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Mo P4 S -","- C20 H42 Mo P4 S -","- C160 H336 Mo8 P32 S8 -","8","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0293","0.0226","","","0.054","0.0578","","","","","","1.049","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108774","15.3325","0.0009","17.6221","0.001","19.508","0.0011","90","","90","","90","","5270.9","0.5","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H42 Mo P4 Se -","- C20 H42 Mo P4 Se -","- C160 H336 Mo8 P32 Se8 -","8","1","","Daniela Buccella; Kevin E. Janak; Gerard Parkin","Reactivity of Mo(PMe3)6 towards Benzothiophene and Selenophenes: New Pathways Relevant to Hydrodesulfurization","Journal of the American Chemical Society","2008","130","","16187","16189","10.1021/ja8070545","","","0.71073","MoKα","","0.0774","0.0436","","","0.1017","0.1203","","","","","","1.048","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108873","19.5991","0.0009","17.4575","0.0009","21.7621","0.0012","90","","90","","90","","7445.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H25 B F20 O Si -","- C34 H25 B F20 O Si -","- C272 H200 B8 F160 O8 Si8 -","8","1","","Jian Yang; Peter S. White; Maurice Brookhart","Scope and Mechanism of the Iridium-Catalyzed Cleavage of Alkyl Ethers with Triethylsilane","Journal of the American Chemical Society","2008","130","","17509","17518","10.1021/ja806419h","","","0.71073","MoKα","","0.0687","0.0522","","","0.1414","0.1498","","","","","","1.082","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108915","10.8666","0.001","16.478","0.003","24.053","0.002","90","","90","","90","","4306.9","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","peptide","","","- C20 H28 N4 O5 -","- C20 H28 N4 O5 -","- C160 H224 N32 O40 -","8","1","","Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan","Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides","Journal of the American Chemical Society","2008","130","","17743","17754","10.1021/ja804297f","","","0.71073","MoKα","","0.1348","0.0768","","","0.1355","0.1555","","","","","","1.108","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108963","14.5404","0.0006","15.7053","0.0008","22.1506","0.0014","90","","90","","90","","5058.3","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H31 Fe O2 P Si -","- C26 H31 Fe O2 P Si -","- C208 H248 Fe8 O16 P8 Si8 -","8","1","","Masaaki Okazaki; Takahiko Yoshitomi; Junpei Naito; Akira Sato; Takashi Komuro; Hiromi Tobita","Recombination of an Fe-Si-P Linkage to an Fe-P-Si Linkage through an Isolable Intermediate Phosphasilaferracyclopropane","Journal of the American Chemical Society","2008","130","","17674","17675","10.1021/ja808443v","","x-ray","0.71069","MoKα","","0.0949","0.0721","","","0.1569","0.1672","","","","","","1.201","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108970","10.653","0.002","14.545","0.003","21.789","0.004","90","","90","","90","","3376.2","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Mukund P. Sibi; Levi M. Stanley; Xiaoping Nie; Lakshmanan Venkatraman; Mei Liu; Craig P. Jasperse","The Role of Achiral Pyrazolidinone Templates in Enantioselective Diels-Alder Reactions: Scope, Limitations, and Conformational Insights","Journal of the American Chemical Society","2007","129","","395","405","10.1021/ja066425o","","","0.71073","MoKα","","0.174","0.0475","","","0.0917","0.1327","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108992","13.3373","0.0009","7.1636","0.0005","26.4564","0.0018","90","","90","","90","","2527.7","0.3","150","2","150","2","","","","","","","S. Djurdjevic SD2H/DDD","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C128 H112 N16 O16 -","8","1","","Smilja Djurdjevic; David A. Leigh; Hamish McNab; Simon Parsons; Gilberto Teobaldi; Francesco Zerbetto","Extremely Strong and Readily Accessible AAA-DDD Triple Hydrogen Bond Complexes","Journal of the American Chemical Society","2007","129","","476","477","10.1021/ja067410t","","","0.71073","MoKα","","0.0621","0.0437","","","0.0964","0.1041","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4109055","18.309","0.004","10.249","0.002","28.639","0.005","90","","90","","90","","5374.1","1.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H42 O3 -","- C32 H42 O3 -","- C256 H336 O24 -","8","1","","Aaron B. Beeler; Shun Su; Chris A. Singleton; John A. Porco","Discovery of Chemical Reactions through Multidimensional Screening","Journal of the American Chemical Society","2007","129","","1413","1419","10.1021/ja0674744","","","0.71073","MoKα","","0.0811","0.0466","","","0.1079","0.1317","","","","","","1.059","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109144","15.6194","0.0011","21.1141","0.0015","24.6763","0.0018","90","","90","","90","","8138","1","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H52 N6 Ni2 O3 -","- C44 H52 N6 Ni2 O3 -","- C352 H416 N48 Ni16 O24 -","8","1","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0421","0.0315","","","0.0756","0.0815","","","","","","1.047","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109172","15.6106","0.0016","16.1279","0.0017","19.714","0.002","90","","90","","90","","4963.3","0.9","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","TMC","","","- C28 H37 N3 -","- C28 H36.079 N3 -","- C224 H288.632 N24 -","8","1","","Hu Kang; Antonio Facchetti; Hua Jiang; Elena Cariati; Stefania Righetto; Renato Ugo; Cristiano Zuccaccia; Alceo Macchioni; Charlotte L. Stern; Zhifu Liu; Seng-Tiong Ho; Eric C. Brown; Mark A. Ratner; Tobin J. Marks","Ultralarge Hyperpolarizability Twisted π-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies","Journal of the American Chemical Society","2007","129","","3267","3286","10.1021/ja0674690","","","0.71073","MoKα","","0.1674","0.0865","","","0.2419","0.31","","","","","","1.041","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4109193","9.439","0.0019","14.839","0.003","18.608","0.004","90","","90","","90","","2606.3","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Luke D. Elliott; Malcolm Berry; Andrew J. Orr-Ewing; Kevin I. Booker-Milburn","The Intramolecular Photometathesis of Pyrroles","Journal of the American Chemical Society","2007","129","","3078","3079","10.1021/ja070254l","","","0.71073","MoKα","","0.0868","0.0545","","","0.1116","0.1249","","","","","","1.021","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109194","12.6256","0.0017","17.061","0.002","17.386","0.002","90","","90","","90","","3745","0.8","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N3 Pt -","- C24 H19 N3 Pt -","- C192 H152 N24 Pt8 -","8","1","","Shu-Bin Zhao; Rui-Yao Wang; Suning Wang","Intramolecular C-H Activation Directed Self-Assembly of an Organoplatinum(II) Molecular Square","Journal of the American Chemical Society","2007","129","","3092","3093","10.1021/ja0702770","","","0.71073","MoKα","","0.0383","0.0309","","","0.0821","0.0898","","","","","","1","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109210","16.6883","0.0009","17.6585","0.0009","24.283","0.0013","90","","90","","90","","7156","0.7","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Fe3 N2 O23 -","- C22 H28 Cl Fe3 N2 O23 -","- C176 H224 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.0629","0.0443","","","0.1181","0.1253","","","","","","0.962","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109211","17.0064","0.0012","17.4079","0.0012","23.9382","0.0017","90","","90","","90","","7086.8","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H38 Cl Fe3 N2 O23 -","- C23 H31 Cl Fe3 N2 O23 -","- C184 H248 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.0765","0.0481","","","0.1199","0.1449","","","","","","1.084","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109212","16.6966","0.001","17.6462","0.0011","24.2991","0.0015","90","","90","","90","","7159.3","0.8","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Cl Fe3 N2 O23 -","- C22 H28 Cl Fe3 N2 O23 -","- C176 H224 Cl8 Fe24 N16 O184 -","8","1","","Sabbani Supriya; Samar K. Das","Reversible Single Crystal to Single Crystal Transformation through Fe-O(H)Me/Fe-OH2 Bond Formation/Bond Breaking in a Gas-Solid Reaction at an Ambient Condition","Journal of the American Chemical Society","2007","129","","3464","3465","10.1021/ja067572p","","","0.71073","MoKα","","0.1276","0.0575","","","0.1374","0.1771","","","","","","1.057","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109244","10.54","0.002","16.113","0.003","24.914","0.005","90","","90","","90","","4231.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C176 H200 N8 O32 S8 -","8","1","","Jennifer M. Schomaker; Andrea R. Geiser; Rui Huang; Babak Borhan","Tetrasubstituted Pyrrolidines via a Tandem Aza-Payne/Hydroamination Reaction","Journal of the American Chemical Society","2007","129","","3794","3795","10.1021/ja068077w","","","0.71073","MoKα","","0.1078","0.0535","","","0.1317","0.1589","","","","","","0.954","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109292","17.6927","0.0006","19.4801","0.0006","26.9426","0.0009","90","","90","","90","","9285.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H35 B F24 Ni -","- C47 H35 B F24 Ni -","- C376 H280 B8 F192 Ni8 -","8","1","","Abby R. O'Connor; Peter S. White; Maurice Brookhart","The Mechanism of Polymerization of Butadiene by ""Ligand-Free"" Nickel(II) Complexes","Journal of the American Chemical Society","2007","129","","4142","4143","10.1021/ja070364s","","","1.54178","CuKα","","0.1148","0.0973","","","0.2564","0.2744","","","","","","1.011","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109342","19.536","0.005","18.424","0.004","22.264","0.006","90","","90","","90","","8014","3","128","2","128","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H52 F5 N O P2 Ti -","- C38 H52 F5 N O P2 Ti -","- C304 H416 F40 N8 O8 P16 Ti8 -","8","1","","Brad C. Bailey; John C. Huffman; Daniel J. Mindiola","Intermolecular Activation of C-X (X = H, O, F) Bonds by a Ti\τbCtBu Linkage","Journal of the American Chemical Society","2007","129","","5302","5303","10.1021/ja0684646","","","0.71073","MoKα","","0.1184","0.0396","","","0.0751","0.0938","","","","","","0.767","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109437","19.161","0.003","13.9554","0.0018","49.017","0.006","90","","90","","90","","13107","3","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C74 H81 Cl3 Cu N6 O Pd -","- C74 H81 Cl3 Cu N6 O Pd -","- C592 H648 Cl24 Cu8 N48 O8 Pd8 -","8","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals","Journal of the American Chemical Society","2007","129","","6392","6393","10.1021/ja072218s","","","0.71073","MoKα","","0.1061","0.0779","","","0.2023","0.2175","","","","","","1.043","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109445","14.0332","0.0009","15.9112","0.0011","18.8817","0.0012","90","","90","","90","","4216","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H25 B N7 P Ru -","- C15 H25 B N7 P Ru -","- C120 H200 B8 N56 P8 Ru8 -","8","1","","Nicholas A. Foley; Marty Lail; John P. Lee; T. Brent Gunnoe; Thomas R. Cundari; Jeffrey L. Petersen","Comparative Reactivity of TpRu(L)(NCMe)Ph (L = CO or PMe3): Impact of Ancillary Ligand L on Activation of Carbon-Hydrogen Bonds Including Catalytic Hydroarylation and Hydrovinylation/Oligomerization of Ethylene","Journal of the American Chemical Society","2007","129","","6765","6781","10.1021/ja068542p","","","0.71073","MoKα","","0.0574","0.0435","","","0.1102","0.121","","","","","","1.045","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109464","13.033","0.002","13.274","0.002","20.406","0.003","90","","90","","90","","3530.2","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 N O3 P -","- C19 H22 N O3 P -","- C152 H176 N8 O24 P8 -","8","1","","Xue-Feng Zhu; Christopher E. Henry; Ohyun Kwon","Stable Tetravalent Phosphonium Enolate Zwitterions","Journal of the American Chemical Society","2007","129","","6722","6723","10.1021/ja071990s","","","0.71073","MoKα","","0.0474","0.0373","","","0.0922","0.0984","","","","","","1.053","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109536","18.545","0.004","16.868","0.003","25.24","0.005","90","","90","","90","","7896","3","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","jontl01","Ni(dippe)(CH2CN)Cl","","- C16 H34 Cl N Ni P2 -","- C16 H34 Cl N Ni P2 -","- C256 H544 Cl16 N16 Ni16 P32 -","16","2","","Tülay A. Ateşin; Ting Li; Sébastien Lachaize; William W. Brennessel; Juventino J. García; William D. Jones","Experimental and Theoretical Examination of C-CN and C-H Bond Activations of Acetonitrile Using Zerovalent Nickel","Journal of the American Chemical Society","2007","129","","7562","7569","10.1021/ja0707153","","","0.71073","MoKα","","0.057","0.0332","","","0.0731","0.0831","","","","","","1.012","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109754","9.6596","0.0016","21.302","0.004","26.248","0.004","90","","90","","90","","5401","1.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 N O2 Si -","- C31 H37 N O2 Si -","- C248 H296 N8 O16 Si8 -","8","1","","David A. Evans; Yimon Aye","Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides","Journal of the American Chemical Society","2007","129","","9606","9607","10.1021/ja0740420","","","0.71073","MoKα","","0.101","0.0699","","","0.1525","0.1689","","","","","","1.074","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109756","9.5087","0.0017","21.076","0.004","26.118","0.005","90","","90","","90","","5234.2","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N O2 Si -","- C30 H35 N O2 Si -","- C240 H280 N8 O16 Si8 -","8","1","","David A. Evans; Yimon Aye","Aluminum-Catalyzed Enantio- and Diastereoselective Carbonyl Addition of Propargylsilanes. A New Approach to Enantioenriched Vinyl Epoxides","Journal of the American Chemical Society","2007","129","","9606","9607","10.1021/ja0740420","","","0.71073","MoKα","","0.1235","0.0781","","","0.176","0.2004","","","","","","1.053","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109780","8.658","0.005","20.436","0.011","28.965","0.017","90","","90","","90","","5125","5","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 N2 O4 -","- C28 H38 N2 O4 -","- C224 H304 N16 O32 -","8","1","","Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca","Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals","Journal of the American Chemical Society","2007","129","","10159","10170","10.1021/ja0712017","","","0.43321","synchrotron","","0.1937","0.1178","","","0.2739","0.3285","","","","","","0.993","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109808","17.59","0.001","17.765","0.001","19.847","0.002","90","","90","","90","","6201.9","0.8","293","","273.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","Fe(PS3*)(NO)","tris(3-phenyl-2-phenylthiolate)phosphine Iron nitrosyl","","- C36 H24 Fe N O P S3 -","- C36 H24 Fe N O P S3 -","- C288 H192 Fe8 N8 O8 P8 S24 -","8","1","","Jeanet Conradie; Duncan A. Quarless; Hua-Fen Hsu; Todd C. Harrop; Stephen J. Lippard; Stephen A. Koch; Abhik Ghosh","Electronic Structure and FeNO Conformation of Nonheme Iron-Thiolate-NO Complexes: An Experimental and DFT Study","Journal of the American Chemical Society","2007","129","","10446","10456","10.1021/ja0719982","","x-ray","0.7107","MoKalpha","","","0.0406","","","0.0242","","","","","2.237","2.237","","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109824","14.2616","0.0004","16.1525","0.0005","16.4867","0.0005","90","","90","","90","","3797.9","0.2","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Co3 O16 -","- C22 H12 Co3 O16 -","- C88 H48 Co12 O64 -","4","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.6713","synchrotron","","0.0363","0.0315","","","0.0994","0.1019","","","","","","0.923","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109825","15.425","0.002","12.1842","0.0016","16.059","0.002","90","","90","","90","","3018.1","0.7","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H25 Co1.3 Li1.4 N4 O12 -","- C29 H25 Co1.3 Li1.4 N4 O12 -","- C116 H100 Co5.2 Li5.6 N16 O48 -","4","0.5","","Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris","Anion Control in the Ionothermal Synthesis of Coordination Polymers","Journal of the American Chemical Society","2007","129","","10334","10335","10.1021/ja0737671","","","0.71073","MoKα","","0.1091","0.0882","","","0.2111","0.2199","","","","","","1.198","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109831","20.2511","0.0005","16.419","0.0004","28.0348","0.0007","90","","90","","90","","9321.6","0.4","98","2","98","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C39 H75 Al B Br Cl3 N P2 Pt Si -","- C39 H75 Al B Br Cl3 N P2 Pt Si -","- C312 H600 Al8 B8 Br8 Cl24 N8 P16 Pt8 Si8 -","8","1","","Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Achim Schneider; Fabian Seeler","Reactivity of a Platinum Iminoboryl Complex toward Lewis and Brønsted Acids","Journal of the American Chemical Society","2007","129","","10350","10351","10.1021/ja0742636","","","0.71073","MoKα","","0.0215","0.0163","","","0.0391","0.0429","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4109836","9.9385","0.0004","18.2555","0.0007","18.91","0.0007","90","","90","","90","","3430.9","0.2","90","1","90","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","C20H30O3","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","1","","Joachim Nikolai; Øystein Loe; Paulina M. Dominiak; Oksana O. Gerlitz; Jochen Autschbach; Huw M. L. Davies","Mechanistic Studies of UV Assisted [4 + 2] Cycloadditions in Synthetic Efforts toward Vibsanin E","Journal of the American Chemical Society","2007","129","","10763","10772","10.1021/ja072090e","","","0.71073","MoKα","","0.0531","0.0392","","","0.0945","0.109","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109904","14.404","0.01","31","0.02","31.23","0.02","90","","90","","90","","13945","16","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB10-diamine diiodide hydrate","","","- C86 H168 I2 N52 O62 -","- C86 H88 I2 N52 O22 -","- C344 H352 I8 N208 O88 -","4","0.5","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.147","0.1282","","","0.2711","0.2809","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109905","14.1949","0.0006","31.3303","0.0012","31.2811","0.0012","90","","90","","90","","13911.7","1","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB10","","","- C86 H145 I2 N54 O47.5 -","- C86 H90 I2 N54 O47.5 -","- C344 H360 I8 N216 O190 -","4","0.5","","Simin Liu; Peter Y. Zavalij; Yiu-Fai Lam; Lyle Isaacs","Refolding Foldamers: Triazene-Arylene Oligomers That Change Shape with Chemical Stimuli","Journal of the American Chemical Society","2007","129","","11232","11241","10.1021/ja073320s","","","0.71073","MoKα","","0.0995","0.0792","","","0.1565","0.1625","","","","","","1","","","","has coordinates,has disorder","211408","2020-10-21","18:00:00",""
"4109929","24.367","0.002","8.1958","0.0007","30.325","0.003","90","","90","","90","","6056.1","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H32 O4 -","- C40 H32 O4 -","- C320 H256 O32 -","8","1","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.0999","0.0506","","","0.1099","0.1265","","","","","","0.85","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109997","10.0635","0.0006","17.306","0.001","18.661","0.001","90","","90","","90","","3250","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 N2 O4 Ti -","- C12 H28 N2 O4 Ti -","- C96 H224 N16 O32 Ti8 -","8","1","","Michal Shavit; Dani Peri; Cesar M. Manna; Jacob S. Alexander; Edit Y. Tshuva","Active Cytotoxic Reagents Based on Non-metallocene Non-diketonato Well-Defined C2-Symmetrical Titanium Complexes of Tetradentate Bis(phenolato) Ligands","Journal of the American Chemical Society","2007","129","","12098","12099","10.1021/ja0753086","","","0.71073","MoKα","","0.0394","0.0382","","","0.0986","0.0996","","","","","","1.13","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110060","15.0967","0.0007","16.03","0.0008","31.8146","0.0015","90","","90","","90","","7699.1","0.6","220","2","220","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_5","","","- C34 H60 Hf2 N6 -","- C34 H60 Hf2 N6 -","- C272 H480 Hf16 N48 -","8","1","","Masakazu Hirotsu; Philip P. Fontaine; Peter Y. Zavalij; Lawrence R. Sita","Extreme N\τbN Bond Elongation and Facile N-Atom Functionalization Reactions within Two Structurally Versatile New Families of Group 4 Bimetallic ""Side-on-Bridged"" Dinitrogen Complexes for Zirconium and Hafnium","Journal of the American Chemical Society","2007","129","","12690","12692","10.1021/ja0752989","","","0.71073","MoKα","","0.0342","0.0224","","","0.0492","0.0547","","","","","","0.998","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110072","13.901","0.0002","20.785","0.0006","35.331","0.0009","90","","90","","90","","10208.3","0.4","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-(1-Adamantyl)-1,1,2-tris(tri-tert-butylsilyl)- 1,2-disilacycloprop-2-ene","","- C47 H96 Si5 -","- C47 H96 Si5 -","- C376 H768 Si40 -","8","1","","Masayasu Igarashi; Masaaki Ichinohe; Akira Sekiguchi","Air-Stable Disilacyclopropene with a SiC Bond and Its Conversion to Disilacyclopropenylium Ion: Silicon-Carbon Hybrid 2π-Electron Systems","Journal of the American Chemical Society","2007","129","","12660","12661","10.1021/ja075740n","","","0.7107","MoKα","","0.0823","0.0564","","","0.1634","0.1819","","","","","","1.006","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110231","12.3765","0.0019","22.114","0.003","56.385","0.009","90","","90","","90","","15432","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","guanidinium 4-tert-butylbenzenesulfonate","","","- C11 H19.8 N3 O3.4 S -","- C11 H19.8 N3 O3.4 S -","- C440 H792 N120 O136 S40 -","40","5","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.2184","0.1318","","","0.2782","0.3244","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110233","14.501","0.005","12.686","0.005","47.584","0.005","90","","90","","90","","8754","5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N3 O3 S -","- C10 H15.8333 N3 O3 S -","- C240 H380 N72 O72 S24 -","24","3","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71069","MoKα","","0.1042","0.0755","","","0.2108","0.2236","","","","","","1.111","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110256","6.8384","0.0001","14.49","0.0002","23.5088","0.0004","90","","90","","90","","2329.45","0.06","20","1","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 O5 -","- C15 H10 O5 -","- C120 H80 O40 -","8","1","","Eric J. Yearley; Elizabeth A. Zhurova; Vladimir V. Zhurov; A. Alan Pinkerton","Binding of Genistein to the Estrogen Receptor Based on an Experimental Electron Density Study","Journal of the American Chemical Society","2007","129","","15013","15021","10.1021/ja075211j","","","0.71073","MoKα","","","0.0175","","","","0.0323","","","","","","1.0211","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110288","27.596","0.006","13.69","0.003","45.419","0.009","90","","90","","90","","17159","6","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78.39 H56 I6 N16 O10 Zn3 -","- C78.379 H56 I6 N16 O10 Zn3 -","- C627.032 H448 I48 N128 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.689","synchrotron","","0.0778","0.0529","","","0.142","0.1539","","","","","","0.957","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110289","27.123","0.004","13.6817","0.0018","45.995","0.006","90","","90","","90","","17068","4","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79 H60 I6 N16 O10 Zn3 -","- C79 H60 I6 N16 O10 Zn3 -","- C632 H480 I48 N128 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0811","0.0382","","","0.0742","0.0867","","","","","","1.03","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110290","27.122","0.004","13.692","0.002","45.963","0.007","90","","90","","90","","17069","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H57 I6 N17 O8 Zn3 -","- C78 H57 I6 N17 O8 Zn3 -","- C624 H456 I48 N136 O64 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0775","0.0455","","","0.0946","0.1077","","","","","","1.041","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110291","27.286","0.003","13.6997","0.0017","45.829","0.006","90","","90","","90","","17131","4","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.82 H58.51 I6 N17.3 O8.59 Zn3 -","- C78.18 H57.152 I6 N17.032 O8.066 Zn3 -","- C625.44 H457.216 I48 N136.256 O64.528 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0865","0.0709","","","0.1579","0.1651","","","","","","1.158","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110292","27.424","0.003","13.7934","0.0014","45.907","0.005","90","","90","","90","","17365","3","80","2","80","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C78 H55 I6 N17 O10 Zn3 -","- C78 H55 I6 N17 O10 Zn3 -","- C624 H440 I48 N136 O80 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0761","0.05","","","0.1286","0.1444","","","","","","0.98","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110293","27.881","0.006","13.675","0.003","45.714","0.009","90","","90","","90","","17429","6","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.2 H79.4 I6 N13 O2 Zn3 -","- C80.082 H81.164 I6 N13 O2 Zn3 -","- C640.656 H649.312 I48 N104 O16 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0697","0.048","","","0.1124","0.1228","","","","","","1.101","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110294","27.449","0.004","13.707","0.002","45.248","0.007","90","","90","","90","","17024","4","82","2","82","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C75 H84 I6 N12 O5.07 Zn3 -","- C75 H84 I6 N12 O5.118 Zn3 -","- C600 H672 I48 N96 O40.944 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.1122","0.0645","","","0.1578","0.1811","","","","","","1.12","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110295","27.59","0.006","13.673","0.003","45.606","0.009","90","","90","","90","","17204","6","82","2","82","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C79.19 H90.83 I6 N12 O3.22 Zn3 -","- C79.371 H91.356 I6 N12 O3.307 Zn3 -","- C634.968 H730.848 I48 N96 O26.456 Zn24 -","8","1","","Masaki Kawano; Takehide Kawamichi; Tsuyoshi Haneda; Takahiro Kojima; Makoto Fujita","The Modular Synthesis of Functional Porous Coordination Networks","Journal of the American Chemical Society","2007","129","","15418","15419","10.1021/ja0752540","","","0.71073","MoKα","","0.0847","0.0442","","","0.0917","0.107","","","","","","1.007","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110297","7.6498","0.0004","16.9929","0.001","27.4065","0.0017","90","","90","","90","","3562.6","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O2 Si -","- C19 H24 O2 Si -","- C152 H192 O16 Si8 -","8","1","","Jhih-Meng Tang; Sabyasachi Bhunia; Shariar Md. Abu Sohel; Ming-Yuan Lin; Hsin-Yi Liao; Swarup Datta; Arindam Das; Rai-Shung Liu","The Skeletal Rearrangement of Gold- and Platinum-Catalyzed Cycloisomerization of cis-4,6-Dien-1-yn-3-ols: Pinacol Rearrangement and Formation of Bicyclo[4.1.0]heptenone and Reorganized Styrene Derivatives","Journal of the American Chemical Society","2007","129","","15677","15683","10.1021/ja076175r","","","0.71073","MoKα","","0.0826","0.0514","","","0.1438","0.1893","","","","","","1.131","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110333","11.2787","0.0002","8.8934","0.0002","16.4636","0.0003","90","","90","","90","","1651.4","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O3 S -","- C8 H8 O3 S -","- C64 H64 O24 S8 -","8","1","","Eli Zysman-Colman; Neysa Nevins; Nicolas Eghbali; James P. Snyder; David N. Harpp","Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure","Journal of the American Chemical Society","2006","128","","291","304","10.1021/ja0559395","","","1.54178","CuKα","","0.0434","0.0372","","","0.0954","0.0997","","","","","","1.004","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110340","16.101","0.005","17.766","0.005","20.42","0.005","90","0.005","90","0.005","90","0.005","5841","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","{hydrotris(3-isopropylpyrazol-1-yl)borato}- (2-mercaptonaphthalato)oxomolybdenum(V)","","- C28 H34 B Cl0 Mo N6 O2 S -","- C28 H34 B Mo N6 O2 S -","- C224 H272 B8 Mo8 N48 O16 S8 -","8","1","","Christian J. Doonan; David J. Nielsen; Paul D. Smith; Jonathan M. White; Graham N. George; Charles G. Young","Models for the Molybdenum Hydroxylases: Synthesis, Characterization and Reactivity of cis-Oxosulfido-Mo(VI) Complexes","Journal of the American Chemical Society","2006","128","","305","316","10.1021/ja056109u","","","0.71073","MoKα","","0.0998","0.0512","","","0.1022","0.1724","","","","","","1.647","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110420","17.939","0.004","15.43","0.003","21.338","0.004","90","","90","","90","","5906","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Co F12 N4 O3 P2 -","- C24 H25 Co F12 N4 O3 P2 -","- C192 H200 Co8 F96 N32 O24 P16 -","8","1","","Jun Tao; Hiroyuki Maruyama; Osamu Sato","Valence Tautomeric Transitions with Thermal Hysteresis around Room Temperature and Photoinduced Effects Observed in a Cobalt-Tetraoxolene Complex","Journal of the American Chemical Society","2006","128","","1790","1791","10.1021/ja057488u","","","0.71073","MoKα","","0.1405","0.0417","","","0.0649","0.0812","","","","","","0.565","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110421","17.945","0.01","7.785","0.004","43.07","0.03","90","","90","","90","","6017","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis{1-(pyridin-4-yl)-2- [2-(N-methylpyrrol-5-yl)]ethane}methane","","","- C19 H17 N3 -","- C19 H17 N3 -","- C304 H272 N48 -","16","2","","Antonio Facchetti; Luca Beverina; Milko E. van der Boom; Pulak Dutta; Guennadi Evmenenko; Atindra D. Shukla; Charlotte E. Stern; Giorgio A. Pagani; Tobin J. Marks","Strategies for Electrooptic Film Fabrication. Influence of Pyrrole-Pyridine-Based Dibranched Chromophore Architecture on Covalent Self-Assembly, Thin-Film Microstructure, and Nonlinear Optical Response","Journal of the American Chemical Society","2006","128","","2142","2153","10.1021/ja057556c","","","0.71073","MoKα","","0.2328","0.0655","","","0.1718","0.2285","","","","","","0.89","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110434","30.008","0.007","8.4","0.004","7.701","0.003","90","","90","","90","","1941.2","1.3","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 Se2 -","- C26 H16 Se2 -","- C104 H64 Se8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Hideaki Ebata; Yuta Toyoshima; Tetsuo Otsubo","2,7-Diphenyl[1]benzoselenopheno[3,2-b][1]benzoselenophene as a Stable Organic Semiconductor for a High-Performance Field-Effect Transistor","Journal of the American Chemical Society","2006","128","","3044","3050","10.1021/ja057641k","","","0.7107","MoKα","","","0.0429","","","","0.1689","","","","","","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110444","18.2932","0.0009","9.5539","0.0005","24.9971","0.0012","90","","90","","90","","4368.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(mu2-trifluoroacetateo-O,O')-bis(mu2-pivolate-O,O')-(bismuth-rhodium)","","- C14 H18 Bi F6 O8 Rh -","- C14 H18 Bi F6 O8 Rh -","- C112 H144 Bi8 F48 O64 Rh8 -","8","1","","Evgeny V. Dikarev; Bo Li; Haitao Zhang","Tuning the Properties at Heterobimetallic Core: Mixed-Ligand Bismuth-Rhodium Paddlewheel Carboxylates","Journal of the American Chemical Society","2006","128","","2814","2815","10.1021/ja058294h","","","0.71073","MoKα","","0.0231","0.0199","","","0.0437","0.0447","","","","","","1.067","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110493","17.2416","0.0003","12.1588","0.0003","29.5145","0.0005","90","","90","","90","","6187.3","0.2","277.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 F8 N4 Pd2 -","- C22 H36 B2 F8.5 N4 Pd2 -","- C176 H288 B16 F68 N32 Pd16 -","8","1","","Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa","Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes","Journal of the American Chemical Society","2006","128","","4377","4388","10.1021/ja0576740","","","0.7107","MoKα","","","0.0359","","","","0.0401","","","","","","0.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110562","7.106","0.003","13.015","0.003","37.427","0.016","90","","90","","90","","3461","2","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H4 F10 S2 -","- C20 H4 F10 S2 -","- C160 H32 F80 S16 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.1158","0.0501","","","0.1204","0.1583","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110563","7.2771","0.0016","12.8839","0.0015","29.459","0.005","90","","90","","90","","2762","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H2 F10 S -","- C16 H2 F10 S -","- C128 H16 F80 S8 -","8","1","","Myung-Han Yoon; Antonio Facchetti; Charlotte E. Stern; Tobin J. Marks","Fluorocarbon-Modified Organic Semiconductors: Molecular Architecture, Electronic, and Crystal Structure Tuning of Arene- versus Fluoroarene-Thiophene Oligomer Thin-Film Properties","Journal of the American Chemical Society","2006","128","","5792","5801","10.1021/ja060016a","","","0.71073","MoKα","","0.0623","0.0388","","","0.0918","0.104","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110668","17.3","0.004","18.041","0.004","46.692","0.009","90","","90","","90","","14573","5","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C89 H62 Cl6 N2 P2 Pt2 -","- C89 H62 Cl6 N2 P2 Pt2 -","- C712 H496 Cl48 N16 P16 Pt16 -","8","1","","Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu","Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands","Journal of the American Chemical Society","2006","128","","8297","8309","10.1021/ja061422x","","","0.71069","MoKα","","0.0888","0.0457","","","0.1267","0.1742","","","","","","1.114","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110697","16.442","0.001","16.5926","0.001","22.4396","0.0014","90","","90","","90","","6121.9","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Cl2 N2 Ru -","- C30 H34 Cl2 N2 Ru -","- C240 H272 Cl16 N16 Ru8 -","8","1","","Donde R. Anderson; Daniel D. Hickstein; Daniel J. O'Leary; Robert H. Grubbs","Model Compounds of Ruthenium-Alkene Intermediates in Olefin Metathesis Reactions","Journal of the American Chemical Society","2006","128","","8386","8387","10.1021/ja0618090","","","0.71073","MoKα","","0.1032","0.0477","","","0.0656","0.068","","","","","","1.507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110708","11.1322","0.0007","17.1778","0.0012","24.5691","0.0018","90","","90","","90","","4698.3","0.6","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 B7 O P2 Re -","- C16 H32 B7 O P2 Re -","- C128 H256 B56 O8 P16 Re8 -","8","1","","Robert Butterick; Bhaskar M. Ramachandran; Patrick J. Carroll; Larry G. Sneddon","Chemistry of Mangana- and Rhenatricarbadecaboranyl Tricarbonyl Complexes: Evidence for an Associative Mechanism of Ligand Substitution Involving an η6-η4 Cage-Slippage Process Analagous to η5-η3-Cyclopentadienyl Ring-Slippage","Journal of the American Chemical Society","2006","128","","8626","8637","10.1021/ja062201u","","","0.71069","MoKα","","0.0571","0.0273","","","0.0455","0.0517","","","","","","0.841","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110733","11.5677","0.0002","20.2995","0.0003","27.9851","0.0006","90","","90","","90","","6571.4","0.2","200","","200","","","","","","","","local","6","P b c a","-P 2ac 2ab","61","","","","- C17 H28.98 B11 Br6.02 Cl2 O2 -","- C17 H28.981 B11 Br6.0194 Cl2 O2 -","- C136 H231.848 B88 Br48.1552 Cl16 O16 -","8","1","","Stephen B. Lee; Anthony C. Willis; Richard D. Webster","Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions","Journal of the American Chemical Society","2006","128","","9332","9333","10.1021/ja0634268","","","0.71073","MoKα","","0.0771","0.0321","","0.0716","0.0655","0.0716","","","","","","0.7283","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110773","18.183","0.003","20.6485","0.0017","21.68","0.003","90","","90","","90","","8139.8","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H59 F3 N2 O3 S Si2 -","- C38 H59 F3 N2 O3 S Si2 -","- C304 H472 F24 N16 O24 S8 Si16 -","8","1","","Matthias Driess; Shenglai Yao; Markus Brym; Christoph van Wüllen; Dieter Lentz","A New Type of N-Heterocyclic Silylene with Ambivalent Reactivity","Journal of the American Chemical Society","2006","128","","9628","9629","10.1021/ja062928i","","","0.71073","MoKα","","0.1042","0.0651","","","0.1069","0.1171","","","","","","1.098","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110841","15.461","0.0005","14.468","0.0006","20.536","0.0011","90","","90","","90","","4593.7","0.3","130","2","130","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ADIT_OX_Zn","ADIT_OX_Zn","","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C14 H30 Cl3 Fe N4 O S2 Zn -","- C112 H240 Cl24 Fe8 N32 O8 S16 Zn8 -","8","1","","Priscilla Lugo-Mas; Abhishek Dey; Liang Xu; Steven D. Davin; Jason Benedict; Werner Kaminsky; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Julie A. Kovacs","How Does Single Oxygen Atom Addition Affect the Properties of an Fe-Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate","Journal of the American Chemical Society","2006","128","","11211","11221","10.1021/ja062706k","","","0.71073","MoKα","","0.1452","0.0466","","","0.06","0.0734","","","","","","1.001","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110849","16.6596","0.0005","13.408","0.0006","20.9886","0.0009","90","","90","","90","","4688.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H36 B2 O5 -","- C22 H36 B2 O5 -","- C176 H288 B16 O40 -","8","1","","David S. Laitar; Emily Y. Tsui; Joseph P. Sadighi","Catalytic Diboration of Aldehydes via Insertion into the Copper-Boron Bond","Journal of the American Chemical Society","2006","128","","11036","11037","10.1021/ja064019z","","","0.71073","MoKα","","0.0696","0.0603","","","0.1571","0.1655","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110889","8.2632","0.0011","13.7649","0.0017","19.649","0.003","90","","90","","90","","2234.9","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cl O Pt -","- C11 H17 Cl O Pt -","- C88 H136 Cl8 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0386","0.0278","","","0.0566","0.0596","","","","","","1.07","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110891","13.6535","0.0006","11.685","0.0005","18.6671","0.0008","90","","90","","90","","2978.2","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F3 O Pt -","- C15 H22 B F3 O Pt -","- C120 H176 B8 F24 O8 Pt8 -","8","1","","Endre Szuromi; Jianguo Wu; Paul R. Sharp","Reversible Alkene Extrusion from Platinaoxetanes","Journal of the American Chemical Society","2006","128","","12088","12089","10.1021/ja065207s","","","0.71073","MoKα","","0.0398","0.0287","","","0.0614","0.0669","","","","","","1.038","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110999","9.9734","0.0003","24.3803","0.0007","16.6163","0.0004","90","","90","","90","","4040.33","0.19","173","2","173","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C19 H37 N2 P -","- C19 H37 N2 P -","- C152 H296 N16 P8 -","8","1","","Natalie E. Mansfield; Joanna Grundy; Martyn P. Coles; Anthony G. Avent; Peter B. Hitchcock","A Conformational Study of Phospha(III)- and Phospha(V)-guanidine Compounds","Journal of the American Chemical Society","2006","128","","13879","13893","10.1021/ja064212t","","x-ray","0.71073","MoKα","","0.0823","0.0557","","","0.1356","0.1534","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111032","11.7432","0.0002","11.5531","0.0004","22.8714","0.0009","90","","90","","90","","3102.97","0.17","150","1","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Br N P2 Si -","- C8 H24 Br N P2 Si -","- C64 H192 Br8 N8 P16 Si8 -","8","1","","Keith Huynh; Alan J. Lough; Ian Manners","Reactions of P-Donor Ligands with N-Silyl(halogeno)organophosphoranimines: Formation of Cations with P-P Coordination Bonds and Poly(alkyl/aryl)phosphazenes at Ambient Temperature","Journal of the American Chemical Society","2006","128","","14002","14003","10.1021/ja063979i","","","0.71073","MoKα","","0.0704","0.0395","","","0.0859","0.0983","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111035","17.444","0.003","16.079","0.003","20.064","0.004","90","","90","","90","","5627.6","1.8","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H78 La2 N4 O2 -","- C64 H78 La2 N4 O2 -","- C256 H312 La8 N16 O8 -","4","0.5","","William J. Evans; David S. Lee; Joseph W. Ziller; Nikolas Kaltsoyannis","Trivalent [(C5Me5)2(THF)Ln]2(μ-η2:η2-N2) Complexes as Reducing Agents Including the Reductive Homologation of CO to a Ketene Carboxylate, (μ-η4-O2CCCO)2-","Journal of the American Chemical Society","2006","128","","14176","14184","10.1021/ja0640851","","","0.71073","MoKα","","0.0337","0.0201","","","0.042","0.05","","","","","","1.089","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111039","25.214","0.006","13.624","0.004","40.469","0.009","90","","90","","90","","13902","6","90","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H32 F12 N6 Ni O2 P2 -","- C28 H32 F12 N6 Ni O2 P2 -","- C448 H512 F192 N96 Ni16 O32 P32 -","16","2","","Keita Osanai; Atsushi Okazawa; Takashi Nogami; Takayuki Ishida","Strong Ferromagnetic Exchange Couplings in Copper(II) and Nickel(II) Complexes with a Paramagnetic Tridentate Chelate Ligand, 2,2'-Bipyridin-6-yl tert-Butyl Nitroxide","Journal of the American Chemical Society","2006","128","","14008","14009","10.1021/ja065623c","","","1.54178","CuKα","","","0.0569","","","","0.0562","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111047","17.136","0.005","7.522","0.002","18.116","0.006","90","","90","","90","","2335.1","1.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 N2 O7 P2 -","- C7 H14 N2 O7 P2 -","- C56 H112 N16 O56 P16 -","8","1","","Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield","Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes","Journal of the American Chemical Society","2006","128","","14485","14497","10.1021/ja061737c","","","0.71073","MoKα","","0.0815","0.0479","","","0.1077","0.1175","","","","","","0.998","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111144","15.233","0.0016","13.7399","0.0014","25.621","0.003","90","","90","","90","","5362.5","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Me3NN]Cu(CNBut)","","","- C28 H38 Cu N3 -","- C28 H38 Cu N3 -","- C224 H304 Cu8 N24 -","8","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.0502","0.0329","","","0.0923","0.0991","","","","","","1.093","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111201","13.76","0.006","14.269","0.006","16.488","0.007","90","","90","","90","","3237","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N4 O5 S -","- C15 H16 N4 O5 S -","- C120 H128 N32 O40 S8 -","8","1","","Cheol-Min Park; Tetsuro Oie; Andrew M. Petros; Haichao Zhang; Paul M. Nimmer; Rodger F. Henry; Steven W. Elmore","Design, Synthesis, and Computational Studies of Inhibitors of Bcl-XL","Journal of the American Chemical Society","2006","128","","16206","16212","10.1021/ja0650347","","","0.71073","MoKα","","0.045","0.041","","","0.1153","0.1181","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111211","22.865","0.0018","18.6091","0.0014","29.1411","0.0019","90","","90","","90","","12399.5","1.6","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C63 H66 B7 Fe2 Ir N2 O5 P2 -","- C504 H528 B56 Fe16 Ir8 N16 O40 P16 -","8","1","","Andreas Franken; Thomas D. McGrath; F. Gordon A. Stone","Iridium-Iron-Monocarborane Clusters from Oxidative Insertion Reactions of [IrCl(CO)(PPh~3~)~2~] with Ferracarborane Anions","Journal of the American Chemical Society","2006","128","","16169","16177","10.1021/ja065042n","","","0.71073","MoKα","","0.0839","0.0398","","","0.0649","0.0783","","","","","","1.019","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111344","18.0285","0.0003","16.6735","0.0003","21.7549","0.0004","90","","90","","90","","6539.5","0.2","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H31 Cl2 O P2 Re -","- C36 H31 Cl2 O P2 Re -","- C288 H248 Cl16 O8 P16 Re8 -","8","1","","Guodong Du; Phillip E. Fanwick; Mahdi M. Abu-Omar","Mechanistic Insight into Hydrosilylation Reactions Catalyzed by High Valent Re\τbX (X = O, NAr, or N) Complexes: The Silane (SiH) Does Not Add across the Metal-Ligand Multiple Bond","Journal of the American Chemical Society","2007","129","","5180","5187","10.1021/ja068872+","","","0.71073","MO-Kα","","0.092","0.055","","","0.146","0.163","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111399","21.367","0.006","19.888","0.005","23.787","0.006","90","","90","","90","","10108","5","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H28 Br2 N2 -","- C13 H28 Br2 N2 -","- C312 H672 Br48 N48 -","24","3","","Jared L. Anderson; Rongfang Ding; Arkady Ellern; Daniel W. Armstrong","Structure and Properties of High Stability Geminal Dicationic Ionic Liquids","Journal of the American Chemical Society","2005","127","","593","604","10.1021/ja046521u","","","0.71073","MoKα","","0.1012","0.0696","","","0.1619","0.1806","","","","","","1.055","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111451","16.027","0.004","14.913","0.004","23.619","0.008","90","","90","","90","","5645","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","BiCych-18-crown-6 K * DNB","Bis(cyclohexano)-18-crown-6 potassium dinitrobenzene","","- C26 H40 K N2 O10 -","- C26 H40 K N2 O10 -","- C208 H320 K8 N16 O80 -","8","1","","Jian-Ming Lü; Sergiy V. Rosokha; Sergey V. Lindeman; Ivan S. Neretin; Jay K. Kochi","""Separated"" versus ""Contact"" Ion-Pair Structures in Solution from Their Crystalline States: Dynamic Effects on Dinitrobenzenide as a Mixed-Valence Anion","Journal of the American Chemical Society","2005","127","","1797","1809","10.1021/ja043998x","","","0.71073","MoKα","","0.1355","0.0492","","","0.0971","0.1114","","","","","","0.762","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111468","14.4356","0.0004","15.5402","0.0003","25.6347","0.0006","90","","90","","90","","5750.7","0.2","116.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H39 N Zr -","- C37 H39 N Zr -","- C296 H312 N8 Zr8 -","8","1","","Forrest E. Michael; Andrew P. Duncan; Zachary K. Sweeney; Robert G. Bergman","Rearrangements and Stereomutations of Metallacycles Derived from Allenes and Imidozirconium Complexes","Journal of the American Chemical Society","2005","127","","1752","1764","10.1021/ja045607k","","","0.7107","MoKα","","","0.0381","","","","0.0428","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111475","11.154","0.001","24.671","0.003","35.434","0.006","90","","90","","90","","9751","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H50 Cl2 Os P2 -","- C59 H50 Cl2 Os P2 -","- C472 H400 Cl16 Os8 P16 -","8","1","","Ting Bin Wen; Wai Yiu Hung; Herman H. Y. Sung; Ian D. Williams; Guochen Jia","Syntheses of Metallabenzynes from an Allenylcarbene Complex","Journal of the American Chemical Society","2005","127","","2856","2857","10.1021/ja0429061","","","0.71073","MoKα","","0.143","0.059","","","0.1126","0.1426","","","","","","1.009","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111501","12.0824","0.0002","21.391","0.0002","34.5673","0.0005","90","","90","","90","","8934.1","0.2","150","","150","","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C44 H52 Cl4 F6 N4 P Rh -","- C44 H52 Cl4 F6 N4 P Rh -","- C352 H416 Cl32 F48 N32 P8 Rh8 -","8","1","","Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta","Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2005","127","","3290","3291","10.1021/ja0423769","","","0.71073","MoKα","","0.1039","0.0513","","0.0961","0.059","0.059","","","","","","1.1105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4111511","17.8355","0.0009","16.9486","0.0009","19.1715","0.001","90","","90","","90","","5795.3","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl Ir N4 -","- C28 H44 Cl Ir N4 -","- C224 H352 Cl8 Ir8 N32 -","8","1","","Natalie M. Scott; Reto Dorta; Edwin D. Stevens; Andrea Correa; Luigi Cavallo; Steven P. Nolan","Interaction of a Bulky N-Heterocyclic Carbene Ligand with Rh(I) and Ir(I). Double C-H Activation and Isolation of Bare 14-Electron Rh(III) and Ir(III) Complexes","Journal of the American Chemical Society","2005","127","","3516","3526","10.1021/ja043249f","","","0.71073","MoKα","","0.0789","0.0707","","","0.1219","0.1247","","","","","","1.24","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111516","7.3528","0.0001","8.1884","0.0001","28.6857","0.0005","90","","90","","90","","1727.1","0.04","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.065","","","","0.1821","","","","","","1.487","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111517","7.264","0.003","8.432","0.002","36.215","0.007","90","","90","","90","","2218.2","1.1","298.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H18 S2 -","- C32 H18 S2 -","- C128 H72 S8 -","4","0.5","","Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo","2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors","Journal of the American Chemical Society","2005","127","","3605","3612","10.1021/ja043429p","","","0.7107","MoKα","","","0.0405","","","","0.1539","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111565","15.5367","0.0012","21.1012","0.0016","25.2473","0.0019","90","","90","","90","","8277.2","1.1","183","2","183","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H60 Fe N4 Na O6 -","- C40 H60 Fe N4 Na O6 -","- C320 H480 Fe8 N32 Na8 O48 -","8","1","","Julien Bachmann; Daniel G. Nocera","Multielectron Redox Chemistry of Iron Porphyrinogens","Journal of the American Chemical Society","2005","127","","4730","4743","10.1021/ja043132r","","","0.71073","MoKα","","0.0962","0.0962","","","0.1867","0.1867","","","","","","1.479","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111570","29.26","0.005","20.671","0.005","40.344","0.008","90","","90","","90","","24401","9","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C82 H184 O48 Ti16 -","- C82 H184 O48 Ti16 -","- C656 H1472 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71073","MoKα","","0.1223","0.0656","","","0.1042","0.1114","","","","","","0.978","","","","has coordinates,has disorder","178886","2020-10-21","18:00:00",""
"4111571","29.765","0.01","21.014","0.016","40.2","0.02","90","","90","","90","","25144","2","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C86 H192 O48 Ti16 -","- C85.999 H74 O48 Ti16 -","- C687.992 H592 O384 Ti128 -","8","1","","Giulia Fornasieri; Laurence Rozes; Stéphanie Le Calvé; Bruno Alonso; Dominique Massiot; Marie Noëlle Rager; Michel Evain; Kamal Boubekeur; Clément Sanchez","Reactivity of Titanium Oxo Ethoxo Cluster [Ti16O16(OEt)32]. Versatile Precursor of Nanobuilding Block-Based Hybrid Materials","Journal of the American Chemical Society","2005","127","","4869","4878","10.1021/ja043330i","","","0.71069","MoKα","","0.1268","0.0684","","","0.1584","0.1749","","","","1.9","1.9","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111572","14.6284","0.0011","14.136","0.0011","15.2538","0.0012","90","","90","","90","","3154.3","0.4","213","2","213","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Co(depa)Cl2","","","- C14 H17 Cl2 Co N3 -","- C14 H17 Cl2 Co N3 -","- C112 H136 Cl16 Co8 N24 -","8","1","","John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang","Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments","Journal of the American Chemical Society","2005","127","","4895","4902","10.1021/ja044185b","","","0.71073","MoKα","","0.0328","0.0264","","","0.0694","0.075","","","","","","1.034","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111634","11.1163","0.0006","9.5844","0.0005","23.1449","0.0013","90","","90","","90","","2465.9","0.2","174","2","174","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 O3 P -","- C14 H11 O3 P -","- C112 H88 O24 P8 -","8","1","","Toyoharu Miyagawa; Akira Furuko; Katsuhiro Maeda; Hiroshi Katagiri; Yoshio Furusho; Eiji Yashima","Dual Memory of Enantiomeric Helices in a Polyacetylene Induced by a Single Enantiomer","Journal of the American Chemical Society","2005","127","","5018","5019","10.1021/ja0509634","","","0.71073","MoKα","","0.0411","0.0384","","","0.1074","0.1102","","","","","","1.054","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4111733","19.3","0.004","9.2553","0.0018","25.467","0.005","90","","90","","90","","4549.1","1.6","218","2","218","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H26 B N4 -","- C30 H26 B N4 -","- C240 H208 B8 N32 -","8","1","","Swadhin K. Mandal; Mikhail E. Itkis; Xiaoliu Chi; Satyabrata Samanta; David Lidsky; Robert W. Reed; Richard T. Oakley; Fook S. Tham; Robert C. Haddon","New Family of Aminophenalenyl-Based Neutral Radical Molecular Conductors: Synthesis, Structure, and Solid State Properties","Journal of the American Chemical Society","2005","127","","8185","8196","10.1021/ja0502728","","","0.71073","MoKα","","0.0788","0.0443","","","0.0948","0.1209","","","","","","1.03","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111740","17.983","0.007","26.93","0.01","28.196","0.01","90","","90","","90","","13655","9","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H8 Au2 Cl2 F30 N6 -","- C74 H8 Au2 Cl2 F30 N6 -","- C592 H64 Au16 Cl16 F240 N48 -","8","1","","Shigeki Mori; Atsuhiro Osuka","Aromatic and Antiaromatic Gold(III) Hexaphyrins with Multiple Gold-Carbon Bonds","Journal of the American Chemical Society","2005","127","","8030","8031","10.1021/ja051662x","","","0.71073","MoKα","","0.076","0.0507","","","0.1277","0.1451","","","","","","1.081","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111814","17.3267","0.0013","7.2617","0.0005","21.9512","0.0016","90","","90","","90","","2761.9","0.3","223","2","223","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","1","","Fuke Wang; Ming-Yong Han; Khine Yi Mya; Yubo Wang; Yee-Hing Lai","Aggregation-Driven Growth of Size-Tunable Organic Nanoparticles Using Electronically Altered Conjugated Polymers","Journal of the American Chemical Society","2005","127","","10350","10355","10.1021/ja0521730","","","0.71073","MoKα","","0.0777","0.048","","","0.101","0.1103","","","","","","0.905","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111827","13.95","0.0013","19.151","0.0018","22.413","0.002","90","","90","","90","","5987.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H43 B2 N3 -","- C34 H43 B2 N3 -","- C272 H344 B16 N24 -","8","1","","Carsten Präsang; Bruno Donnadieu; Guy Bertrand","Stable Planar Six-π-Electron Six-Membered N-Heterocyclic Carbenes with Tunable Electronic Properties","Journal of the American Chemical Society","2005","127","","10182","10183","10.1021/ja052987g","","","0.71073","MoKα","","0.0814","0.0482","","","0.1149","0.1324","","","","","","1.021","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111833","7.5058","0.0015","7.7076","0.0015","22.691","0.005","90","","90","","90","","1312.7","0.5","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2A4MP","2-Amino-4-methylphenol","","- C7 H9 N O -","- C7 H9 N O -","- C56 H72 N8 O8 -","8","1","","Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard","Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures","Journal of the American Chemical Society","2005","127","","10545","10559","10.1021/ja042738c","","","0.71073","MoKα","","0.0419","0.039","","","0.108","0.1112","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111850","15.584","0.003","32.374","0.004","15.4767","0.0016","90","","90","","90","","7808","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H56 B2 Fe N4 Na2 O6 -","- C32 H56 B2 Fe N4 Na2 O6 -","- C256 H448 B16 Fe8 N32 Na16 O48 -","8","1","","Alireza Haghiri Ilkhechi; Jose M. Mercero; Iñaki Silanes; Michael Bolte; Matthias Scheibitz; Hans-Wolfram Lerner; Jesus M. Ugalde; Matthias Wagner","A Joint Experimental and Theoretical Study of Cation-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)","Journal of the American Chemical Society","2005","127","","10656","10666","10.1021/ja051544+","","","0.71073","MoKα","","0.1884","0.0737","","","0.1491","0.1917","","","","","","0.84","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111866","7.6184","0.0006","9.5951","0.0007","17.0181","0.0009","90","","90","","90","","1244.01","0.15","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C9 H8 -","- C9 H8 -","- C72 H64 -","8","1","","Emilio Bustelo; Carine Guérot; Alain Hercouet; Bertrand Carboni; Loïc Toupet; Pierre H. Dixneuf","An Opened Route to 1,3-Dimethylenecyclobutanes via Sequential Ruthenium-Catalyzed [2 + 2] Cycloaddition of Allenyl Boronate and Palladium Suzuki Coupling","Journal of the American Chemical Society","2005","127","","11582","11583","10.1021/ja051930r","","","0.71069","MoKα","","0.1106","0.0671","","","0.1599","0.1953","","","","","","1.071","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111879","13.389","0.002","20.618","0.004","9.686","0.002","90","","90","","90","","2673.9","0.9","297.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C104 H144 N16 O24 -","8","1","","Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka","Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines","Journal of the American Chemical Society","2005","127","","11610","11611","10.1021/ja053855q","","","1.5418","CuKα","","","0.0448","","","","0.1658","","","","","","1.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111983","11.736","0.003","16.546","0.004","24.984","0.005","90","","90","","90","","4851","2","297","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C32 H32 -","- C32 H32 -","- C256 H256 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.1009","0.0514","","","0.116","0.1391","","","","","","1.002","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111984","11.8625","0.0006","16.636","0.0008","25.452","0.001","90","","90","","90","","5022.8","0.4","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C34 H36 -","- C34 H36 -","- C272 H288 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0753","0.0474","","","0.1017","0.1132","","","","","","1.032","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112079","18.3245","0.0011","12.7484","0.0007","20.575","0.0012","90","","90","","90","","4806.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C17 H28 Cl2 N2 Ni O4 S2 W -","- C136 H224 Cl16 N16 Ni8 O32 S16 W8 -","8","1","","Marilyn V. Rampersad; Stephen P. Jeffery; Melissa L. Golden; Jonghyuk Lee; Joseph H. Reibenspies; Donald J. Darensbourg; Marcetta Y. Darensbourg","Characterization of Steric and Electronic Properties of NiN2S2 Complexes as S-Donor Metallodithiolate Ligands","Journal of the American Chemical Society","2005","127","","17323","17334","10.1021/ja055051g","","","0.71073","MoKα","","0.0701","0.049","","","0.1078","0.1151","","","","","","0.992","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112144","8.954","0.002","10.807","0.002","22.464","0.008","90","","90","","90","","2173.7","1","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H12 N4 Se -","- C9 H12 N4 Se -","- C72 H96 N32 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.12","0.0694","","0.2273","0.1727","","","","1.075","1.063","1.063","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112145","8.174","0.002","10.957","0.003","23.736","0.006","90","","90","","90","","2125.9","0.9","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 I N Se -","- C9 H12 I N Se -","- C72 H96 I8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.0293","0.0232","","0.0611","0.0579","","","","1.095","1.121","1.121","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112146","7.723","0.002","10.9085","0.0011","23.556","0.006","90","","90","","90","","1984.5","0.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Cl N Se -","- C9 H12 Cl N Se -","- C72 H96 Cl8 N8 Se8 -","8","1","","Thomas M. Klapötke; Burkhard Krumm; Kurt Polborn","Isolation of a Stable Covalent Selenium Azide RSeN3","Journal of the American Chemical Society","2004","126","","710","711","10.1021/ja038975h","","","0.71073","MoKα","","0.053","0.0377","","0.1182","0.1054","","","","1.093","1.138","1.138","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112157","13.8689","0.0007","8.0185","0.0004","20.0898","0.0011","90","","90","","90","","2234.1","0.2","123","2","123","2","","","","","","","chemical synthesis","4","P b c a","-P 2ac 2ab","61","","1,4-bis(phenothiazin-10-yl)benzene","","- C30 H20 N2 S2 -","- C30 H20 N2 S2 -","- C120 H80 N8 S8 -","4","0.5","","Duoli Sun; Sergiy V. Rosokha; Jay K. Kochi","Donor-Acceptor (Electronic) Coupling in the Precursor Complex to Organic Electron Transfer: Intermolecular and Intramolecular Self-Exchange between Phenothiazine Redox Centers","Journal of the American Chemical Society","2004","126","","1388","1401","10.1021/ja038746v","","","0.71073","MoKα","","0.0458","0.0408","","0.1189","0.1079","","","","1.055","1.062","1.062","","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112180","12.5095","0.0009","13.2254","0.001","20.9777","0.0016","90","","90","","90","","3470.6","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B F3 N -","- C20 H21 B F3 N -","- C160 H168 B8 F24 N8 -","8","1","","Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?","Journal of the American Chemical Society","2004","126","","1342","1343","10.1021/ja0396854","","","0.71073","MoKα","","0.0848","0.0451","","","0.094","0.1111","","","","","","1.009","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112281","17.0807","0.0013","12.3173","0.001","19.5782","0.0015","90","","90","","90","","4119","0.6","96","2","96","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl Cu N S2 -","- C20 H26 Cl Cu N S2 -","- C160 H208 Cl8 Cu8 N8 S16 -","8","1","","Seth B. Harkins; Jonas C. Peters","Amido-Bridged Cu2N2 Diamond Cores that Minimize Structural Reorganization and Facilitate Reversible Redox Behavior between a Cu1Cu1 and a Class III Delocalized Cu1.5Cu1.5 Species","Journal of the American Chemical Society","2004","126","","2885","2893","10.1021/ja037364m","","","0.71073","MoKα","","0.0664","0.0381","","","0.0694","0.0753","","","","","","1.235","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112282","7.7325","0.001","15.6579","0.0013","35.803","0.002","90","","90","","90","","4334.8","0.7","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H33 Al N2 O2 -","- C23 H33 Al N2 O2 -","- C184 H264 Al8 N16 O16 -","8","1","","Pimpa Hormnirun; Edward L. Marshall; Vernon C. Gibson; Andrew J. P. White; David J. Williams","Remarkable Stereocontrol in the Polymerization of Racemic Lactide Using Aluminum Initiators Supported by Tetradentate Aminophenoxide Ligands","Journal of the American Chemical Society","2004","126","","2688","2689","10.1021/ja038757o","","","1.54178","CuKα","","0.0572","0.0451","","","0.1141","0.1202","","","","","","1.021","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112311","12.4683","0.0007","29.6664","0.0015","12.408","0.0005","90","","90","","90","","4589.6","0.4","297","2","297","2","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C12 H29 Cl2 N7 O10 Zn -","- C12 H29 Cl2 N7 O10.43 Zn -","- C96 H232 Cl16 N56 O83.44 Zn8 -","8","1","","Michael Subat; Andrew S. Borovik; Burkhard König","Synthetic Creatinine Receptor: Imprinting of a Lewis Acidic Zinc(II)cyclen Binding Site to Shape Its Molecular Recognition Selectivity","Journal of the American Chemical Society","2004","126","","3185","3190","10.1021/ja038980l","","","0.71073","MoKα","","0.0555","0.0469","","","0.1322","0.1386","","","","","","1.063","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112365","10.0868","0.0003","12.7692","0.0004","22.9818","0.0007","90","","90","","90","","2960.06","0.16","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O -","- C19 H24 O -","- C152 H192 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0735","0.0515","","","0.1471","0.1683","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112366","11.0402","0.0003","10.0777","0.0003","28.1303","0.0007","90","","90","","90","","3129.77","0.15","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O -","- C20 H26 O -","- C160 H208 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0734","0.0487","","","0.129","0.1445","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112368","7.957","0.0002","14.1777","0.0004","24.8445","0.0006","90","","90","","90","","2802.76","0.13","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O -","- C18 H22 O -","- C144 H176 O8 -","8","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.105","0.0551","","","0.1494","0.1743","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112383","18.3293","0.0001","17.9586","0.0004","20.499","0.0001","90","","90","","90","","6747.63","0.16","168","","168","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H50 P2 Si W -","- C35 H50 P2 Si W -","- C280 H400 P16 Si8 W8 -","8","1","","Benjamin V. Mork; T. Don Tilley","Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes","Journal of the American Chemical Society","2004","126","","4375","4385","10.1021/ja030548g","","","0.7107","MoKα","","0.0868","0.0234","","0.0366","0.0222","0.0222","","","","","","0.646","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112385","23.254","0.002","13.8095","0.0015","25.875","0.003","90","","90","","90","","8309.1","1.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Dipp*SnCH2parat-butylbenzyl)2.0.5hexane","","","- C89 H120 Sn2 -","- C88 H121 Sn2 -","- C352 H484 Sn8 -","4","0.5","","Corneliu Stanciu; Anne F. Richards; Philip P. Power","Characterization of Ar'Sn(μ-Br)Sn(Ar')CH2C6H4-4-Pri (Ar' = C6H3-2,6-Dipp2; Dipp = C6H3-2,6-Pri2): A Stable Structural Analogue for a Heavier Group 14 Element Monobridged Alkene Isomer HM(μ-H)MH2 (M = Sn or Pb)","Journal of the American Chemical Society","2004","126","","4106","4107","10.1021/ja0316871","","","0.71073","MoKα","","0.0877","0.0607","","","0.1607","0.1775","","","","","","0.949","","","","has coordinates,has disorder","178894","2020-10-21","18:00:00",""
"4112609","27.3585","0.0014","26.8697","0.0015","29.4776","0.0016","90","","90","","90","","21669","2","123","2","123","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","1.Cl2.4.5CH2Cl2","","","- C112.5 H87 Au Cl11 N6 O0 P6 Pd Tl -","- C112.5 H87 Au Cl11 N6 P6 Pd Tl -","- C900 H696 Au8 Cl88 N48 P48 Pd8 Tl8 -","8","1","","Vincent J. Catalano; Mark A. Malwitz","Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction","Journal of the American Chemical Society","2004","126","","6560","6561","10.1021/ja048800n","","","0.71073","MoKα","","0.0858","0.0593","","","0.167","0.1827","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112677","18.62","0.002","17.399","0.002","36.26","0.006","90","","90","","90","","11747","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex 5","","","- C70 H70 B2 Co N6 -","- C70 H70 B2 Co N6 -","- C560 H560 B16 Co8 N48 -","8","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.1407","0.0519","","","0.1142","0.1443","","","","","","1.01","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112736","15.0844","0.0018","11.137","0.002","27.709","0.005","90","0.003","90","0.003","90","0.003","4655","1.3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 Cd F12 N2 O4 -","- C16 H18 Cd F12.018 N2 O4 -","- C128 H144 Cd8 F96.144 N16 O32 -","8","1","","Andrew W. Metz; John R. Ireland; Jian-Guo Zheng; Ricardo P. S. M. Lobo; Yu Yang; Jun Ni; Charlotte L. Stern; Vinayak P. Dravid; Nicole Bontemps; Carl R. Kannewurf; Kenneth R. Poeppelmeier; Tobin J. Marks","Transparent Conducting Oxides: Texture and Microstructure Effects on Charge Carrier Mobility in MOCVD-Derived CdO Thin Films Grown with A Thermally Stable, Low-Melting Precursor","Journal of the American Chemical Society","2004","126","","8477","8492","10.1021/ja039232z","","","0.71069","MoKα","","0.0659","0.0593","","","0.1248","0.1292","","","","","","1.171","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112748","15.054","0.004","15.617","0.004","17.04","0.005","90","","90","","90","","4006.1","1.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H35 Cl N Rh -","- C19 H35 Cl N Rh -","- C152 H280 Cl8 N8 Rh8 -","8","1","","Vincent Lavallo; John Mafhouz; Yves Canac; Bruno Donnadieu; Wolfgand W. Schoeller; Guy Bertrand","Synthesis, Reactivity, and Ligand Properties of a Stable Alkyl Carbene","Journal of the American Chemical Society","2004","126","","8670","8671","10.1021/ja047503f","","","0.71073","MoKα","","0.0397","0.0284","","","0.0676","0.0767","","","","","","1.076","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112778","8.569","0.0014","11.644","0.002","27.952","0.005","90","","90","","90","","2789","0.8","298","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 O2 S3 -","- C12 H20 O2 S3 -","- C96 H160 O16 S24 -","8","1","","Juzo Nakayama; Satoshi Aoki; Jun Takayama; Akira Sakamoto; Yoshiaki Sugihara; Akihiko Ishii","Reversible Disulfur Monoxide (S2O)-Forming Retro-Diels-Alder Reaction. Disproportionation of S2O to Trithio-Ozone (S3) and Sulfur Dioxide (SO2) and Reactivities of S2O and S3","Journal of the American Chemical Society","2004","126","","9085","9093","10.1021/ja047729i","","","0.71073","MoKα","","0.1302","0.0742","","","0.1764","0.1951","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112884","11.8634","0.0009","6.4554","0.0005","17.1787","0.0013","90","","90","","90","","1315.6","0.17","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H4 N2 O2 S -","- C5 H4 N2 O2 S -","- C40 H32 N16 O16 S8 -","8","1","","Michael T. Ashby; Halikhedkar Aneetha","Reactive Sulfur Species: Aqueous Chemistry of Sulfenyl Thiocyanates","Journal of the American Chemical Society","2004","126","","10216","10217","10.1021/ja048585a","","","0.71073","MoKα","","0.0411","0.0389","","","0.1106","0.113","","","","","","1.051","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4112932","16.448","0.01","12.384","0.008","28.996","0.017","90","","90","","90","","5906","6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H21 Fe N4 O2 S2 -","- C10 H21 Fe N4 O2 S2 -","- C160 H336 Fe16 N64 O32 S32 -","16","2","","Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2","Journal of the American Chemical Society","2004","126","","10867","10874","10.1021/ja049627y","","","0.71073","MoKα","","0.1546","0.0581","","","0.1219","0.1481","","","","","","0.868","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112980","23.374","0.002","19.273","0.002","25.05","0.002","90","","90","","90","","11284.7","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54.5 H82.5 Cl1.5 F N9 O7 -","- C52 H78 F N9 O6 -","- C416 H624 F8 N72 O48 -","8","1","","Sung Ok Kang; David VanderVelde; Douglas Powell; Kristin Bowman-James","Fluoride-Facilitated Deuterium Exchange from DMSO-d6 to Polyamide-Based Cryptands","Journal of the American Chemical Society","2004","126","","12272","12273","10.1021/ja046078n","","","0.71073","MoKα","","0.0644","0.0533","","","0.1468","0.1543","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4112989","16.404","0.003","13.744","0.003","16.728","0.003","90","","90","","90","","3771.4","1.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H34 B6 Cr P2 -","- C6 H34 B6 Cr P2 -","- C48 H272 B48 Cr8 P16 -","8","1","","Dean M. Goedde; Gregory S. Girolami","A New Class of CVD Precursors to Metal Borides: Cr(B3H8)2 and Related Octahydrotriborate Complexes","Journal of the American Chemical Society","2004","126","","12230","12231","10.1021/ja046906c","","","0.71073","MoKα","","0.0735","0.0349","","","0.074","0.0842","","","","","","0.936","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4113002","13.811","0.002","7.1564","0.0011","15.092","0.002","90","","90","","90","","1491.6","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Jun-Li Hou; Xue-Bin Shao; Guang-Ju Chen; Yan-Xia Zhou; Xi-Kui Jiang; Zhan-Ting Li","Hydrogen Bonded Oligohydrazide Foldamers and Their Recognition for Saccharides","Journal of the American Chemical Society","2004","126","","12386","12394","10.1021/ja047436p","","","0.71073","MoKα","","0.1227","0.0482","","","0.0818","0.0954","","","","","","0.79","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113014","11.931","0.003","11.152","0.002","12.3422","0.0013","90","","90","","90","","1642.2","0.5","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 -","- C20 H24 Cl2 -","- C80 H96 Cl8 -","4","0.5","","Aswini K. Dash; Tryg R. Jensen; Charlotte L. Stern; Tobin J. Marks","Frustrated β-Chloride Elimination. Selective Arene Alkylation by α-Chloronorbornene Catalyzed by Electrophilic Metallocenium Ion Pairs","Journal of the American Chemical Society","2004","126","","12528","12540","10.1021/ja047828w","","","0.71073","MoKα","","0.0438","0.0381","","","0.1071","0.1134","","","","","","1.061","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113042","20.723","0.006","15.213","0.004","28.909","0.008","90","","90","","90","","9114","4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H72 O4 P2 Ru2 S2 -","- C43 H72 O4 P2 Ru2 S2 -","- C344 H576 O32 P16 Ru16 S16 -","8","1","","Aaron K. Justice; Rachel C. Linck; Thomas B. Rauchfuss; Scott R. Wilson","Dihydrogen Activation by a Diruthenium Analogue of the Fe-Only Hydrogenase Active Site","Journal of the American Chemical Society","2004","126","","13214","13215","10.1021/ja0455594","","","0.71073","MoKα","","0.0623","0.0324","","","0.0625","0.068","","","","","","0.925","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113078","17.1829","0.0015","13.0958","0.0011","27.663","0.002","90","","90","","90","","6224.8","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Mo O4 P -","- C32 H39 Mo O4 P -","- C256 H312 Mo8 O32 P8 -","8","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.1836","0.0651","","","0.1084","0.1428","","","","","","0.944","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113085","11.6076","0.0005","17.6809","0.0007","27.2021","0.0011","90","","90","","90","","5582.8","0.4","143","1","143","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H20 Cl3 N3 O3 Ru -","- C31 H20 Cl3 N3 O3 Ru -","- C248 H160 Cl24 N24 O24 Ru8 -","8","1","","Howard Bregman; Douglas S. Williams; G. Ekin Atilla; Patrick J. Carroll; Eric Meggers","An Organometallic Inhibitor for Glycogen Synthase Kinase 3","Journal of the American Chemical Society","2004","126","","13594","13595","10.1021/ja046049c","","","0.71069","MoKα","","0.0508","0.0461","","","0.1225","0.1278","","","","","","1.042","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113100","14.774","0.004","15.521","0.005","27.909","0.008","90","","90","","90","","6400","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 Cl2 Fe O4 Si4 -","- C22 H42 Cl2 Fe O4 Si4 -","- C176 H336 Cl16 Fe8 O32 Si32 -","8","1","","Hisako Hashimoto; Katsunori Suzuki; Wataru Setaka; Chizuko Kabuto; Mitsuo Kira","Iron Complexes of (E)- and (Z)-1,2-Dichlorodisilenes","Journal of the American Chemical Society","2004","126","","13628","13629","10.1021/ja048100i","","","0.7107","MoKα","","0.1744","0.1494","","","0.3007","0.3165","","","","","","1.178","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113168","17.4197","0.0004","14.6308","0.0003","32.8142","0.0003","90","","90","","90","","8363.2","0.3","163.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H39 P2 Re -","- C18 H39 P2 Re -","- C288 H624 P32 Re16 -","16","2","","Jennifer R. Krumper; Richard L. Martin; P. Jeffrey Hay; Cathleen M. Yung; John Veltheer; Robert G. Bergman","Synthesis and Reactivity of the Hydrido- and Alkylrhenium Methylidene Complexes Cp*(PMe3)2(R)ReCH2 (R = H, CH3)","Journal of the American Chemical Society","2004","126","","14804","14815","10.1021/ja0468877","","","0.7107","MoKα","","","0.0326","","","","0.0394","","","","","","1.559","","","","has coordinates","295474","2024-10-14","09:36:04",""
"4113174","15.2398","0.0003","11.5499","0.0002","20.1497","0.0004","90","","90","","90","","3546.71","0.12","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c a","-P 2ac 2ab","61","IBiox5.HOTf","Dispiro(cyclopentane-1,3'-(1,3)oxazolo(3',2':3,4)imidazolo(5,1-b)(1,3) oxazole-7',1""-cyclopentane) trifluoromethylsulfonate","","- C16 H21 F3 N2 O5 S -","- C16 H21 F3 N2 O5 S -","- C128 H168 F24 N16 O40 S8 -","8","1","","Gereon Altenhoff; Richard Goddard; Christian W. Lehmann; Frank Glorius","Sterically Demanding, Bioxazoline-Derived N-Heterocyclic Carbene Ligands with Restricted Flexibility for Catalysis","Journal of the American Chemical Society","2004","126","","15195","15201","10.1021/ja045349r","","","0.71073","MoKα","","0.0879","0.0591","","","0.1162","0.127","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113183","18.6063","0.0006","23.7325","0.0008","18.6074","0.0006","90","","90","","90","","8216.5","0.5","112","2","112","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 Br4 S6 Si4 -","- C28 H36 Br4 S6 Si4 -","- C224 H288 Br32 S48 Si32 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.039","0.0303","","","0.0676","0.0716","","","","","","1.031","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113185","12.471","0.003","13.846","0.003","31.152","0.007","90","","90","","90","","5379","2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Br2 S7 Si2 -","- C22 H18 Br2 S7 Si2 -","- C176 H144 Br16 S56 Si16 -","8","1","","Andrzej Rajca; Makoto Miyasaka; Maren Pink; Hua Wang; Suchada Rajca","Helically Annelated and Cross-Conjugated Oligothiophenes: Asymmetric Synthesis, Resolution, and Characterization of a Carbon-Sulfur [7]Helicene","Journal of the American Chemical Society","2004","126","","15211","15222","10.1021/ja0462530","","","0.71073","MoKα","","0.082","0.0678","","","0.1379","0.1421","","","","","","1.31","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4113318","9.2545","0.0007","18.09","0.002","23.917","0.002","90","","90","","90","","4004","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C176 H112 N16 S32 -","16","2","","Christopher A. Thomas; Kyukwan Zong; Khalil A. Abboud; Peter J. Steel; John R. Reynolds","Donor-Mediated Band Gap Reduction in a Homologous Series of Conjugated Polymers","Journal of the American Chemical Society","2004","126","","16440","16450","10.1021/ja048637w","","","0.71073","MoKα","","0.1026","0.056","","","0.1262","0.1531","","","","","","1.014","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113387","20.2596","0.0006","17.7356","0.0006","33.4617","0.0011","90","","90","","90","","12023.3","0.7","98","2","98","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C71 H69 B Fe P4 -","- C71 H69 B Fe P4 -","- C568 H552 B8 Fe8 P32 -","8","1","","Steven D. Brown; Theodore A. Betley; Jonas C. Peters","A Low-Spin d5 Iron Imide: Nitrene Capture by Low-Coordinate Iron(I) Provides the 4-Coordinate Fe(III) Complex [PhB(CH2PPh2)3]Fe\τbN-p-tolyl","Journal of the American Chemical Society","2003","125","","322","323","10.1021/ja028448i","","","0.71073","MoKα","","0.1078","0.0713","","","0.117","0.119","","","","","","3.208","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113393","16.331","0.003","17.298","0.004","17.968","0.004","90","","90","","90","","5075.8","1.9","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(cyclopentadienyl)(2,6-diisopropylphenylimido)(trimethylphosphine) (dimethylchlorosilyl)(hydrido) tantalum (V)","","- C21 H35 Cl2 N P Si Ta -","- C18.44 H28.77 Cl1.431 N0.9 P0.83 Si0.81 Ta0.84 -","- C147.52 H230.16 Cl11.448 N7.2 P6.64 Si6.48 Ta6.72 -","8","1","","Stuart R. Dubberley; Stanislav K. Ignatov; Nicholas H. Rees; Alexei G. Razuvaev; Philip Mountford; Georgii I. Nikonov","Are J(Si-H) NMR Coupling Constants Really a Probe for the Existence of Nonclassical H-Si Interactions?","Journal of the American Chemical Society","2003","125","","642","643","10.1021/ja027935v","","","0.71073","MoKα","","0.0441","0.0349","","","0.0955","0.1008","","","","","","0.998","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113403","17.3933","0.0014","36.592","0.003","46.151","0.004","90","","90","","90","","29373","4","150","1","150","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C86 H150 Cd11 N10 O5 Se19 Zn5 -","- C86 Cd11 N10 O5 Se19 Zn5 -","- C688 Cd88 N80 O40 Se152 Zn40 -","8","1","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Zinc Chalcogenolate Complexes as Capping Agents in the Synthesis of Ternary II-II'-VI Nanoclusters: Structure and Photophysical Properties of [(N,N'-tmeda)5Zn5Cd11Se13(SePh)6(thf)2]","Journal of the American Chemical Society","2003","125","","864","865","10.1021/ja028800s","","","0.71073","MoKα","","0.1625","0.0927","","","0.2018","0.2183","","","","","","1.176","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113409","19.0283","0.001","18.9544","0.001","21.4819","0.0011","90","","90","","90","","7747.9","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H34 Br4 Os P2 -","- C42 H34 Br4 Os P2 -","- C336 H272 Br32 Os8 P16 -","8","1","","Ting Bin Wen; Sze Ming Ng; Wai Yiu Hung; Zhong Yuan Zhou; Man Fung Lo; Lai-Yung Shek; Ian D. Williams; Zhenyang Lin; Guochen Jia","Protonation and Bromination of an Osmabenzyne: Reactions Leading to the Formation of New Metallabenzynes","Journal of the American Chemical Society","2003","125","","884","885","10.1021/ja029110r","","","0.71073","MoKα","","0.0395","0.0276","","","0.0569","0.0601","","","","","","1.037","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113471","17.1043","0.0005","19.7079","0.0006","22.3659","0.0008","90","","90","","90","","7539.3","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 B F20 N Pb -","- C36 H22 B F20 N Pb -","- C288 H176 B8 F160 N8 Pb8 -","8","1","","Thomas Müller; Christian Bauch; Markus Ostermeier; Michael Bolte; Norbert Auner","Norbornyl Cations of Group 14 Elements","Journal of the American Chemical Society","2003","125","","2158","2168","10.1021/ja021234g","","","0.71073","MoKα","","0.0592","0.0353","","","0.078","0.0844","","","","","","1.021","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113551","8.483","0.001","12.444","0.002","51.98","0.01","90","","90","","90","","5487.1","1.5","294","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 S6 -","- C30 H20 N2 S6 -","- C240 H160 N16 S48 -","8","1","","Bruno Jousselme; Philippe Blanchard; Nuria Gallego-Planas; Jacques Delaunay; Magali Allain; Pascal Richomme; Eric Levillain; Jean Roncali","Photomechanical Actuation and Manipulation of the Electronic Properties of Linear π-Conjugated Systems","Journal of the American Chemical Society","2003","125","","2888","2889","10.1021/ja029754z","","","0.71073","Mo-Kα","","0.173","0.045","","0.18","","0.065","","","3.076","","","1.213","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113580","9.291","0.006","10.469","0.007","13.489","0.008","90","","90","","90","","1312","1.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H9 N O4 -","- C5 H9 N O4 -","- C40 H72 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.0996","0.0614","","","0.1286","0.1421","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113581","8.412","0.002","9.589","0.002","28.063","0.007","90","","90","","90","","2263.6","0.9","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C80 H152 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1039","0.0514","","","0.1006","0.1152","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113582","8.3774","0.0017","9.7376","0.0019","41.525","0.008","90","","90","","90","","3387.4","1.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H31 N O4 -","- C16 H31 N O4 -","- C128 H248 N8 O32 -","8","1","","Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson","The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems","Journal of the American Chemical Society","2003","125","","3631","3641","10.1021/ja021012i","","","0.71073","MoKα","","0.1307","0.0601","","","0.113","0.1299","","","","","","0.933","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113626","7.4603","0.0001","18.4567","0.0003","20.7189","0.0005","90","","90","","90","","2852.84","0.09","150","1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","1","","Mark Lautens; Wooseok Han; Jack Hung-Chang Liu","MgI2-Mediated Ring Expansions of Secondary Methylenecyclopropyl Amides","Journal of the American Chemical Society","2003","125","","4028","4029","10.1021/ja028967l","","","0.71073","MoKα","","0.0506","0.0376","","","0.0904","0.0983","","","","","","1.016","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113644","16.45","0.004","24.882","0.005","14.521","0.002","90","","90","","90","","5944","2","298.2","","298.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H12 Cl4 F10 N2 O2 Ti -","- C27 H12 Cl4 F10 N2 O2 Ti -","- C216 H96 Cl32 F80 N16 O16 Ti8 -","8","1","","Makoto Mitani; Rieko Furuyama; Jun-ichi Mohri; Junji Saito; Seiichi Ishii; Hiroshi Terao; Takashi Nakano; Hidetsugu Tanaka; Terunori Fujita","Syndiospecific Living Propylene Polymerization Catalyzed by Titanium Complexes Having Fluorine-Containing Phenoxy-Imine Chelate Ligands","Journal of the American Chemical Society","2003","125","","4293","4305","10.1021/ja029560j","","","0.7107","MoKα","","0.0483","0.0483","","","0.0649","0.0649","","","","","","1.885","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113662","21.039","0.004","9.6447","0.0019","43.486","0.009","90","","90","","90","","8824","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H62 Cl4 N14 P6 -","- C26 H62 Cl4 N14 P6 -","- C208 H496 Cl32 N112 P48 -","8","1","","Serap Beşli; Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Robert A. Shaw; Gönül Yenilmez Çiftçi; Serkan Yeşilot","Anomalous NMR Behavior of Meso Compounds with Remote Stereogenic Centers on Addition of Chiral Shift Reagent or Chiral Solvating Agent","Journal of the American Chemical Society","2003","125","","4943","4950","10.1021/ja028871r","","","0.71073","MoKα","","0.1789","0.0675","","","0.1191","0.1508","","","","","","0.949","","","","has coordinates,has disorder","178907","2020-10-21","18:00:00",""
"4113716","9.4259","0.0006","17.4816","0.0009","30.462","0.002","90","","90","","90","","5019.5","0.5","273.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H22 F6 Mn N4 O6 S2 -","- C18 H22 F6 Mn N4 O6 S2 -","- C144 H176 F48 Mn8 N32 O48 S16 -","8","1","","Andrew Murphy; Geraud Dubois; T. D. P. Stack","Efficient Epoxidation of Electron-Deficient Olefins with a Cationic Manganese Complex","Journal of the American Chemical Society","2003","125","","5250","5251","10.1021/ja029962r","","","0.7107","MoKα","","","0.036","","","","0.095","","","","","","0.686","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113742","15.693","0.002","20.271","0.003","24.076","0.003","90","","90","","90","","7658.9","1.8","213","2","213","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C45 H45 Cs O9 -","- C45 H41 Cs O9 -","- C360 H328 Cs8 O72 -","8","1","","Tracy A. Hanna; Lihua Liu; Alfredo M. Angeles-Boza; Xiaodi Kou; C. David Gutsche; Krzysztof Ejsmont; William H. Watson; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold","Synthesis, Structures, and Conformational Characteristics of Calixarene Monoanions and Dianions","Journal of the American Chemical Society","2003","125","","6228","6238","10.1021/ja0289797","","","0.71073","MoKα","","0.1982","0.1039","","","0.229","0.2912","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113795","7.179","0.001","6.946","0.001","18.913","0.004","90","","90","","90","","943.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H5 N Te Zn -","- C H5 N Te Zn -","- C8 H40 N8 Te8 Zn8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","","","0.71073","MoKα","","0.0585","0.0447","","","0.1141","0.1221","","","","","","1.07","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113796","7.09494","0.00033","6.79535","0.00032","16.7212","0.0008","90","","90","","90","","806.17","0.07","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Cd N Se -","- C H4 Cd N Se -","- C8 H32 Cd8 N8 Se8 -","8","1","","Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas","From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties","Journal of the American Chemical Society","2003","125","","7049","7055","10.1021/ja0343611","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.09648","","0.94","","","","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113819","17.5088","0.0013","17.0833","0.0012","40.472","0.003","90","","90","","90","","12105.5","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H18 F9 Ir N6 -","- C30 H18 F9 Ir N6 -","- C480 H288 F144 Ir16 N96 -","16","2","","Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson","Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes","Journal of the American Chemical Society","2003","125","","7377","7387","10.1021/ja034537z","","","0.71073","MoKα","","0.0731","0.0495","","","0.1143","0.1269","","","","","","1.037","","","","has coordinates,has disorder","178909","2020-10-21","18:00:00",""
"4113824","10.4024","0.0012","17.796","0.002","31.256","0.004","90","","90","","90","","5786.1","1.2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5-phenyl-1,2:3,4-bis(bicyclo[2.2.2]octeno)cyclopentadienyllithium-(THF)3","","","- C35 H49 Li O3 -","- C35 H49 Li O3 -","- C280 H392 Li8 O24 -","8","1","","Tohru Nishinaga; Daisuke Yamazaki; Helmut Stahr; Atsushi Wakamiya; Koichi Komatsu","Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-Lithium, -Sodium, and -Potassium Annelated with Bicyclo[2.2.2]octene Units: A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran","Journal of the American Chemical Society","2003","125","","7324","7335","10.1021/ja0346431","","","0.71073","MoKα","","0.1034","0.0754","","","0.2012","0.2161","","","","","","1.053","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113845","34.5808","0.0003","18.2206","0.0001","14.4798","0.0001","90","","90","","90","","9123.47","0.11","273.2","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H47 Cl3 P2 Ru S3 W -","- C47 H45 Cl3 P2 Ru S3 W -","- C376 H360 Cl24 P16 Ru8 S24 W8 -","8","1","","Yasuhiro Ohki; Nobuo Matsuura; Tadashi Marumoto; Hiroyuki Kawaguchi; Kazuyuki Tatsumi","Heterolytic Cleavage of Dihydrogen Promoted by Sulfido-Bridged Tungsten-Ruthenium Dinuclear Complexes","Journal of the American Chemical Society","2003","125","","7978","7988","10.1021/ja029941x","","","0.7107","MoKα","","","0.0268","","","","0.052","","","","","","1.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113990","8.622","0.0003","13.806","0.0005","24.82","0.0011","90","","90","","90","","2954.5","0.2","153","","","","","","","","","","Local laboratory","4","P b c a","-P 2ac 2ab","61","","","","- C12 H22 O3 S3 -","- C12 H22 O3 S3 -","- C96 H176 O24 S24 -","8","1","","Sanae Tanaka; Yoshiaki Sugihara; Akira Sakamoto; Akihiko Ishii; Juzo Nakayama","The Thiosulfinyl Group Serves as a Stereogenic Center and Shows Diamagnetic Anisotropy Similar to That of the Sulfinyl Group","Journal of the American Chemical Society","2003","125","","9024","9025","10.1021/ja035892s","","","0.71073","MoKα","","0.0591","0.046","","","0.1228","0.1284","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114052","12.8356","0.0002","13.5677","0.0002","40.1694","0.0007","90","","90","","90","","6995.48","0.19","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","kfs02","","","- C31 H40 Br3 N6 O -","- C31 H40 Br3 N6 O -","- C248 H320 Br24 N48 O8 -","8","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.122","0.0622","","","0.1435","0.1682","","","","","","1.03","","","","has coordinates,has disorder","178911","2020-10-21","18:00:00",""
"4114088","24.934","0.006","18.83","0.004","26.82","0.006","90","","90","","90","","12592","5","294","2","294","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H96 Ag F3 N2 O4 P4 Pt S -","- C54 H91 Ag F3 N2 O4 P4 Pt S -","- C432 H728 Ag8 F24 N16 O32 P32 Pt8 S8 -","8","1","","Bao-Hui Xia; Hong-Xing Zhang; Chi-Ming Che; King-Hung Leung; David Lee Phillips; Nianyong Zhu; Zhong-Yuan Zhou","Metal-Metal Interactions in Heterobimetallic d8-d10 Complexes. Structures and Spectroscopic Investigation of [M'M''(μ-dcpm)2(CN)2]+ (M' = Pt, Pd; M'' = Cu, Ag, Au) and Related Complexes by UV-vis Absorption and Resonance Raman Spectroscopy and ab Initio Calculations","Journal of the American Chemical Society","2003","125","","10362","10374","10.1021/ja0355325","","","0.71073","MoKα","","0.243","0.0612","","","0.1131","0.1416","","","","","","0.953","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114161","26.8378","0.0015","7.2109","0.0004","34.9225","0.0018","90","","90","","90","","6758.4","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H24 Br2 N4 Ni -","- C48 H24 Br2 N4 Ni -","- C384 H192 Br16 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.1584","0.0539","","","0.0778","0.0953","","","","","","0.792","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114220","8.5919","0.0006","15.7208","0.0011","27.2838","0.0019","90","","90","","90","","3685.3","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Mn N12 -","- C14 H17 Mn N12 -","- C112 H136 Mn8 N96 -","8","1","","Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia","A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes","Journal of the American Chemical Society","2003","125","","12337","12344","10.1021/ja034652+","","","0.71073","MoKα","","0.0603","0.0303","","","0.0645","0.0691","","","","","","0.897","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114227","16.559","0.002","7.331","0.0009","38.161","0.005","90","","90","","90","","4632.5","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl O Ru -","- C56 H58 Cl2 O2 Ru2 -","- C224 H232 Cl8 O8 Ru8 -","4","0.5","","Yoshihiko Yamamoto; Takayasu Arakawa; Ryuji Ogawa; Kenji Itoh","Ruthenium(II)-Catalyzed Selective Intramolecular [2 + 2 + 2] Alkyne Cyclotrimerizations","Journal of the American Chemical Society","2003","125","","12143","12160","10.1021/ja0358697","","","0.71073","MoKα","","0.0464","0.0437","","","0.1118","0.1179","","","","","","1.207","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114304","16.4042","0.0013","9.1502","0.0011","21.1802","0.0015","90","","90","","90","","3179.2","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H13 Cl2 N O2 S -","- C15 H13 Cl2 N O2 S -","- C120 H104 Cl16 N8 O16 S8 -","8","1","","Subramanian Karur; S. R. S. Saibabu Kotti; Xin Xu; John F. Cannon; Allan Headley; Guigen Li","A Catalytic Reaction of Alkynes via Multiple-Site Functionalization","Journal of the American Chemical Society","2003","125","","13340","13341","10.1021/ja0304188","","","0.71073","MoKα","","0.0939","0.0511","","","0.1132","0.133","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114311","11.4848","0.0007","16.6537","0.0009","18.2556","0.0011","90","","90","","90","","3491.6","0.4","300","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H52 Cu2 N6 O14 P2 -","- C24 H40 Cu2 N6 O14 P2 -","- C96 H160 Cu8 N24 O56 P8 -","4","0.5","","Julia E. Barker; Yu Liu; Nicole D. Martin; Tong Ren","Dicopper-[18]ane-N6 Complex as the Platform for Phosphate Monoester Binding","Journal of the American Chemical Society","2003","125","","13332","13333","10.1021/ja036407w","","","0.71073","MoKα","","0.0929","0.05","","","0.1228","0.1344","","","","","","1.03","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114365","17.5719","0.0016","8.3749","0.0007","23.26","0.002","90","","90","","90","","3423","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 I O4 -","- C16 H17 I O4 -","- C128 H136 I8 O32 -","8","1","","Shengming Ma; Junliang Zhang; Yangjun Cai; Lianghua Lu","An X-(X = I, Br)-Triggered Ring-Opening Coupling Reaction of Cyclopropenes with Organic Halides","Journal of the American Chemical Society","2003","125","","13954","13955","10.1021/ja038131y","","","0.71073","MoKα","","0.0724","0.0422","","","0.1055","0.1162","","","","","","0.916","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114380","18.482","0.006","27.662","0.008","10.744","0.005","90","","90","","90","","5493","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 Cl5 Ga P2 -","- C24 H20 Cl5 Ga P2 -","- C192 H160 Cl40 Ga8 P16 -","8","1","","Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson","Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation","Journal of the American Chemical Society","2003","125","","14404","14410","10.1021/ja036649w","","","1.5418","CuKα","","0.2658","0.0512","","0.2082","0.1329","","","","0.971","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114435","12.6104","0.0014","16.2906","0.0019","17.927","0.002","90","","90","","90","","3682.8","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H26 O5 S -","- C20 H26 O5 S -","- C160 H208 O40 S8 -","8","1","","Fredrik P. Marmsäter; Graham K. Murphy; F. G. West","Cyclooctanoid Ring Systems from Mixed Acetals via Heteroatom-Assisted [1,2]-Shift of Oxonium Ylides","Journal of the American Chemical Society","2003","125","","14724","14725","10.1021/ja0387249","","","0.71073","MoKα","","0.067","0.0481","","","0.1064","0.1143","","","","","","1.057","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114447","9.3938","0.0005","18.939","0.001","21.924","0.001","90","","90","","90","","3900.5","0.3","100","1","100","1","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","","","","- C28 H24 -","- C28 H24 -","- C224 H192 -","8","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Increased Speed of Rotation for the Smallest Light-Driven Molecular Motor","Journal of the American Chemical Society","2003","125","","15076","15086","10.1021/ja036782o","","","0.71073","MoKα","","0.0504","0.0446","","","0.1123","0.1175","","","","","","1.029","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114449","14.2207","0.0007","15.9939","0.0007","19.5926","0.0009","90","","90","","90","","4456.2","0.4","173.2","","173.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H35 N O W -","- C24 H35 N O W -","- C192 H280 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.7107","MoKα","","0.0632","0.031","","0.0815","","0.038","","","0.801","","","0.801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114452","14.8888","0.001","14.7065","0.0009","17.8503","0.0013","90","","90","","90","","3908.5","0.5","293","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H33 N O W -","- C21 H33 N O W -","- C168 H264 N8 O8 W8 -","8","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0456","0.0331","","","0.0803","0.0825","","","","","","0.888","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114480","13.738","0.001","10.766","0.001","19.522","0.002","90","","90","","90","","2887.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N4 P4 -","- C28 H32 N4 P4 -","- C112 H128 N16 P16 -","4","0.5","","June-Ho Jung; Julia C. Pomeroy; Hongming Zhang; Patty Wisian-Neilson","Isolation and Characterization of Nongeminal Cyclic Methylphenylphosphazene Tetramers","Journal of the American Chemical Society","2003","125","","15537","15542","10.1021/ja0374168","","","0.71073","MoKα","","0.056","0.041","","","0.102","0.109","","","","","","1.03","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114492","12.087","0.005","19.74","0.009","23.655","0.01","90","","90","","90","","5644","4","158","2","158","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H34 N2 O2 -","- C33 H34 N2 O2 -","- C264 H272 N16 O16 -","8","1","","David A. Shultz; Rosario M. Fico; Hyoyoung Lee; Jeff W. Kampf; Kristin Kirschbaum; A. Alan Pinkerton; Paul D. Boyle","Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals: The Roles of Conformation and Spin Density","Journal of the American Chemical Society","2003","125","","15426","15432","10.1021/ja037787o","","","0.71073","MoKα","","0.101","0.0718","","","0.1737","0.1896","","","","","","0.966","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114522","12.5579","0.0001","15.6169","0.0002","12.6071","0.0001","90","","90","","90","","2472.45","0.04","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H16 B7 P -","- C8 H16 B7 P -","- C64 H128 B56 P8 -","8","1","","Daewon Hong; Scott E. Rathmill; Patrick J. Carroll; Larry G. Sneddon","Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and 6-R-arachno-6,5,7-PC2B7H11","Journal of the American Chemical Society","2003","125","","16058","16073","10.1021/ja037799+","","","0.71069","MoKα","","0.074","0.0685","","0.1548","0.1519","","","","1.316","1.333","1.333","","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114536","9.6905","0.0006","23.7816","0.0013","44.5","0.003","90","","90","","90","","10255.3","1.1","193","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","holjs77","","","- C47 H64 Fe N4 -","- C47 H64 Fe N4 -","- C376 H512 Fe8 N32 -","8","1","","Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","NN Bond Cleavage by a Low-Coordinate Iron(II) Hydride Complex","Journal of the American Chemical Society","2003","125","","15752","15753","10.1021/ja038152s","","","0.71073","MoKα","","0.0838","0.0497","","","0.1451","0.1541","","","","","","1.075","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114602","18.678","0.006","31.752","0.011","9.38","0.006","90","","90","","90","","5563","4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N3 O6 P -","- C28 H36 N3 O6 P -","- C224 H288 N24 O48 P8 -","8","1","","Akira Onoda; Yusuke Yamada; Taka-aki Okamura; Mototsugu Doi; Hitoshi Yamamoto; Norikazu Ueyama","Synthesis of Zigzag-Chain and Cyclic-Octanuclear Calcium Complexes and Hexanuclear Bulky Aryl-Phosphate Sodium Complexes with Ortho-Amide Groups: Structural Transformation Involving a Network of Inter- and Intramolecular Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","1052","1059","10.1021/ja011457r","","","0.71069","MoKα","","0.3211","0.0533","","","0.1633","0.2483","","","","","","0.929","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114648","7.7991","0.0003","7.3372","0.0003","19.2695","0.0008","90","","90","","90","","1102.67","0.08","193","2","193","2","","","","","","","original synthesis","4","P b c a","-P 2ac 2ab","61","","","","- I K Mo O6 -","- I K Mo O6 -","- I8 K8 Mo8 O48 -","8","1","","Richard E. Sykora; Kang Min Ok; P. Shiv Halasyamani; Thomas E. Albrecht-Schmitt","Structural Modulation of Molybdenyl Iodate Architectures by Alkali Metal Cations in AMoO3(IO3) (A = K, Rb, Cs): A Facile Route to New Polar Materials with Large SHG Responses","Journal of the American Chemical Society","2002","124","","1951","1957","10.1021/ja012190z","","","0.71073","MoKα","","0.0222","0.0216","","0.0525","0.0521","","","","1.166","1.168","1.168","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114692","11.122","0.0018","12.576","0.002","25.593","0.004","90","","90","","90","","3579.7","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cl F6 N2 P Ru -","- C16 H20 Cl F6 N2 P Ru -","- C128 H160 Cl8 F48 N16 P8 Ru8 -","8","1","","Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler","Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts","Journal of the American Chemical Society","2002","124","","3064","3082","10.1021/ja017482e","","","0.71073","MoKα","","0.0516","0.0444","","","0.1021","0.1055","","","","","","1.038","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114700","9.498","0.001","22.5","0","23.48","0","90","","90","","90","","5017.8","0.5","273.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3a-Hydroxy-6-oxo-3-phenyl-1,3a,4,5,6,6a-hexahydropentalene -2-carboxylic acid amide","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C240 H240 N16 O48 -","16","2","","Paul A. Wender; Gabriel G. Gamber; Robert D. Hubbard; Lei Zhang","Three-Component Cycloadditions: The First Transition Metal-Catalyzed [5+2+1] Cycloaddition Reactions","Journal of the American Chemical Society","2002","124","","2876","2877","10.1021/ja0176301","","","0.7107","MoKα","","","0.038","","","","0.097","","","","","","0.624","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114746","18.1702","0.001","23.3832","0.0013","33.8378","0.0018","90","","90","","90","","14376.9","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H25 B Cu F20 N3 -","- C34 H25 B Cu F20 N3 -","- C544 H400 B16 Cu16 F320 N48 -","16","2","","Hong-Chang Liang; Christiana Xin Zhang; Mark J. Henson; Roger D. Sommer; Karen R. Hatwell; Susan Kaderli; Andreas D. Zuberbühler; Arnold L. Rheingold; Edward I. Solomon; Kenneth D. Karlin","Contrasting Copper-Dioxygen Chemistry Arising from Alike Tridentate Alkyltriamine Copper(I) Complexes","Journal of the American Chemical Society","2002","124","","4170","4171","10.1021/ja0125265","","","0.71073","MoKα","","0.1307","0.0808","","","0.1646","0.1898","","","","","","1.155","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114747","18.599","0.003","18.661","0.003","21.015","0.003","90","","90","","90","","7294","2","173","2","173","2","","","","","","","Laurie Breyfogle","6","P b c a","-P 2ac 2ab","61","01008","","","- C28 H51 Fe N4 O Si4 -","- C28 H51 Fe N4 O Si4 -","- C224 H408 Fe8 N32 O8 Si32 -","8","1","","Brendan J. O'Keefe; Laurie E. Breyfogle; Marc A. Hillmyer; William B. Tolman","Mechanistic Comparison of Cyclic Ester Polymerizations by Novel Iron(III)-Alkoxide Complexes: Single vs Multiple Site Catalysis","Journal of the American Chemical Society","2002","124","","4384","4393","10.1021/ja012689t","","","0.71073","MoKα","","0.1387","0.0717","","","0.1167","0.1344","","","","","","1.04","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114874","12.3788","0.0019","22.642","0.003","25.337","0.004","90","","90","","90","","7101.5","1.8","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","[Sn(THME)2]2 . (THF)solvent","","","- C12 H22 O6.5 Sn3 -","- C10 H18 O6 Sn3 -","- C160 H288 O96 Sn48 -","16","2","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0306","0.0205","","","0.0438","0.0466","","","","","","1.036","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114882","22.209","0.006","8.843","0.002","29.053","0.008","90","","90","","90","","5706","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(mMP)2","","","- C24 H32 O8 Sn4 -","- C24 H32 O8 Sn4 -","- C192 H256 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0477","0.0316","","","0.0666","0.0706","","","","","","0.983","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114883","20.967","0.004","8.9897","0.0015","29.726","0.005","90","","90","","90","","5603","1.7","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(OMP)2","","","- C24 H32 O8 Sn4 -","- C24 H32 O8 Sn4 -","- C192 H256 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0576","0.0356","","","0.0653","0.0699","","","","","","1.028","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114885","16.066","0.004","17.328","0.004","28.081","0.006","90","","90","","90","","7818","3","168","2","168","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sn4(THME)2(DIP)2","","","- C34 H52 O8 Sn4 -","- C34 H52 O8 Sn4 -","- C272 H416 O64 Sn32 -","8","1","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0909","0.0384","","","0.0593","0.0683","","","","","","0.825","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114899","9.5057","0.0001","12.8371","0.0002","20.9018","0.0003","90","","90","","90","","2550.56","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H24 B9 N -","- C4 H24 B9 N -","- C32 H192 B72 N8 -","8","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0451","0.0387","","","0.1059","0.1124","","","","","","1.063","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114925","16.5688","0.0013","13.229","0.0018","17.8632","0.0017","90","","90","","90","","3915.4","0.7","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H16 Al B11 Cl6 -","- C5 H16 Al B11 Cl6 -","- C40 H128 Al8 B88 Cl48 -","8","1","","Kee-Chan Kim; Christopher A. Reed; Gregory S. Long; Ayusman Sen","Et2Al+ Alumenium Ion-like Chemistry. Synthesis and Reactivity toward Alkenes and Alkene Oxides","Journal of the American Chemical Society","2002","124","","7662","7663","10.1021/ja0259990","","","0.71073","MoKα","","0.0432","0.0333","","","0.0906","0.097","","","","","","1.012","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114939","25.566","0.008","11.361","0.003","9.734","0.002","89.99","0.02","89.95","0.02","90.01","0.02","2827.3","1.3","298.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F O -","- C21.7143 H14.8571 F1.14286 O1.14286 -","- C152 H104 F8 O8 -","7","0.875","","Yoshiaki Nishibayashi; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition of Propargylic Alcohols with Phenol Derivatives via Allenylidene Intermediates: Catalytic Use of the Allenylidene Ligand as the C3 Unit","Journal of the American Chemical Society","2002","124","","7900","7901","10.1021/ja026168x","","","0.7107","MoKα","","","0.043","","","","0.031","","","","","","2.336","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114962","9.908","0.004","10.763","0.004","38.02","0.02","90","","90","","90","","4054","3","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31.6 I N2 O1.3 -","- C21 I N2 O1.3 -","- C168 I8 N16 O10.4 -","8","1","","John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin","Enantioselective Total Syntheses of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2002","124","","8584","8592","10.1021/ja0202964","","","0.71073","MoKα","","","0.0486","","","0.0513","","","","","","","1.428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115025","15.2478","0.0007","22.2907","0.001","29.1393","0.0014","90","","90","","90","","9904","0.8","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","((dippe)Ni(h2-1,4-dicyanobenzene)","","","- C22 H36 N2 Ni P2 -","- C22 H36 N2 Ni P2 -","- C352 H576 N32 Ni16 P32 -","16","2","","Juventino J. Garcia; Nicole M. Brunkan; William D. Jones","Cleavage of Carbon-Carbon Bonds in Aromatic Nitriles Using Nickel(0)","Journal of the American Chemical Society","2002","124","","9547","9555","10.1021/ja0204933","","","0.71073","MoKα","","0.1438","0.0705","","","0.1708","0.2097","","","","","","0.847","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115033","15.2945","0.0004","14.244","0.0004","20.5478","0.0005","90","","90","","90","","4476.4","0.2","183.2","","183.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 I P Pd -","- C20 I P Pd -","- C160 I8 P8 Pd8 -","8","1","","James P. Stambuli; Michael Bühl; John F. Hartwig","Synthesis, Characterization, and Reactivity of Monomeric, Arylpalladium Halide Complexes with a Hindered Phosphine as the Only Dative Ligand","Journal of the American Chemical Society","2002","124","","9346","9347","10.1021/ja0264394","","","0.7107","MoKα","","","0.0256","","","","0.0273","","","","","","1.264","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115057","16.58","0.02","23.234","0.006","8.733","0.002","90","","90","","90","","3364","4","123.2","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H28 -","- C24 H28 -","- C192 H224 -","8","1","","Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu","An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1","Journal of the American Chemical Society","2002","124","","10136","10145","10.1021/ja012363k","","","0.7107","MoKα","","","0.0463","","","","0.0743","","","","","","1.465","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115112","8.8737","0.0005","17.6413","0.0009","33.5339","0.0018","90","","90","","90","","5249.5","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H43 B3 O2 Ru2 -","- C24 H43 B3 O2 Ru2 -","- C192 H344 B24 O16 Ru16 -","8","1","","Hong Yan; Alicia M. Beatty; Thomas P. Fehlner","Facile Hydrometalation of Alkynes by nido-1,2-(Cp*RuH)2B3H7 Yielding Novel Ru-B Edge-Bridging Alkylidenes. Stepwise Conversion of HC\τbCC(O)OMe into nido-1,2-(Cp*RuH)2-3-HOB-4-MeC-5-MeOC-BH3, Cp* = η5-C5Me5","Journal of the American Chemical Society","2002","124","","10280","10281","10.1021/ja026738t","","","0.71073","MoKα","","0.0311","0.0304","","","0.0751","0.0756","","","","","","1.103","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115146","20.048","0.004","13.737","0.003","20.285","0.004","90","","90","","90","","5586","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 N O P2 Re -","- C28 H28 Cl2 N O P2 Re -","- C224 H224 Cl16 N8 O8 P16 Re8 -","8","1","","Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini","Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules","Journal of the American Chemical Society","2002","124","","11468","11479","10.1021/ja0200239","","","0.71073","MoKα","","0.0932","0.0636","","","0.1611","0.1877","","","","","","1.008","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115159","12.019","0.003","11.515","0.003","26.124","0.004","90","","90","","90","","3615.5","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-phtaloyl-cis-1-aminocyclohexane-4-carboxylate tert-butyl perester","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Sabrina Antonello; Marco Crisma; Fernando Formaggio; Alessandro Moretto; Ferdinando Taddei; Claudio Toniolo; Flavio Maran","Insights into the Free-Energy Dependence of Intramolecular Dissociative Electron Transfers","Journal of the American Chemical Society","2002","124","","11503","11513","10.1021/ja0263644","","","1.54178","CuKα","","0.047","0.0429","","","0.1295","0.1329","","","","","","1.109","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115266","12.701","0.009","9.569","0.007","38.07","0.03","90","","90","","90","","4627","6","203","2","203","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","Phenyl-bis(tBu)dihydrodimethylpyrene","","","- C30 H34 -","- C30 H34 -","- C240 H272 -","8","1","","Richard Vaughan Williams; John R. Armantrout; Brendan Twamley; Reginald H. Mitchell; Timothy R. Ward; Subhajit Bandyopadhyay","A Theoretical and Experimental Scale of Aromaticity. The First Nucleus-Independent Chemical Shifts (NICS) Study of the Dimethyldihydropyrene Nucleus","Journal of the American Chemical Society","2002","124","","13495","13505","10.1021/ja020595t","","","0.71073","MoKα","","0.134","0.0629","","","0.1383","0.1657","","","","","","1.023","","","","has coordinates","178923","2020-10-21","18:00:00",""
"4115286","21.651","0.003","16.699","0.002","30.468","0.002","90","","90","","90","","11016","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C122 H76 Cl8 N6 O22 Pd S4 -","- C122 H76 Cl8 N6 O22 Pd S4 -","- C488 H304 Cl32 N24 O88 Pd4 S16 -","4","0.5","","Howard M. Colquhoun; David J. Williams; Zhixue Zhu","Macrocyclic Aromatic Ether-Imide-Sulfones: Versatile Supramolecular Receptors with Extreme Thermochemical and Oxidative Stability","Journal of the American Chemical Society","2002","124","","13346","13347","10.1021/ja027851m","","","1.54178","CuKα","","0.2447","0.0998","","0.283","0.1953","","","","1.081","1.347","1.347","","","","","has coordinates,has disorder","178923","2020-10-21","18:00:00",""
"4115311","9.631","0.0004","18.905","0.0007","25.17","0.0011","90","","90","","90","","4582.8","0.3","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O8 -","- C22 H27 N3 O8 -","- C176 H216 N24 O64 -","8","1","","Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner","The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly","Journal of the American Chemical Society","2002","124","","13686","13687","10.1021/ja026949y","","","0.71073","MoKα","","0.107","0.0612","","","0.0887","0.0999","","","","","","1.062","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115361","18.663","0.003","19.047","0.003","16.774","0.003","90","","90","","90","","5962.7","1.7","301.2","","301.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H42 Au P -","- C34 H42 Au P -","- C272 H336 Au8 P8 -","8","1","","Hsiu-Yi Chao; Wei Lu; Yanqin Li; Michael C. W. Chan; Chi-Ming Che; Kung-Kai Cheung; Nianyong Zhu","Organic Triplet Emissions of Arylacetylide Moieties Harnessed through Coordination to [Au(PCy3)]+. Effect of Molecular Structure upon Photoluminescent Properties","Journal of the American Chemical Society","2002","124","","14696","14706","10.1021/ja0209417","","","0.7107","MoKalpha","","","0.0297","","","0.0399","","","","","1.63","1.63","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115477","25.129","0.004","25.477","0.004","18.786","0.003","90","","90","","90","","12027","3","294.2","","294.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C58 H71 O6 P Pd2 Ru2 S4 Ti2 -","- C464 H568 O48 P8 Pd16 Ru16 S32 Ti16 -","8","1","","Shigeki Kuwata; Shin-ichiro Kabashima; Youichi Ishii; Masanobu Hidai","A Ti2Ru2Pd2 Oxo-Sulfido Cluster Synthesized by Linking Two Rationally Preorganized TiRuPdS2 Heterotrimetallic Units with an Oxo Ligand: Its Reaction with an Alkyne","Journal of the American Chemical Society","2001","123","","3826","3827","10.1021/ja0040666","","","0.7107","MoKα","","0.0476","0.0476","","","0.0479","0.0479","","","","","","1.464","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115489","16.633","0.002","14.7594","0.0014","23.571","0.002","90","","90","","90","","5786.5","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","cis-Dimethyl(bis(dicyclohexylphosphino)methane)palladium(II)","","- C27 H52 P2 Pd -","- C27 H52 P2 Pd -","- C216 H416 P16 Pd8 -","8","1","","Steven M. Reid; Joel T. Mague; Mark J. Fink","Facile Reductive Elimination of Ethane from Strained Dimethylpalladium(II) Complexes","Journal of the American Chemical Society","2001","123","","4081","4082","10.1021/ja0056062","","","0.71073","MoKα","","0.1015","0.039","","","0.1004","0.1202","","","","","","1.019","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115501","13.4285","0.0009","12.5989","0.0009","17.785","0.0012","90","","90","","90","","3008.9","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, p-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0498","0.0344","","","0.0971","0.1031","","","","","","1.057","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115502","13.1459","0.0008","12.4292","0.0008","18.8824","0.0012","90","","90","","90","","3085.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, o-xylene clathrate","","","- C12 H18 N3 O3 S -","- C12 H18 N3 O3 S -","- C96 H144 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0608","0.0424","","","0.1201","0.1276","","","","","","1.081","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115503","13.36","0.001","12.6471","0.001","18.1682","0.0014","90","","90","","90","","3069.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-1,4-benzenedisulfonate, naphthalene clathrate","","","- C14 H16 N3 O3 S -","- C14 H16 N3 O3 S -","- C112 H128 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.055","0.0326","","","0.0795","0.0851","","","","","","1.026","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115507","13.3756","0.0003","12.4586","0.0003","22.304","0.0005","90","","90","","90","","3716.77","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, 1-methylnaphthalene clathrate","","","- C17 H19 N3 O3 S -","- C17 H19 N3 O3 S -","- C136 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0758","0.0568","","","0.1569","0.1709","","","","","","1.047","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115508","13.4471","0.0004","12.1155","0.0004","23.9856","0.0007","90","","90","","90","","3907.7","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-2,6-naphthalenedisulfonate, pyrene clathrate","","","- C22 H19 N3 O3 S -","- C22 H19 N3 O3 S -","- C176 H152 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0545","0.0371","","","0.0869","0.0927","","","","","","1.019","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115509","13.6864","0.0007","12.4544","0.0007","26.4727","0.0014","90","","90","","90","","4512.4","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium)-4,4'-biphenyldisulfonate, perylene clathrate","","","- C54 H44 N6 O6 S2 -","- C54 H44 N6 O6 S2 -","- C216 H176 N24 O24 S8 -","4","0.5","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0773","0.0422","","","0.1054","0.1155","","","","","","1.021","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115514","13.7891","0.0012","12.3034","0.001","26.784","0.002","90","","90","","90","","4544","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(guanidinium) 2,6-anthracenedisulfonate, perylene clathrate","","","- C28 H22 N3 O3 S -","- C28 H22 N3 O3 S -","- C224 H176 N24 O24 S8 -","8","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.7107","MoKα","","0.0917","0.0439","","","0.0898","0.0998","","","","","","0.864","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115575","10.8358","0.0005","14.8072","0.0007","17.2021","0.0008","90","","90","","90","","2760","0.2","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 Cu O10 S4 -","- C18 H36 Cl2 Cu O10 S4 -","- C72 H144 Cl8 Cu4 O40 S16 -","4","0.5","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.0741","0.0559","","0.1779","0.1647","","","","1.064","1.131","1.131","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115577","13.0498","0.0007","16.9827","0.0008","23.5634","0.0011","90","","90","","90","","5222.1","0.4","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Cl2 Cu O8 S4 -","- C18 H32 Cl2 Cu O8 S4 -","- C144 H256 Cl16 Cu8 O64 S32 -","8","1","","Qiuyue Yu; Cynthia A. Salhi; Edna A. Ambundo; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Direct Evidence for a Geometrically Constrained ""Entatic State"" Effect on Copper(II/I) Electron-Transfer Kinetics As Manifested in Metastable Intermediates","Journal of the American Chemical Society","2001","123","","5720","5729","10.1021/ja002995r","","","0.71073","MoKα","","0.1488","0.096","","0.2979","0.273","","","","1.053","1.264","1.264","","","","","has coordinates,has disorder","178926","2020-10-21","18:00:00",""
"4115582","9.4344","0.0009","27.089","0.003","30.133","0.003","90","","90","","90","","7701","1.4","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38.6 H56.2 N4 O8.4 -","- C38.6 H56.2 N4 O8.4 -","- C308.8 H449.6 N32 O67.2 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.1753","0.0664","","","0.1268","0.1761","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115584","23.818","0.002","11.9742","0.0012","26.727","0.003","90","","90","","90","","7622.6","1.3","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H50 Cl N4 Na O6 -","- C38 H50 Cl N4 Na O6 -","- C304 H400 Cl8 N32 Na8 O48 -","8","1","","Joseph M. Mahoney; Alicia M. Beatty; Bradley D. Smith","Selective Recognition of an Alkali Halide Contact Ion-Pair","Journal of the American Chemical Society","2001","123","","5847","5848","10.1021/ja0156082","","","0.71073","MoKα","","0.0936","0.0498","","","0.1057","0.1456","","","","","","1.048","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115650","19.7106","0.0018","22.1508","0.0019","27.13","0.002","90","","90","","90","","11845.1","1.7","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H70 Cl16 N6 Si8 -","- C28 H70 Cl16 N6 Si8 -","- C224 H560 Cl128 N48 Si64 -","8","1","","Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier","Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1","Journal of the American Chemical Society","2001","123","","8117","8118","10.1021/ja002831a","","","0.71073","MoKα","","0.1329","0.0638","","","0.1579","0.1967","","","","","","1.045","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115665","9.8468","0.0005","14.0391","0.0007","16.0009","0.0008","90","","90","","90","","2211.97","0.19","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Dichloro-{2-[2-(ethenyloxy)ethyl]pyridine}palladium(II)","","- C9 H11 Cl2 N O Pd -","- C9 H11 Cl2 N O Pd -","- C72 H88 Cl16 N8 O8 Pd8 -","8","1","","Peter Nilsson; Mats Larhed; Anders Hallberg","Highly Regioselective, Sequential, and Multiple Palladium-Catalyzed Arylations of Vinyl Ethers Carrying a Coordinating Auxiliary: An Example of a Heck Triarylation Process","Journal of the American Chemical Society","2001","123","","8217","8225","10.1021/ja011019k","","","0.71073","MoKα","","0.027","0.0218","","","0.0506","0.0519","","","","","","0.987","","","","has coordinates,has disorder","178927","2020-10-21","18:00:00",""
"4115668","21.2081","0.0002","14.743","0.0002","29.3458","0.0006","90","","90","","90","","9175.6","0.2","153.2","","153.2","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H74 Cl Fe N4 O Si2 Ta -","- C42 H64 Cl Fe N4 Si2 Ta -","- C336 H512 Cl8 Fe8 N32 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.1067","0.0333","","0.0539","0.0372","","","","","0.875","0.875","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115670","17.1859","0.0003","19.2859","0.0003","24.3778","0.0004","90","","90","","90","","8079.9","0.2","166.2","","166.2","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Li N4 O Si2 Ta -","- C34 H60 Li N4 O Si2 Ta -","- C272 H480 Li8 N32 O8 Si16 Ta8 -","8","1","","Joseph A. R. Schmidt; John Arnold","Reactivity of a Tantalum-Lithium Alkylidene Supported by an Anionic Triazacyclononane Ligand","Journal of the American Chemical Society","2001","123","","8424","8425","10.1021/ja016143i","","","0.7107","MoKα","","0.0596","0.025","","0.0366","0.0283","","","","","0.79","0.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115721","23.793","0.002","9.8009","0.0008","28.039","0.003","90","","90","","90","","6538.5","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H44 Cl2 N2 Pt S2 -","- C29 H44 Cl2 N2 Pt S2 -","- C232 H352 Cl16 N16 Pt8 S16 -","8","1","","Diran Herebian; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Experimental Evidence for the Noninnocence of o-Aminothiophenolates: Coordination Chemistry of o-Iminothionebenzosemiquinonate(1-) π-Radicals with Ni(II), Pd(II), Pt(II)","Journal of the American Chemical Society","2001","123","","10012","10023","10.1021/ja011155p","","","0.71073","MoKα","","0.0753","0.0422","","0.0942","0.0819","","","","1.155","1.266","1.266","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115814","14.0518","0.0003","14.1426","0.0002","14.9534","0.0002","90","","90","","90","","2971.67","0.09","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71073","MoKα","","0.0945","0.0577","","","0.112","0.1278","","","","","","1.094","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115867","21.3905","0.0004","14.6381","0.0003","25.4813","0.0002","90","","90","","90","","7978.6","0.2","188","2","188","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Cu2(OH){(PhO)2PO2}(BPAN)](ClO4)2 (2).","","","- C36 H37 Cl2 Cu2 N6 O13 P -","- C36 H35 Cl2 Cu2 N6 O13 P -","- C288 H280 Cl16 Cu16 N48 O104 P8 -","8","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0828","0.0412","","","0.1114","0.1346","","","","","","0.859","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115897","16.873","0.003","20.048","0.003","31.706","0.006","90","","90","","90","","10725","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H81 Mo6 N3 O18 -","- C36 H81 Mo6 N3 O18 -","- C288 H648 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1542","0.0695","","0.095","0.0746","","","","1.193","1.29","1.29","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115899","18.432","0.007","20.58","0.009","31.379","0.012","90","","90","","90","","11903","8","293","2","236","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H89 Mo6 N3 O18 -","- C44 H89 Mo6 N3 O18 -","- C352 H712 Mo48 N24 O144 -","8","1","","Joseph B. Strong; Glenn P. A. Yap; Robert Ostrander; Louise M. Liable-Sands; Arnold L. Rheingold; René Thouvenot; Pierre Gouzerh; Eric A. Maatta","A New Class of Functionalized Polyoxometalates: Synthetic, Structural, Spectroscopic, and Electrochemical Studies of Organoimido Derivatives of [Mo6O19]2-","Journal of the American Chemical Society","2000","122","","639","649","10.1021/ja9927974","","","0.71073","MoKα","","0.1491","0.078","","0.128","0.1056","","","","1.386","1.7","1.7","","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115945","21.786","0.004","15.756","0.002","8.818","0.003","90","","90","","90","","3026.9","1.2","193.2","","193.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 O4 S2 -","- C16 H14 O4 S2 -","- C128 H112 O32 S16 -","8","1","","Osamu Niyomura; Shinzi Kato; Satoshi Inagaki","An Unusual Planar Diacyl Ditelluride (2-MeOC6H4COTe)2: The Origin of Its Planarity","Journal of the American Chemical Society","2000","122","","2132","2133","10.1021/ja993120j","","","0.7107","MoKα","","0.0492","0.0492","","","0.0506","0.0506","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115995","20.049","0.006","13.635","0.003","20.125","0.006","90","","90","","90","","5502","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl2 N O P2 Tc -","- C28 H28 Cl2 N O P2 Tc -","- C224 H224 Cl16 N8 O8 P16 Tc8 -","8","1","","Cristina Bolzati; Alessandra Boschi; Adriano Duatti; Sushumna Prakash; Licia Uccelli; Fiorenzo Refosco; Francesco Tisato; Giuliano Bandoli","Geometrically Controlled Selective Formation of Nitrido Technetium(V) Asymmetrical Heterocomplexes with Bidentate Ligands","Journal of the American Chemical Society","2000","122","","4510","4511","10.1021/ja993834u","","","0.71073","MoKα","","0.0774","0.0452","","0.1145","0.0976","","","","1.036","1.071","1.071","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115996","13.01","0.002","10.853","0.001","23.692","0.004","90","","90","","90","","3345.3","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 Fe N5 O5 -","- C10 H24 Cl2 Fe N5 O5 -","- C80 H192 Cl16 Fe8 N40 O40 -","8","1","","Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy","Journal of the American Chemical Society","2000","122","","4352","4365","10.1021/ja994161i","","","0.71073","MoKα","","0.079","0.0536","","0.1242","0.1127","","","","1.047","1.108","1.108","","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116020","10.6688","0.0002","15.2337","0.0003","42.5078","0.0006","90","","90","","90","","6908.6","0.2","213","2","213","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H49 F3 N3 O3 P S -","- C30 H49 F3 N3 O3 P S -","- C240 H392 F24 N24 O24 P8 S8 -","8","1","","Neil Burford; T. Stanley Cameron; Daren J. LeBlanc; Andrew D. Phillips; Thomas E. Concolino; Kin-Chung Lam; Arnold L. Rheingold","Iminophosphide Bonding Environments from Carbene Complexes of Iminophosphines","Journal of the American Chemical Society","2000","122","","5413","5414","10.1021/ja000432+","","","0.71073","MoKα","","0.136","0.0892","","","0.1502","0.1699","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116077","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116078","20.7008","0.0003","19.6161","0.0001","30.3179","0.0005","90","","90","","90","","12311.2","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H67 F3 Fe2 N6 O9 S -","- C61 H60 F3 Fe2 N6 O8.5 S -","- C488 H480 F24 Fe16 N48 O68 S8 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","0.71073","MoKα","","0.1087","0.0887","","0.2409","0.2261","","","","1.165","1.216","1.216","","","","","has coordinates,has disorder","178931","2020-10-21","18:00:00",""
"4116079","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Sonha C. Payne; Karl S. Hagen","Steric Control of Reactivity of Non-Heme μ-Hydroxo Diiron(II) Complexes with Oxygen: Isolation of a Strongly Coupled μ-Oxo Fe(II)Fe(III) Dimer","Journal of the American Chemical Society","2000","122","","6399","6410","10.1021/ja991885l","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116103","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Christopher J. Sanders; Kevin M. Gillespie; David Bell; Peter Scott","Structural Origins of a Dramatic Variation in Catalyst Efficiency in Enantioselective Alkene Aziridination: Implications for Design of Ligands Based on Chiral Biaryldiamines","Journal of the American Chemical Society","2000","122","","7132","7133","10.1021/ja994353d","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116134","23.807","0.005","13.334","0.004","11.354","0.006","90","","90","","90","","3604","2","296.2","","296.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C168 H192 O16 -","8","1","","Eiji Shirakawa; Yoshiaki Nakao; Hiroto Yoshida; Tamejiro Hiyama","Nickel-Catalyzed Acylstannylation of 1,3-Dienes: Synthesis and Reaction of ε-Oxoallylstannanes","Journal of the American Chemical Society","2000","122","","9030","9031","10.1021/ja0020409","","","0.7107","MoKα","","","0.043","","","","0.026","","","","","","1.78","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116139","6.4928","0.0001","6.06","0.0002","7.803","0.0003","90","","90","","90","","307.02","0.016","130","2","130","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.0455","0.0415","","0.1066","0.1046","","","","1.193","1.248","1.248","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116148","6.5594","0.0005","6.094","0.0005","7.8524","0.0006","90","","90","","90","","313.88","0.04","298","2","298","2","","","","","","","Fluka","3","P b c a","-P 2ac 2ab","61","Oxalic acid","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C H O2 -","- C8 H8 O16 -","8","1","","Venkat R. Thalladi; Markus Nüsse; Roland Boese","The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids","Journal of the American Chemical Society","2000","122","","9227","9236","10.1021/ja0011459","","","0.71073","MoKα","","0.036","0.0343","","0.0932","0.0925","","","","1.111","1.162","1.162","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116241","34.226","0.009","20.44","0.01","15.638","0.007","90","","90","","90","","10940","8","286.2","","286.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N O2 Si W -","- C29 H31 N O2 Si W -","- C464 H496 N16 O32 Si16 W16 -","16","2","","Hiroyuki Sakaba; Masanori Tsukamoto; Takeshi Hirata; Chizuko Kabuto; Hiroshi Horino","Synthesis, Structure, and Silylene Exchange Reaction of Base-Stabilized Hydrido(silylene)tungsten Complexes and Rearrangement of Hydrosilyl(pyridine)tungsten Complexes to the Base-Stabilized Hydrido(silylene) Complexes via 1,2-Hydrogen Migration","Journal of the American Chemical Society","2000","122","","11511","11512","10.1021/ja993279w","","","0.7107","MoKα","","0.0511","0.0511","","","0.0541","0.0541","","","","","","2.492","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116360","9.3238","0.0004","11.4506","0.0004","34.2187","0.0013","90","","90","","90","","3653.3","0.2","150","0.1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O2 Si2 -","- C17 H24 O2 Si2 -","- C136 H192 O16 Si16 -","8","1","","Wen-wei Huang; Huda Henry-Riyad; Thomas T. Tidwell","Reactions of the ""Stable"" Nitroxyl Radical TEMPO with Ketenes: Formation of a Unique Peroxidic Source of Aminyl Radicals","Journal of the American Chemical Society","1999","121","","3939","3943","10.1021/ja982944i","","","0.71073","MoKα","","0.0669","0.0434","","","0.1078","0.117","","","","","","1.045","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116460","11.82","0.001","7.5952","0.0007","36.186","0.005","90","","90","","90","","3248.6","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Stephen F. Martin; Kenneth J. Barr; Dudley W. Smith; Scott K. Bur","Applications of Vinylogous Mannich Reactions. Concise Enantiospecific Total Syntheses of (+)-Croomine","Journal of the American Chemical Society","1999","121","","6990","6997","10.1021/ja990077r","","","0.71073","MoKα","","0.1213","0.0517","","0.1107","0.0885","","","","1.011","1.152","1.152","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116464","15.9821","0.0004","6.3658","0.0001","19.6955","0.0005","90","","90","","90","","2003.8","0.08","161","2","161","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","meconic acid","","","- C7 H10 O10 -","- C7 H10 O10 -","- C56 H80 O80 -","8","1","","Scott Lovell; Paramjeet Subramony; Bart Kahr","Poppy Acid: Synthesis and Crystal Chemistry","Journal of the American Chemical Society","1999","121","","7020","7025","10.1021/ja990402a","","","0.7107","MoKα","","0.0578","0.0473","","","0.1426","0.1579","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116493","23.282","0.002","16.787","0.002","15.0481","0.0014","90","","90","","90","","5881.3","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Me5CpRe)2[Co2(CO)5]B4H4","","- C25 H34 B4 Co2 O5 Re2 -","- C25 H34 B4 Co2 O5 Re2 -","- C200 H272 B32 Co16 O40 Re16 -","8","1","","Sundargopal Ghosh; Maoyu Shang; Thomas P. Fehlner","A Novel Coordinated Inorganic Benzene: Synthesis and Characterization of {η5-C5Me5Re}2{μ-η6:η6-B4H4Co2(CO)5}","Journal of the American Chemical Society","1999","121","","7451","7452","10.1021/ja991306c","","","0.71073","MoKα","","0.0752","0.0368","","","0.0757","0.0915","","","","","","1","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116508","16.7314","0.0002","17.3877","0.0003","46.0307","0.0006","90","","90","","90","","13391.3","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0622","0.0409","","","0.0924","0.101","","","","","","1.005","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116509","16.6975","0.0003","17.3715","0.0003","45.9434","0.0003","90","","90","","90","","13326.4","0.3","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","o-Cl-HABI & lophine radical","","","- C42 H28 Cl2 N4 -","- C42 H28 Cl2 N4 -","- C672 H448 Cl32 N64 -","16","2","","Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi","The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography","Journal of the American Chemical Society","1999","121","","8106","8107","10.1021/ja9903173","","","0.71073","MoKα","","0.0795","0.0535","","","0.1117","0.121","","","","","","1.08","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116520","31.235","0.004","10.637","0.001","8.579","0.003","90","","90","","90","","2850.3","1.1","132","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1572","0.0631","","0.0919","","0.0696","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116521","31.263","0.004","10.668","0.001","8.604","0.004","90","","90","","90","","2869.6","1.4","175","","175","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1705","0.0673","","0.0978","","0.0717","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116522","31.276","0.003","10.687","0.001","8.62","0.003","90","","90","","90","","2881.2","1.1","190","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1891","0.0746","","0.1027","","0.0781","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116523","31.284","0.002","10.702","0.0006","8.629","0.002","90","","90","","90","","2889","0.7","204","","132","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.222","0.0809","","0.113","","0.0852","","","","","","1.314","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116524","31.292","0.002","10.7148","0.0006","8.637","0.002","90","","90","","90","","2895.9","0.7","219","","219","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1829","0.0677","","0.0911","","0.0705","","","","","","1.223","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116525","31.317","0.002","10.7471","0.0007","8.66","0.002","90","","90","","90","","2914.7","0.7","250","","250","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.2061","0.0779","","0.1123","","0.0849","","","","","","1.221","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116526","31.333","0.002","10.7715","0.0007","8.677","0.002","90","","90","","90","","2928.5","0.7","273","","273","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1434","0.0606","","0.0819","","0.0669","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116527","31.378","0.002","10.8387","0.0006","8.714","0.002","90","","90","","90","","2963.6","0.7","324","","324","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Kazumasa Honda; Fusae Nakanishi; Neil Feeder","Kinetic and Mechanistic Study on Single-Crystal-to-Single-Crystal Photodimerization of 2-Benzyl-5-benzylidenecyclopentanone Utilizing X-ray Diffraction","Journal of the American Chemical Society","1999","121","","8246","8250","10.1021/ja991386k","","","0.71073","MoKα","","0.1657","0.0611","","0.0836","","0.0659","","","","","","1.376","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116556","18.6416","0.0002","18.8457","0.0004","24.151","0.0004","90","","90","","90","","8484.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H74 Au4 F12 P6 S2 -","- C86 H74 Au4 F12 P6 S2 -","- C344 H296 Au16 F48 P24 S8 -","4","0.5","","Jinhua Chen; Tong Jiang; Gang Wei; Ahmed A. Mohamed; Craig Homrighausen; Jeanette A. Krause Bauer; Alice E. Bruce; Mitchell R. M. Bruce","Electrochemical and Chemical Oxidation of Gold(I) Thiolate Phosphine Complexes: Formation of Gold Clusters and Disulfide","Journal of the American Chemical Society","1999","121","","9225","9226","10.1021/ja991986j","","","0.71073","MoKα","","0.1492","0.0365","","0.0498","0.0376","","","","0.804","0.985","0.985","","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116600","17.815","0.004","16.942","0.003","23.136","0.005","90","","90","","90","","6983","3","173","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H59 I K N8 O -","- C26 H60 I K N8 O -","- C208 H480 I8 K8 N64 O8 -","8","1","","Jineun Kim; Andrew S. Ichimura; Rui H. Huang; Mikhail Redko; Richard C. Phillips; James E. Jackson; James L. Dye","Crystalline Salts of Na-and K-(Alkalides) that Are Stable at Room Temperature","Journal of the American Chemical Society","1999","121","","10666","10667","10.1021/ja992667v","","","0.71073","MoKα","","0.0788","0.0521","","0.1271","0.1147","","","","1.036","1.09","1.09","","","","","has coordinates","178937","2020-10-21","18:00:00",""
"4116696","15.688","0.002","17.534","0.003","9.305","0.0009","90","","90","","90","","2559.6","0.6","293.2","","293.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O5 S2 W -","- C9 H6 O5 S2 W -","- C72 H48 O40 S16 W8 -","8","1","","Richard D. Adams; J. W. Long; Joseph L. Perrin","A New Route to Dihydrodithiins by a Catalytic Reaction of Vinylthiiranes with W(CO)5(NCMe)","Journal of the American Chemical Society","1998","120","","1922","1923","10.1021/ja973880z","","","0.7107","MoKalpha","","","0.022","","","0.0229","","","","","1.381","1.381","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116783","13.101","0.002","10.896","0.002","23.203","0.004","90","","90","","90","","3312.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl2 Mn N5 O4 -","- C10 H24 Cl2 Mn N5 O4 -","- C80 H192 Cl16 Mn8 N40 O32 -","8","1","","Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt","Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands","Journal of the American Chemical Society","1998","120","","7260","7270","10.1021/ja980686j","","","0.71073","MoKα","","0.0313","0.0272","","0.067","0.0629","","","","1.175","1.197","1.197","","","","","has coordinates,has disorder","178938","2020-10-21","18:00:00",""
"4116843","21.792","0.002","18.511","0.005","13.358","0.004","90","","90","","90","","5389","2","173.2","","173.2","","","","","","","","","6","P b c a","-P 2ac 2ab","61","cis-complex","","","- C21 H10 F12 Mn N4 O4 -","- C21 H10 F12 Mn N4 O4 -","- C168 H80 F96 Mn8 N32 O32 -","8","1","","Satoru Karasawa; Yoko Sano; Takeyuki Akita; Noboru Koga; Tetsuji Itoh; Hiizu Iwamura; Pierre Rabu; Marc Drillon","Photochemical Formation of Ferrimagnetic Chains from a Pair of Polymeric Complexes Made of Octahedral Bis(hexafluoroacetylacetonato)manganese(II) with Diazodi(4-pyridyl)methane in the Cis and Trans Configurations as Repeating Units","Journal of the American Chemical Society","1998","120","","10080","10087","10.1021/ja981293n","","","0.7107","MoKα","","0.1259","0.0616","","0.0716","0.0615","","","","2.154","2.559","2.559","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116858","16.7964","0.0002","15.6983","0.0002","22.3627","0.0001","90","","90","","90","","5896.48","0.11","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H30 O P2 Pd -","- C36 H30 O P2 Pd -","- C288 H240 O8 P16 Pd8 -","8","1","","W. Donald Cotter; Lauren Barbour; Kristin L. McNamara; Rachel Hechter; Rene J. Lachicotte","Thermodynamics and Mechanism of the Reversible Tin-to-Palladium Transmetalation of the Furyl Group","Journal of the American Chemical Society","1998","120","","11016","11017","10.1021/ja980901w","","","0.71073","MoKα","","0.0364","0.0306","","0.0724","0.0701","","","","1.128","1.151","1.151","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116925","17.765","0.003","17.662","0.007","12.461","0.003","90","","90","","90","","3909.8","1.9","293.2","","293.2","","","","","","","","","3","P b c a","-P 2ac 2ab","61","tetrairon acetylene cluster","","","- C24 H24 Fe4 -","- C24 Fe4 -","- C192 Fe32 -","8","1","","Masaaki Okazaki; Takeo Ohtani; Shinji Inomata; Naohiko Tagaki; Hiroshi Ogino","Reductive Coupling of Carbonyl Ligands on a Cubane-Type Tetrairon Cluster [Cp4Fe4(CO)4] or [(MeC5H4)4Fe4(CO)4] To Give an Acetylene-Coordinated Cluster [Cp4Fe4(HC\τbCH)2] or [(MeC5H4)4Fe4(HC\τbCH)2]","Journal of the American Chemical Society","1998","120","","9135","9138","10.1021/ja980669u","","","0.7107","MoKα","","","0.0565","","","0.0847","","","","","0.809","0.809","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116939","17.0164","0.0002","16.9922","0.0003","34.251","","90","","90","","90","","9903.5","0.2","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Mo N6 Si3 -","- C15 H39 Mo N6 Si3 -","- C240 H624 Mo16 N96 Si48 -","16","2","","Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock","""Fixation"" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex","Journal of the American Chemical Society","1997","119","","2753","2754","10.1021/ja963822y","","","0.71073","MoKα","","0.0554","0.0459","","0.106","0.0969","","","","1.245","1.269","1.269","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116941","20.418","0.002","19.2789","0.0014","37.606","0.002","90","","90","","90","","14803","2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H96 B Fe2 N7 O5 -","- C84 H96 B Fe2 N7 O5 -","- C672 H768 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1226","0.0816","","0.3213","0.2153","","","","1.021","1.012","1.012","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116942","20.5573","0.0009","19.3176","0.0008","37.7437","0.0014","90","","90","","90","","14988.7","1.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C84 H95 B Fe2 N7 O5 -","- C84 H95 B Fe2 N7 O5 -","- C672 H760 B8 Fe16 N56 O40 -","8","1","","Jonathan D. Cohen; Sonha C. Payne; Karl S. Hagen; Joann Sanders-Loehr","Raman Evidence for a Trapped-Valence FeII-O-FeIII Complex Formed from an Outer-Sphere Reaction of Diiron(II) with Dioxygen","Journal of the American Chemical Society","1997","119","","2960","2961","10.1021/ja9638871","","","1.54178","CuKα","","0.1304","0.0716","","0.2175","0.1729","","","","1.022","1.113","1.113","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116977","11.4973","0.0015","23.932","0.003","24.811","0.003","90","","90","","90","","6826.8","1.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H35 F P2 Pd -","- C42 H35 F P2 Pd -","- C336 H280 F8 P16 Pd8 -","8","1","","Scott L. Fraser; Mikhail Yu. Antipin; Viktor N. Khroustalyov; Vladimir V. Grushin","Molecular Fluoro Palladium Complexes","Journal of the American Chemical Society","1997","119","","4769","4770","10.1021/ja963984u","","","0.71073","MoKα","","0.0807","0.047","","0.2067","0.1101","","","","1.054","1.069","1.069","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116979","21.137","0.004","22.327","0.005","9.149","0.002","90","","90","","90","","4317.6","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H35 P -","- C23 H35 P -","- C184 H280 P8 -","8","1","","György Keglevich; Zsolt Böcskei; György Miklós Keserü; Kálmán Újszászy; Louis D. Quin","1-(2,4,6-Tri-tert-butylphenyl)-3-methylphosphole: A Phosphole with a Significantly Flattened Phosphorus Pyramid Having Pronounced Characteristics of Aromaticity","Journal of the American Chemical Society","1997","119","","5095","5099","10.1021/ja970463d","","","1.54178","CuKα","","0.1961","0.0729","","0.2797","0.1854","","","","1.043","1.103","1.103","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116987","7.6495","0.0014","12.384","0.006","27.867","0.012","90","","90","","90","","2639.9","1.8","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N O4 S2 V -","- C11 H14 N O4 S2 V -","- C88 H112 N8 O32 S16 V8 -","8","1","","Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle","Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex","Journal of the American Chemical Society","1997","119","","5986","5987","10.1021/ja971007s","","","0.71073","MolybdenumKα","","0.046","0.046","","0.047","0.047","","","","","1.15","1.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117059","16.0335","0.0003","17.4135","0.0001","18.3742","0.0003","90","","90","","90","","5130.06","0.13","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Ni P2 S -","- C26 H40 Ni P2 S -","- C208 H320 Ni8 P16 S8 -","8","1","","David A. Vicic; William D. Jones","Room-Temperature Desulfurization of Dibenzothiophene Mediated by [(i-Pr2PCH2)2NiH]2","Journal of the American Chemical Society","1997","119","","10855","10856","10.1021/ja972544f","","","0.71073","MoKα","","0.0616","0.0485","","0.086","0.082","","","","1.226","1.261","1.261","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117078","7.459","0.001","14.509","0.003","23.751","0.005","90","","90","","90","","2570.4","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-bis(m-bromophenyl)formamidine","","- C13 H10 Br2 N2 -","- C13 H10 Br2 N2 -","- C104 H80 Br16 N16 -","8","1","","Romana Anulewicz; Iwona Wawer; Tadeusz Marek Krygowski; Ferdinand Männle; Hans-Heinrich Limbach","Combined X-ray Diffraction and15N CPMAS NMR Study of Molecular Structure and Proton Order/Disorder Phenomena in Cyclic N,N'-Bisarylformamidine Dimers","Journal of the American Chemical Society","1997","119","","12223","12230","10.1021/ja970699h","","","1.54178","CuKα","","0.0819","0.0751","","0.2669","0.2377","","","","1.109","1.153","1.153","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117096","15.627","0.002","10.872","0.001","16.462","0.002","90","","90","","90","","2796.8","0.6","213","2","213","2","","","","","","","Compound was prepared by stirring a suspension of [Bu4N]2[Re2Cl8] in benzene with an excess of PMe3 for 6 hours at room temperature. Single crystals were obtained by slow diffusion of isomeric hexanes into dichloromethane solution.","5","P b c a","-P 2ac 2ab","61","Bis(μ2-chloro)-tetrachloro-tetrakis(trimethylphosphine)- -di-rhenium (III)","Bis((μ2-chloro)-bis(dichloro-bis(trimethylphosphine))-di- rhenium (III)","","- C12 H36 Cl6 P4 Re2 -","- C12 H36 Cl6 P4 Re2 -","- C48 H144 Cl24 P16 Re8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine","Journal of the American Chemical Society","1997","119","","12541","12549","10.1021/ja9733245","","","0.71073","MoKα","","0.0311","0.0256","","0.0728","0.0591","","","","1.16","1.159","1.159","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117101","11.319","0.002","8.899","0.001","34.051","0.003","90","","90","","90","","3429.9","0.8","296","1","296","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(±)-2-amino-2'-hydroxy-3'-(methoxycarbonyl)-1,1'-binaphtyl","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C176 H136 N8 O24 -","8","1","","Martin Smrčina; Štěpán Vyskočil; Vladimír Hanuš; Miroslav Polášek; Vratislav Langer; Benjamin G. M. Chew; David B. Zax; Hugh Verrier; Kevin Harper; Thomas A. Claxton; Pavel Kočovský","The SN2 Reaction in the Solid State. An Unusual, BAl2 Aminolysis of an Ester Group in Crystalline (\±)-2-Amino-2'-hydroxy-3'-(methoxycarbonyl)- 1,1'-binaphthyl Elucidated by X-ray Diffraction and Isotopic Labeling. New Experimental Evidence for Linearity in SN2 Substitution","Journal of the American Chemical Society","1996","118","","487","488","10.1021/ja951920y","","","0.71069","MoKα","","0.3578","0.0424","","0.2354","0.0973","","","","0.916","1.006","1.006","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117104","10.053","0.005","14.12","0.003","31.005","0.003","90","","90","","90","","4401","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H35 Cl N7 Ni O5 -","- C16 H35 Cl N7 Ni O5 -","- C128 H280 Cl8 N56 Ni8 O40 -","8","1","","Myunghyun Paik Suh; Kye Young Oh; Jae Woo Lee; Yeon Young Bae","Acetamide Coordination in a Nickel(I) Macrocyclic Complex: Synthesis, Properties, and X-ray Crystal Structure of a Five-Coordinate Nickel(I) Iminol Complex of 1,3,6,8,12,15-Hexaazatricyclo[13.3.1.18,12]icosane","Journal of the American Chemical Society","1996","118","","777","783","10.1021/ja953106g","","","0.71073","MoKα","","0.05","0.0447","","0.0983","0.0953","","","","1.104","1.111","1.111","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117158","14.8524","0.0002","13.9105","0.0003","40.8752","0.0002","90","","90","","90","","8445","0.2","133","2","133","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C50 H62 B N4 -","- C50 H62 B N4 -","- C400 H496 B8 N32 -","8","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.1097","0.0642","","0.1398","0.1133","","","","1.168","1.176","1.176","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117174","19.092","0.003","19.716","0.003","21.55","0.003","90","","90","","90","","8112","2","293","2","293","2","","","","","","","Methanol/Dichlormethane","7","P b c a","-P 2ac 2ab","61","","Bis[Hydrotris(3-cumyl-5-methyl-pyrazol-1-yl)- borato-zink-hydroxid]-hydro-perchlorat","","- C39 H47 B Cl N6 O5 Zn -","- C39 H47 B Cl0.5 N6 O3 Zn -","- C312 H376 B8 Cl4 N48 O24 Zn8 -","8","1","","Michael Ruf; Karl Weis; Heinrich Vahrenkamp","Zn-O2H3-Zn: a Coordination Mode of the Hydrolytic Zinc-Aqua Function and a Possible Structural Motif for Oligozinc Enzymes","Journal of the American Chemical Society","1996","118","","9288","9294","10.1021/ja960629v","","","0.71073","MoKα","","0.1314","0.0557","","0.2134","0.1442","","","","1.056","1.011","1.011","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117194","15.131","0.003","16.406","0.003","15.683","0.004","90","","90","","90","","3893.1","1.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H14 Au I2 P -","- C18 H14 Au I2 P -","- C144 H112 Au8 I16 P8 -","8","1","","Martin A. Bennett; Suresh K. Bhargava; David C. R. Hockless; Lee L. Welling; Anthony C. Willis","Dinuclear Cycloaurated Complexes Containing Bridging (2-Diphenylphosphino)phenylphosphine and (2-Diethylphosphino)phenylphosphine, C6H4PR2 (R = Ph, Et). Carbon-Carbon Bond Formation by Reductive Elimination at a Gold(II)-Gold(II) Center","Journal of the American Chemical Society","1996","118","","10469","10478","10.1021/ja961511h","","","0.71069","MolybdenumKα","","0.111","0.034","","0.052","0.046","","","","1.168","1.438","1.438","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117381","14.3729","0.0007","14.3342","0.0007","16.5005","0.0008","90","","90","","90","","3399.5","0.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","ClBBO.SbF6.MeCN","","","- C8 H3 Cl F6 N3 O S4 Sb -","- C8 H3 Cl F6 N3 O S4 Sb -","- C64 H24 Cl8 F48 N24 O8 S32 Sb8 -","8","1","","Xin Yu; Aaron Mailman; Kristina Lekin; Abdeljalil Assoud; Craig M. Robertson; Bruce C. Noll; Charles F. Campana; Judith A. K. Howard; Paul A. Dube; Richard T. Oakley","Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors","Journal of the American Chemical Society","2012","134","","2264","2275","10.1021/ja209841z","","","0.71073","MoKα","","0.0593","0.0458","","","0.0803","0.0863","","","","","","1.263","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4117446","13.057","0.003","12.612","0.003","15.7","0.003","90","","90","","90","","2585.4","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H15 B2 Cl F8 N2 -","- C7 H15 B2 Cl F8 N2 -","- C56 H120 B16 Cl8 F64 N16 -","8","1","","Quentin Michaudel; Damien Thevenet; Phil S. Baran","Intermolecular Ritter-Type C-H Amination of Unactivated sp3Carbons","Journal of the American Chemical Society","2012","134","","2547","2550","10.1021/ja212020b","","","0.71073","MoKα","","0.105","0.0979","","","0.2369","0.2406","","","","","","1.216","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117490","9.2851","0.0003","30.0971","0.0009","37.5323","0.0009","90","","90","","90","","10488.6","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H39 Au3 F6 N6 S6 -","- C51 H39 Au3 F6 N6 S6 -","- C408 H312 Au24 F48 N48 S48 -","8","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.1099","0.0997","","","0.2611","0.2699","","","","","","1.144","","","","has coordinates,has disorder","178945","2020-10-21","18:00:00",""
"4117520","19.562","0.012","20.298","0.013","7.523","0.005","90","","90","","90","","2987","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","dithiophene-benzothiazole","Me2T-BT","","- C16 H12 N2 S3 -","- C16 H12 N2 S3 -","- C128 H96 N16 S24 -","8","1","","Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya","Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer","Journal of the American Chemical Society","2012","134","","3498","3507","10.1021/ja210687r","","","0.7107","MoKα","","0.0842","0.0599","","","0.1463","0.1656","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117529","14.7367","0.0004","7.3238","0.0002","30.8713","0.0008","90","","90","","90","","3331.9","0.15","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C144 H176 O56 -","8","1","","Axel Kirste; Bernd Elsler; Gregor Schnakenburg; Siegfried R. Waldvogel","Efficient Anodic and Direct Phenol-Arene C,C Cross-Coupling: The Benign Role of Water or Methanol","Journal of the American Chemical Society","2012","134","","3571","3576","10.1021/ja211005g","","","0.71073","MoKα","","0.095","0.0411","","","0.0764","0.0879","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117546","8.8193","0.0017","15.674","0.003","20.839","0.004","90","","90","","90","","2880.7","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","12% H, 88% F","","- C14 H13.48 F3.52 N4 O2 -","- C14 H13.48 F3.52 N4 O2 -","- C112 H107.84 F28.16 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0674","0.0447","","","0.098","0.1081","","","","","","1.045","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117547","8.7678","0.0007","15.631","0.0012","20.7838","0.0016","90","","90","","90","","2848.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N4 O2 -","- C14 H14 F3 N4 O2 -","- C112 H112 F24 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0487","0.0391","","","0.096","0.1015","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117548","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178946","2020-10-21","18:00:00",""
"4117549","8.6527","0.0008","15.3511","0.0015","20.396","0.002","90","","90","","90","","2709.2","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 F N4 O2 -","- C14 H16 F N4 O2 -","- C112 H128 F8 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0682","0.0571","","","0.1314","0.137","","","","","","1.176","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117550","8.6503","0.0008","15.31","0.0014","20.3524","0.0018","90","","90","","90","","2695.4","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.32 F0.68 N4 O2 -","- C14 H16.32 F0.68 N4 O2 -","- C112 H130.56 F5.44 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0594","0.0541","","","0.1247","0.1278","","","","","","1.139","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117551","8.651","0.004","15.285","0.006","20.327","0.008","90","","90","","90","","2687.9","1.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.7 F0.4 N4 O2 -","- C14 H16.7 F0.4 N4 O2 -","- C112 H133.6 F3.2 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1129","0.0658","","","0.1425","0.1658","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117552","8.6236","0.0006","15.2101","0.001","20.2137","0.0013","90","","90","","90","","2651.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C112 H136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0476","0.0401","","","0.1008","0.1054","","","","","","1.065","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117554","8.8962","0.0002","16.1695","0.0004","20.6719","0.0005","90","","90","","90","","2973.59","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27.6 F6.4 N8 O4 -","- C28 H27.6 F6.4 N8 O4 -","- C112 H110.4 F25.6 N32 O16 -","4","0.5","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.1233","0.1056","","","0.3311","0.3467","","","","","","2.786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117555","8.7685","0.0003","15.6827","0.0006","20.2294","0.0009","90","","90","","90","","2781.82","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16.11 F0.89 N4 O2 -","- C14 H13 F0.892 N4 O2 -","- C112 H104 F7.136 N32 O16 -","8","1","","Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti","Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals","Journal of the American Chemical Society","2012","134","","3825","3833","10.1021/ja2104697","","","0.71073","MoKα","","0.0859","0.0563","","","0.1328","0.1443","","","","","","1.1","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117558","14.5542","0.0005","11.5548","0.0004","18.0747","0.0007","90","","90","","90","","3039.64","0.19","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","work","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C128 H168 N8 O16 S8 -","8","1","","P. Andrew Evans; Phillip A. Inglesby","Diastereoselective Rhodium-Catalyzed Ene-Cycloisomerization Reactions of Alkenylidenecyclopropanes: Total Synthesis of (-)-α-Kainic Acid","Journal of the American Chemical Society","2012","134","","3635","3638","10.1021/ja210804r","","","0.71073","MoKα","","0.0349","0.0321","","","0.0836","0.0858","","","","","","1.067","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117566","17.207","0.003","7.2719","0.0012","18.428","0.003","90","","90","","90","","2305.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C104 H96 N16 O24 -","8","1","","Brent E. Dial; Perry J. Pellechia; Mark D. Smith; Ken D. Shimizu","Proton Grease: An Acid Accelerated Molecular Rotor","Journal of the American Chemical Society","2012","134","","3675","3678","10.1021/ja2120184","","","0.71073","MoKα","","0.0805","0.0454","","","0.0793","0.0868","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117630","20.9727","0.0005","9.3428","0.0002","27.9724","0.0006","90","","90","","90","","5481","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Mg N2 O5 -","- C29 H18 F6 Mg N2 O5 -","- C232 H144 F48 Mg8 N16 O40 -","8","1","","Ana E. Platero-Prats; Víctor A. de la Peña-O'Shea; Davide M. Proserpio; Natalia Snejko; Enrique Gutiérrez-Puebla; Ángeles Monge","Insight into the SBU Condensation in Mg Coordination and Supramolecular Frameworks: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2012","134","","4762","4771","10.1021/ja210564a","","","1.54178","CuKα","","0.0425","0.0305","","","0.0724","0.0789","","","","","","1.052","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117651","25.3048","0.0002","19.0247","0.0001","25.8306","0.0002","90","","90","","90","","12435.3","0.15","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C57 H58 B F24 O P2 Rh S -","- C57 H58 B F24 O P2 Rh S -","- C456 H464 B8 F192 O8 P16 Rh8 S8 -","8","1","","Adrian B. Chaplin; Joel F. Hooper; Andrew S. Weller; Michael C. Willis","Intermolecular Hydroacylation: High Activity Rhodium Catalysts Containing Small-Bite-Angle Diphosphine Ligands","Journal of the American Chemical Society","2012","134","","4885","4897","10.1021/ja211649a","","","0.71073","MoKα","","0.0628","0.0379","","","0.0899","0.1008","","","","","","1.019","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117680","13.673","0.003","14.561","0.003","24.254","0.005","90","","90","","90","","4828.8","1.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 B2 N2 O4 -","- C21 H34 B2 N2 O4 -","- C168 H272 B16 N16 O32 -","8","1","","Abel Ros; Rocío López-Rodríguez; Beatriz Estepa; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Hydrazone as the directing Group for Ir-Catalyzed Arene Diborylations and Sequential Functionalizations","Journal of the American Chemical Society","2012","134","","4573","4576","10.1021/ja300308c","","","0.71073","MoKα","","0.1055","0.0779","","","0.1682","0.2022","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117775","21.499","0.002","19.7847","0.0018","26.014","0.002","90","","90","","90","","11065.1","1.7","88","2","88","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H85 K N3 O7 Si6 Y -","- C38 H85 K N3 O7 Si6 Y -","- C304 H680 K8 N24 O56 Si48 Y8 -","8","1","","Ming Fang; Joy H. Farnaby; Joseph W. Ziller; Jefferson E. Bates; Filipp Furche; William J. Evans","Isolation of (CO)1- and (CO2)1-Radical Complexes of Rare Earths via Ln(NR2)3/K Reduction and [K2(18-crown-6)2]2+ Oligomerization","Journal of the American Chemical Society","2012","134","","6064","6067","10.1021/ja211220r","","","0.71073","MoKα","","0.0795","0.0654","","","0.1699","0.1819","","","","","","1.051","","","","has coordinates,has disorder","178948","2020-10-21","18:00:00",""
"4117876","16.4875","0.0005","16.8851","0.0005","17.0029","0.0004","90","","90","","90","","4733.5","0.2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C34 H22 O4 -","- C34 H22 O4 -","- C272 H176 O32 -","8","1","","Brett VanVeller; Derek J. Schipper; Timothy M. Swager","Polycyclic Aromatic Triptycenes: Oxygen Substitution Cyclization Strategies","Journal of the American Chemical Society","2012","134","","7282","7285","10.1021/ja3018253","","","1.54178","CuKα","","0.0899","0.0734","","","0.2573","0.2715","","","","","","1.098","","","","has coordinates,has disorder","178949","2020-10-21","18:00:00",""
"4117912","18.4243","0.0007","17.626","0.0007","23.0612","0.001","90","","90","","90","","7489","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H50 N2 O6 Ru -","- C40 H50 N2 O6 Ru -","- C320 H400 N16 O48 Ru8 -","8","1","","Myles B. Herbert; Yu Lan; Benjamin K. Keitz; Peng Liu; Koji Endo; Michael W. Day; K. N. Houk; Robert H. Grubbs","Decomposition Pathways of Z-Selective Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2012","134","","7861","7866","10.1021/ja301108m","","","0.71073","MoKα","","0.0973","0.0405","","","0.0549","0.0571","","","","","","2.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117969","8.2014","0.0005","22.2986","0.0013","28.7001","0.0017","90","","90","","90","","5248.7","0.5","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Ho Si3 -","- C24 H39 Ho Si3 -","- C192 H312 Ho8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.022","0.0176","","","0.0435","0.0457","","","","","","1.047","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117972","8.1874","0.0004","22.3083","0.0012","28.5628","0.0015","90","","90","","90","","5216.9","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Er Si3 -","- C24 H39 Er Si3 -","- C192 H312 Er8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0309","0.0231","","","0.047","0.0494","","","","","","1.092","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117985","12.40931","0.00014","14.52864","0.00016","27.6028","0.0003","90","","90","","90","","4976.52","0.1","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B F4 Fe N5 S -","- C26 H24 B F4 Fe N5 S -","- C208 H192 B8 F32 Fe8 N40 S8 -","8","1","","Alison C. McQuilken; Yunbo Jiang; Maxime A. Siegler; David P. Goldberg","Addition of Dioxygen to an N4S(thiolate) Iron(II) Cysteine Dioxygenase Model Gives a Structurally Characterized Sulfinato-Iron(II) Complex","Journal of the American Chemical Society","2012","134","","8758","8761","10.1021/ja302112y","","","0.71073","MoKα","","0.0355","0.0297","","","0.0739","0.077","","","","","","1.051","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4118006","19.9666","0.0013","11.1947","0.0007","32.531","0.002","90","","90","","90","","7271.3","0.8","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jongc04","Tp'Rh(CNneopentyl)(CCSiMe3)Cl","","- C32 H48 B Cl N7 Rh Si -","- C32 H48 B Cl N7 Rh Si -","- C256 H384 B8 Cl8 N56 Rh8 Si8 -","8","1","","Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones","C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths","Journal of the American Chemical Society","2012","134","","9276","9284","10.1021/ja301095r","","","0.71073","MoKα","","0.0891","0.046","","","0.1179","0.1293","","","","","","1.044","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118009","14.951","0.002","16.424","0.002","17.657","0.002","90","","90","","90","","4335.8","0.9","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","Cp2Zr[N(t-Bu)SiHMe2]OTf","","","- C17 H26 F3 N O3 S Si Zr -","- C17 H26 F3 N O3 S Si Zr -","- C136 H208 F24 N8 O24 S8 Si8 Zr8 -","8","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0646","0.0337","","","0.0691","0.0806","","","","","","0.997","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118042","17.3147","0.0007","12.8809","0.0009","21.1273","0.0011","90","","90","","90","","4712","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu(pytren-al)](ClO4)2","","","- C16 H30 Cl2 Cu N6 O8 -","- C16 H30 Cl2 Cu N6 O8 -","- C128 H240 Cl16 Cu8 N48 O64 -","8","1","","Mario Inclán; M. Teresa Albelda; Juan C. Frías; Salvador Blasco; Begoña Verdejo; Carolina Serena; Clàudia Salat-Canela; Maria Luisa Díaz; Antonio García-España; Enrique García-España","Modulation of DNA Binding by Reversible Metal-Controlled Molecular Reorganizations of Scorpiand-like Ligands","Journal of the American Chemical Society","2012","134","","9644","9656","10.1021/ja300538s","","","0.71073","MoKα","","0.2335","0.1075","","","0.2313","0.3395","","","","","","1.004","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118043","12.9833","0.0004","14.3872","0.0004","15.1944","0.0004","90","","90","","90","","2838.21","0.14","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H22 F6 P2 -","- C9 H22 F6 P2 -","- C72 H176 F48 P16 -","8","1","","Liyu Jin; Kate M. Nairn; Craig M. Forsyth; Aaron J. Seeber; Douglas R. MacFarlane; Patrick C. Howlett; Maria Forsyth; Jennifer M. Pringle","Structure and Transport Properties of a Plastic Crystal Ion Conductor: Diethyl(methyl)(isobutyl)phosphonium Hexafluorophosphate","Journal of the American Chemical Society","2012","134","","9688","9697","10.1021/ja301175v","","","0.71073","MoKα","","0.0537","0.0366","","","0.0878","0.0976","","","","","","1.045","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118108","16.7015","0.0005","6.6866","0.0002","17.7346","0.0005","90","","90","","90","","1980.53","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-hyponitrite 2,2-bipridine nickel (II)","","- C10 H8 N4 Ni O2 -","- C10 H8 N4 Ni O2 -","- C80 H64 N32 Ni8 O16 -","8","1","","Ashley M. Wright; Guang Wu; Trevor W. Hayton","Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate","Journal of the American Chemical Society","2012","134","","9930","9933","10.1021/ja304204q","","","0.71073","MoKα","","0.0558","0.0309","","","0.0607","0.068","","","","","","1.013","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118203","13.891","0.002","10.0196","0.0018","22.79","0.002","90","","90","","90","","3172","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H22 Br N O5 S -","- C12 H22 Br N O5 S -","- C96 H176 Br8 N8 O40 S8 -","8","1","","Christopher S. Adams; Luke A. Boralsky; Ilia A. Guzei; Jennifer M. Schomaker","Modular Functionalization of Allenes to Aminated Stereotriads","Journal of the American Chemical Society","2012","134","","10807","10810","10.1021/ja304859w","","","1.54178","CuKα","","0.0409","0.0345","","","0.0814","0.0853","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118245","11.5987","0.0018","10.7814","0.0016","23.414","0.004","90","","90","","90","","2927.9","0.8","273","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H22 N O2 P -","- C12 H22 N O2 P -","- C96 H176 N8 O16 P8 -","8","1","","Nicole L. Dunn; Minji Ha; Alexander T. Radosevich","Main Group Redox Catalysis: Reversible PIII/PV Redox Cycling at a Phosphorus Platform","Journal of the American Chemical Society","2012","134","","11330","11333","10.1021/ja302963p","","","0.71073","MoKα","","0.0742","0.0588","","","0.1305","0.1382","","","","","","1.118","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118248","10.699","0.0011","18.0954","0.0019","20.924","0.002","90","","90","","90","","4050.9","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H25 B F3 N O4 -","- C18 H25 B F3 N O4 -","- C144 H200 B8 F24 N8 O32 -","8","1","","Philipp C. Roosen; Venkata A. Kallepalli; Buddhadeb Chattopadhyay; Daniel A. Singleton; Robert E. Maleczka; Milton R. Smith","Outer-Sphere Direction in Iridium C-H Borylation","Journal of the American Chemical Society","2012","134","","11350","11353","10.1021/ja303443m","","x-ray","0.71073","MoKα","","0.0659","0.0424","","","0.0942","0.1051","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118444","13.0479","0.0004","14.4505","0.0005","24.4704","0.0008","90","","90","","90","","4613.9","0.3","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H38 O3 Si -","- C23 H38 O3 Si -","- C184 H304 O24 Si8 -","8","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0763","0.0696","","","0.1892","0.197","","","","","","1.027","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118521","9.5549","0.0006","5.8171","0.0004","15.2998","0.001","90","","90","","90","","850.39","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N2 S -","- C3 H4 N2 S -","- C24 H32 N16 S8 -","8","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0255","0.0222","","","0.0586","0.061","","","","","","1.064","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118538","14.8107","0.0003","20.4279","0.0003","22.5012","0.0005","90","","90","","90","","6807.8","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F6 P2 Pt -","- C32 H48 F6 P2 Pt -","- C256 H384 F48 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.091","0.0507","","","0.0985","0.1099","","","","","","0.982","","","","has coordinates,has disorder","178956","2020-10-21","18:00:00",""
"4118539","16.2512","0.0002","17.3402","0.0002","23.8768","0.0003","90","","90","","90","","6728.46","0.14","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H48 F5 I P2 Pt -","- C32 H48 F5 I P2 Pt -","- C256 H384 F40 I8 P16 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites","Journal of the American Chemical Society","2012","134","","14027","14032","10.1021/ja3039272","","","0.71073","MoKα","","0.0466","0.0334","","","0.0772","0.0825","","","","","","1.074","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118561","8.6294","0.0002","18.2879","0.0005","25.7845","0.0006","90","","90","","90","","4069.14","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H20 N P -","- C28 H20 N P -","- C224 H160 N8 P8 -","8","1","","Alexandra Velian; Christopher C. Cummins","Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene","Journal of the American Chemical Society","2012","134","","13978","13981","10.1021/ja306902j","","","1.54178","CuKα","","0.0381","0.0338","","","0.0853","0.0885","","","","","","1.061","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118682","5.4494","0.0002","13.956","0.0006","38.3035","0.0016","90","","90","","90","","2913.1","0.2","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0706","0.0535","","0.1586","0.1289","0.1586","","","","","","0.8702","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118683","7.6002","0.0011","14.786","0.002","26.613","0.004","90","","90","","90","","2990.7","0.7","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C128 H168 N40 -","8","1","","Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism","Journal of the American Chemical Society","2012","134","","16000","16007","10.1021/ja307316s","","","0.71073","MoKα","","0.0917","0.0843","","0.1765","0.1617","0.1765","","","","","","1.0759","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118700","5.9275","0.0002","22.3693","0.0008","25.6873","0.0009","90","","90","","90","","3406","0.2","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C152 H176 O40 -","8","1","","Hao Wang; Philipp Kohler; Larry E. Overman; K. N. Houk","Origins of Stereoselectivities of Dihydroxylations of cis-Bicyclo[3.3.0]octenes","Journal of the American Chemical Society","2012","134","","16054","16058","10.1021/ja3075538","","","0.71073","MoKα","","0.0456","0.0361","","","0.0901","0.0965","","","","","","1.021","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118711","17.72","0.007","27.001","0.011","34.238","0.014","90","","90","","90","","16381","11","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 Er3 N16 O5 -","- C72 H60 Cl9 Er3 N16 O5 -","- C576 H480 Cl72 Er24 N128 O40 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.2539","0.1456","","","0.3499","0.4152","","","","","","1.118","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118712","17.768","0.008","26.809","0.011","34.069","0.014","90","","90","","90","","16229","12","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C72 H60 Cl9 N16 O5 Yb3 -","- C72 H60 Cl9 N16 O5 Yb3 -","- C576 H480 Cl72 N128 O40 Yb24 -","8","1","","Christine Doffek; Nicola Alzakhem; Caroline Bischof; Jessica Wahsner; Tuba Güden-Silber; Joachim Lügger; Carlos Platas-Iglesias; Michael Seitz","Understanding the Quenching Effects of Aromatic C-H- and C-D-Oscillators in Near-IR Lanthanoid Luminescence","Journal of the American Chemical Society","2012","134","","16413","16423","10.1021/ja307339f","","","0.71073","MoKα","","0.253","0.1561","","","0.3685","0.4357","","","","","","1.141","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118722","14.539","0.0012","5.798","0.0006","24.629","0.002","90","","90","","90","","2076.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H9 F3 O -","- C13 H9 F3 O -","- C104 H72 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0591","0.0419","","","0.1044","0.1138","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118723","14.8625","0.0009","5.8223","0.0003","20.7554","0.0011","90","","90","","90","","1796.05","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H6 Cl F3 O -","- C9 H6 Cl F3 O -","- C72 H48 Cl8 F24 O8 -","8","1","","Petr Novák; Anton Lishchynskyi; Vladimir V. Grushin","Trifluoromethylation of α-Haloketones","Journal of the American Chemical Society","2012","134","","16167","16170","10.1021/ja307783w","","","0.71073","MoKα","","0.0583","0.0476","","","0.1271","0.1368","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118811","20.709","0.003","12.9232","0.0018","23.009","0.003","90","","90","","90","","6157.8","1.5","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H16 Br4 Cl4 O3 -","- C30 H20 Br4 Cl4 O3 -","- C240 H160 Br32 Cl32 O24 -","8","1","","Hiroki Takezawa; Takashi Murase; Makoto Fujita","Temporary and Permanent Trapping of the Metastable Twisted Conformer of an Overcrowded Chromic Alkene via Encapsulation","Journal of the American Chemical Society","2012","134","","17420","17423","10.1021/ja308101a","","","0.71073","MoKα","","0.0672","0.0405","","","0.0721","0.0838","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118814","14.3146","0.0017","14.1503","0.0017","23.972","0.003","90","","90","","90","","4855.7","1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-bis(trimethylsilyl)aminoisonitrile","","- C7 H18 N2 Si2 -","- C7 H18 N2 Si2 -","- C112 H288 N32 Si32 -","16","2","","Muhammad Farooq Ibad; Peter Langer; Fabian Reiß; Axel Schulz; Alexander Villinger","Catalytic Trimerization of Bis-silylated Diazomethane","Journal of the American Chemical Society","2012","134","","17757","17768","10.1021/ja308104k","","","0.71073","MoKα","","0.0782","0.0415","","","0.0963","0.1071","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118859","16.0455","0.0003","7.5096","0.0001","26.2686","0.0007","90","","90","","90","","3165.24","0.11","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 B N2 -","- C16 H23 B N2 -","- C128 H184 B8 N16 -","8","1","","Momar Toure; Olivier Chuzel; Jean-Luc Parrain","Asymmetric Rhodium-Directed anti-Markovnikov Regioselective Boracyclopentannulation","Journal of the American Chemical Society","2012","134","","17892","17895","10.1021/ja309018f","","x-ray","0.71073","MoKα","","0.1498","0.0855","","","0.2264","0.2769","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118909","10.3044","0.0008","9.1172","0.0007","27.235","0.002","90","","90","","90","","2558.7","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cl N2 O4 -","- C12 H15 Cl N2 O4 -","- C96 H120 Cl8 N16 O32 -","8","1","","Allison K. Griffith; Christine M. Vanos; Tristan H. Lambert","Organocatalytic Carbonyl-Olefin Metathesis","Journal of the American Chemical Society","2012","134","","18581","18584","10.1021/ja309650u","","","0.71073","MoKα","","0.063","0.0496","","","0.1357","0.1465","","","","","","1.035","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118915","13.08228","0.00015","23.1771","0.0003","26.3615","0.0003","90","","90","","90","","7993.05","0.17","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cl Cu F20 N4 -","- C42 H18 B Cl Cu F20 N4 -","- C336 H144 B8 Cl8 Cu8 F160 N32 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0525","0.0305","","","0.0665","0.0699","","","","","","0.932","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118916","13.3059","0.0002","22.9396","0.0005","26.0492","0.0007","90","","90","","90","","7951.1","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H18 B Cu F20 N5 O2 -","- C42 H18 B Cu F20 N5 O2 -","- C336 H144 B8 Cu8 F160 N40 O16 -","8","1","","Shabnam Hematian; Maxime A. Siegler; Kenneth D. Karlin","Heme/Copper Assembly Mediated Nitrite and Nitric Oxide Interconversion","Journal of the American Chemical Society","2012","134","","18912","18915","10.1021/ja3083818","","","0.71073","MoKα","","0.0428","0.0317","","","0.0784","0.0833","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118986","10.724","0.004","20.898","0.008","28.226","0.011","90","","90","","90","","6326","4","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H53 B F N2 -","- C35 H53 B F N2 -","- C280 H424 B8 F8 N16 -","8","1","","Yoshitaka Aramaki; Hideki Omiya; Makoto Yamashita; Koji Nakabayashi; Shin-ichi Ohkoshi; Kyoko Nozaki","Synthesis and Characterization of B-Heterocyclic π-Radical and Its Reactivity as a Boryl Radical","Journal of the American Chemical Society","2012","134","","19989","19992","10.1021/ja3094372","","","0.7107","MoKα","","0.1112","0.0949","","","0.1745","0.1811","","","","","","1.295","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119000","15.455","0.002","14.2299","0.0014","9.9701","0.0009","90","","90","","90","","2192.7","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C104 H160 O16 -","8","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0842","0.0765","","","0.1271","0.1299","","","","","","1.346","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119035","17.0906","0.0003","22.3234","0.0004","26.9891","0.0005","90","","90","","90","","10296.9","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H42 B F5 Fe P4 -","- C54 H42 B F5 Fe P4 -","- C432 H336 B8 F40 Fe8 P32 -","8","1","","Carolin Ziebart; Christopher Federsel; Pazhamalai Anbarasan; Ralf Jackstell; Wolfgang Baumann; Anke Spannenberg; Matthias Beller","Well-Defined Iron Catalyst for Improved Hydrogenation of Carbon Dioxide and Bicarbonate","Journal of the American Chemical Society","2012","134","","20701","20704","10.1021/ja307924a","","","0.71073","MoKα","","0.0859","0.0558","","","0.1391","0.1488","","","","","","0.962","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119057","20.693","0.0013","26.3422","0.0016","28.8106","0.0016","90","","90","","90","","15704.6","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C82 H92 Cl6 Cs F N4 O11 -","- C79 H85 Cs F N4 O10 -","- C632 H680 Cs8 F8 N32 O80 -","8","1","","Sung Kuk Kim; Vincent M. Lynch; Neil J. Young; Benjamin P. Hay; Chang-Hee Lee; Jong Seung Kim; Bruce A. Moyer; Jonathan L. Sessler","KF and CsF Recognition and Extraction by a Calix[4]crown-5 Strapped Calix[4]pyrrole Multitopic Receptor","Journal of the American Chemical Society","2012","134","","20837","20843","10.1021/ja310673p","","","0.71069","MoKα","","0.1695","0.0917","","","0.175","0.1926","","","","","","1.255","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119098","15.032","0.0019","10.7427","0.0014","20.453","0.003","90","","90","","90","","3302.8","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Cu N4 -","- C16 H26 Cu N4 -","- C128 H208 Cu8 N32 -","8","1","","Park, Kyung-Ho; Marshall, Will J.","Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD","Journal of the American Chemical Society","2005","127","26","9330","9331","10.1021/ja051158s","","","0.71073","MoKα","","0.0629","0.0392","","","0.094","0.1074","","","","","","1.064","","","","has coordinates,has disorder","178961","2020-10-21","18:00:00",""
"4119130","12.2218","0.0008","14.4999","0.0013","31.323","0.002","90","","90","","90","","5550.9","0.7","103.15","","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H45 B Cl Ir N2 P2 -","- C24 H45 B Cl Ir N2 P2 -","- C192 H360 B8 Cl8 Ir8 N16 P16 -","8","1","","Segawa, Yasutomo; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of PBP Pincer Iridium Complexes: A Supporting Boryl Ligand","Journal of the American Chemical Society","2009","131","26","9201","9203","10.1021/ja9037092","","","0.7107","MoKα","","0.041","0.0369","","","0.0714","0.0733","","","","","","1.179","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119224","17.236","0.0019","15.7823","0.0017","19.047","0.002","90","","90","","90","","5181.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Al Cl6 N O4 -","- C25 H20 Al Cl6 N O4 -","- C200 H160 Al8 Cl48 N8 O32 -","8","1","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0404","0.0287","","","0.0663","0.0728","","","","","","1.074","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119323","14.9027","0.0012","11.4929","0.0009","19.6962","0.0016","90","","90","","90","","3373.5","0.5","140","1","140","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 Br4 N4 U -","- C24 H58 Br4 N4 U -","- C96 H232 Br16 N16 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0561","0.0332","","","0.0837","0.0903","","","","","","1.263","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119369","22.7381","0.0016","14.1039","0.0003","11.6051","0.0002","90","","90","","90","","3721.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl N -","- C21 H26 Cl N -","- C168 H208 Cl8 N8 -","8","1","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","0.71075","MoKα","","0.0621","0.045","","","0.1078","0.115","","","","","","1.081","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119428","19.6929","0.0009","12.2836","0.0006","24.709","0.0011","90","","90","","90","","5977.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H34 B Cl4 N6 O3 V -","- C26 H34 B Cl4 N6 O3 V -","- C208 H272 B8 Cl32 N48 O24 V8 -","8","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54178","Cu-Kα","","0.0505","0.0342","","","0.0774","0.0835","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119471","26.2296","0.0012","19.7982","0.0009","26.5304","0.0011","90","","90","","90","","13777.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H66 B2 Cu F24 P3 -","- C68 H66 B2 Cu F24 P3 -","- C544 H528 B16 Cu8 F192 P24 -","8","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0779","0.0461","","","0.1105","0.1299","","","","","","1.042","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119496","16.206","0.004","25.131","0.006","25.621","0.006","90","","90","","90","","10435","4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H87 N2 O4 P Pd -","- C54 H87 N2 O4 P Pd -","- C432 H696 N16 O32 P8 Pd8 -","8","1","","Julie Broggi; Václav Jurčík; Olivier Songis; Albert Poater; Luigi Cavallo; Alexandra M. Z. Slawin; Catherine S. J. Cazin","The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid","Journal of the American Chemical Society","2013","135","","4588","4591","10.1021/ja311087c","","","0.71073","MoKα","","0.1742","0.0911","","","0.1796","0.2133","","","","","","1.04","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119564","16.7864","0.0002","18.5842","0.0003","18.8141","0.0003","90","","90","","90","","5869.28","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H32 Br2 O2 -","- C35 H32 Br2 O2 -","- C280 H256 Br16 O16 -","8","1","","Chien-Tien Chen; Chien-Hsiang Chen; Tiow-Gan Ong","Complementary Helicity Interchange of Optically Switchable Supramolecular-Enantiomeric Helicenes with (-)-Gel-Sol-(+)-Gel Transition Ternary Logic","Journal of the American Chemical Society","2013","135","","5294","5297","10.1021/ja401214t","","","0.71073","MoKα","","0.1008","0.0556","","","0.128","0.1548","","","","","","1.166","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119565","13.7342","0.0013","19.8332","0.0018","21.935","0.002","90","","90","","90","","5974.9","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H38 N4 O6 S2 -","- C31 H38 N4 O6 S2 -","- C248 H304 N32 O48 S16 -","8","1","","Yan Yan; Saarangan Krishnakumar; Huan Yu; Srinivas Ramishetti; Lih-Wen Deng; Suhua Wang; Leaf Huang; Dejian Huang","Nickel(II) Dithiocarbamate Complexes Containing Sulforhodamine B as Fluorescent Probes for Selective Detection of Nitrogen Dioxide","Journal of the American Chemical Society","2013","135","","5312","5315","10.1021/ja401555y","","","0.71073","MoKα","","0.1413","0.1192","","","0.3023","0.3133","","","","","","1.06","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119636","16.077","0.017","12.478","0.013","28.12","0.03","90","","90","","90","","5641","10","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1","","","- C16 H32 Cl7 O4 W3 -","- C16 H32 Cl7 O4 W3 -","- C128 H256 Cl56 O32 W24 -","8","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.1752","0.1289","","","0.3048","0.3467","","","","","","1.127","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119646","6.5675","0.0002","17.084","0.0005","21.3686","0.0007","90","","90","","90","","2397.54","0.13","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B F3 N2 -","- C12 H14 B F3 N2 -","- C96 H112 B8 F24 N16 -","8","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.0546","0.0416","","","0.1039","0.1125","","","","","","1.035","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119713","9.4408","0.0016","15.402","0.003","34.191","0.006","90","","90","","90","","4971.6","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H25 N O -","- C36 H25 N O -","- C288 H200 N8 O8 -","8","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0946","0.0564","","","0.1268","0.1506","","","","","","1.029","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119741","23.7483","0.0006","21.7534","0.0006","17.4494","0.0004","90","","90","","90","","9014.5","0.4","130","2","130","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C38 H53 B Cl4 Co Mo N7 O4 S -","- C38 H49 B Cl2 Co Mo N6 O4 S -","- C304 H392 B8 Cl16 Co8 Mo8 N48 O32 S8 -","8","1","","Victor W. L. Ng; Jonathan M. White; Charles G. Young","Structural Characterization and Unusual Reactivity of Oxosulfido-Mo(V) Compounds: Implications for the Structure and Electronic Description of the Very Rapid Form of Xanthine Oxidase","Journal of the American Chemical Society","2013","135","","7106","7109","10.1021/ja4022057","","","1.5418","CuKα","","0.1371","0.0603","","","0.1092","0.1273","","","","","","0.808","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119748","12.5373","0.0007","13.0195","0.0007","16.9104","0.001","90","","90","","90","","2760.3","0.3","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0441","0.0392","","","0.1054","0.1096","","","","","","1.046","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119761","15.1437","0.0008","10.5693","0.0005","10.0807","0.0006","90","","90","","90","","1613.5","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.1005","0.0492","","0.1034","0.074","0.1034","","","","","","0.9706","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119762","14.3358","0.0005","10.7957","0.0003","9.8884","0.0003","90","","90","","90","","1530.38","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0339","0.024","","0.0455","0.0374","0.0448","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119763","14.3999","0.0005","10.7847","0.0003","9.8963","0.0003","90","","90","","90","","1536.88","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0397","0.027","","0.0429","0.0363","0.0429","","","","","","0.9309","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119764","14.4689","0.0005","10.7738","0.0003","9.9041","0.0003","90","","90","","90","","1543.9","0.08","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0392","0.0263","","0.0546","0.0438","0.0546","","","","","","0.9507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119765","14.5094","0.0005","10.7659","0.0004","9.9113","0.0003","90","","90","","90","","1548.21","0.09","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.043","0.028","","0.0522","0.0436","0.0522","","","","","","0.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119766","14.609","0.0005","10.7472","0.0004","9.9276","0.0004","90","","90","","90","","1558.69","0.1","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0469","0.0293","","0.0524","0.042","0.0519","","","","","","0.9542","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119767","14.7195","0.0006","10.7233","0.0004","9.95","0.0004","90","","90","","90","","1570.52","0.11","360","","360","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0562","0.0314","","0.0598","0.0442","0.0598","","","","","","0.9547","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119768","14.8002","0.0007","10.7012","0.0005","9.9666","0.0005","90","","90","","90","","1578.51","0.13","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0639","0.0368","","0.0872","0.0648","0.0872","","","","","","0.9893","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119769","14.9768","0.0008","10.6404","0.0005","10.0105","0.0006","90","","90","","90","","1595.26","0.15","460","","460","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0788","0.0414","","0.0811","0.0589","0.0811","","","","","","0.9968","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119772","12.2842","0.0016","7.6537","0.001","7.5151","0.001","90","","90","","90","","706.57","0.16","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.677","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119773","12.67156","0.00063","6.99321","0.0006","6.77444","0.00045","90","","90","","90","","600.32","0.07","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.476","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119774","12.65365","0.0009","6.96095","0.00065","6.71431","0.00052","90","","90","","90","","591.41","0.08","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.60665","synchrotron","","","","","","","","","","0.217","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119793","12.0702","0.0007","16.4669","0.0009","37.181","0.002","90","","90","","90","","7390.1","0.7","143","2","143","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H51 Bi F3 N3 O4 S Si -","- C32 H51 Bi F3 N3 O4 S Si -","- C256 H408 Bi8 F24 N24 O32 S8 Si8 -","8","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0234","0.0177","","","0.0384","0.0401","","","","","","1.039","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119833","22.8044","0.0009","41.7897","0.0011","17.9753","0.0009","90","","90","","90","","17130.3","1.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H80 Co2 F24 N8 O8 P4 -","- C63 H68 Co2 F18 N8 O6 P3 -","- C504 H544 Co16 F144 N64 O48 P24 -","8","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.1545","0.1114","","","0.3037","0.3312","","","","","","0.986","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119858","20.971","0.0016","16.6536","0.0013","22.7371","0.0017","90","","90","","90","","7940.8","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Complex 2b","","","- C41 H54 F6 N3 Nb -","- C41 H54 F6 N3 Nb -","- C328 H432 F48 N24 Nb8 -","8","1","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0307","0.0263","","","0.0611","0.0651","","","","","","1.074","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119877","8.5441","0.0017","14.75","0.004","32.006","0.007","90","","90","","90","","4033.6","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0962","0.0653","","","0.1474","0.2077","","","","","","1.738","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119903","10.7756","0.0006","12.166","0.0007","25.4888","0.0016","90","","90","","90","","3341.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H28 B Cl N2 -","- C15 H28 B Cl N2 -","- C120 H224 B8 Cl8 N16 -","8","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0565","0.0403","","","0.094","0.1013","","","","","","1.05","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119922","15.2691","0.0004","14.7958","0.0004","45.4046","0.0011","90","","90","","90","","10257.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B Fe O4 P -","- C26 H36 B Fe O4 P -","- C416 H576 B16 Fe16 O64 P16 -","16","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0661","0.0439","","","0.0954","0.104","","","","","","1.139","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119933","17.5236","0.0005","18.1897","0.0006","20.2976","0.0003","90","","90","","90","","6469.8","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H34 B F10 P -","- C37 H34 B F10 P -","- C296 H272 B8 F80 P8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0597","0.0452","","","0.1057","0.1149","","","","","","1.028","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119936","16.4556","0.0007","16.7148","0.0006","24.6103","0.0008","90","","90","","90","","6769.1","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H32 B F10 O2 P S -","- C37 H32 B F10 O2 P S -","- C296 H256 B8 F80 O16 P8 S8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.1064","0.0572","","","0.1202","0.1444","","","","","","1.039","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4120018","8.3212","0.0003","22.1167","0.0008","29.02","0.0011","90","","90","","90","","5340.8","0.3","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Pr Si3 -","- C24 H39 Pr Si3 -","- C192 H312 Pr8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0213","0.0161","","","0.0366","0.0387","","","","","","1.03","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120019","8.2454","0.0005","22.2395","0.0014","28.8097","0.0019","90","","90","","90","","5282.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Gd Si3 -","- C24 H39 Gd Si3 -","- C192 H312 Gd8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0285","0.0191","","","0.0395","0.0426","","","","","","1.017","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120020","8.2228","0.0004","22.232","0.001","28.7772","0.0013","90","","90","","90","","5260.7","0.4","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tb -","- C24 H39 Si3 Tb -","- C192 H312 Si24 Tb8 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.028","0.0214","","","0.0415","0.0431","","","","","","1.172","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120072","18.7861","0.0017","16.3476","0.0015","34.614","0.003","90","","90","","90","","10630.2","1.7","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Ge Se2 -","- C60 H74 Ge Se2 -","- C480 H592 Ge8 Se16 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0371","0.0298","","","0.0709","0.073","","","","","","1.042","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120103","7.5545","0.0002","50.5515","0.0015","10.7005","0.0004","90","","90","","90","","4086.4","0.2","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 O -","- C30 H20 O -","- C240 H160 O8 -","8","1","","Jian Zhao; Kazuaki Oniwa; Naoki Asao; Yoshinori Yamamoto; Tienan Jin","Pd-Catalyzed Cascade Crossover Annulation of o-Alkynylarylhalides and Diarylacetylenes Leading to Dibenzo[a,e]pentalenes","Journal of the American Chemical Society","2013","135","","10222","10225","10.1021/ja403382d","","","0.71075","MoKα","","0.0899","0.0543","","","0.1241","0.1399","","","","","","1.079","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120189","9.5412","0.0002","15.319","0.0004","27.2286","0.0006","90","","90","","90","","3979.78","0.16","173","2","173","2","","","101","","","","","3","P b c a","-P 2ac 2ab","61","diphenyl(2,6-diisopropylphenyl)phosphine","diphenyl(2,6-diisopropylphenyl)phosphane(III)","","- C24 H27 P -","- C24 H27 P -","- C192 H216 P8 -","8","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.1024","0.0473","","","0.1071","0.1271","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120204","13.1554","0.001","22.5085","0.0017","33.078","0.003","90","","90","","90","","9794.7","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","3d","","","- C40 H50 B20 Co Fe2 O2 S4 -","- C40 H50 B20 Co Fe2 O2 S4 -","- C320 H400 B160 Co8 Fe16 O16 S32 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.084","0.049","","","0.1095","0.1256","","","","","","1.031","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120208","12.276","0.006","13.616","0.007","27.616","0.014","90","","90","","90","","4616","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5d","","","- C20 H26 B10 Fe O S -","- C20 H26 B10 Fe O S -","- C160 H208 B80 Fe8 O8 S8 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0719","0.0544","","","0.122","0.1275","","","","","","1.05","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120267","17.382","0.002","7.0482","0.0009","30.384","0.004","90","","90","","90","","3722.4","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C152 H208 N16 O16 -","8","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0754","0.0517","","","0.1272","0.1444","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120280","18.2032","0.0012","25.9028","0.0011","36.9447","0.0018","90","","90","","90","","17419.9","1.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H140 K O22 Si4 U -","- C67 H140 K O22 Si4 U -","- C536 H1120 K8 O176 Si32 U8 -","8","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1853","0.0729","","","0.1034","0.1384","","","","","","0.98","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120330","10.255","0.0006","15.159","0.0011","24.5615","0.0014","90","","90","","90","","3818.2","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Cl2 N2 O4 Si -","- C17 H18 Cl2 N2 O4 Si -","- C136 H144 Cl16 N16 O32 Si8 -","8","1","","Xingwei Guo; Herbert Mayr","Manifestation of Polar Reaction Pathways of 2,3-Dichloro-5,6-dicyano-p-benzoquinone","Journal of the American Chemical Society","2013","135","","12377","12387","10.1021/ja405890d","","","0.71073","MoKα","","0.0534","0.0365","","","0.0828","0.0935","","","","","","1.048","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120340","14.934","0.002","14.779","0.002","19.118","0.003","90","","90","","90","","4219.5","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl2 Ge N -","- C20 H31 Cl2 Ge N -","- C160 H248 Cl16 Ge8 N8 -","8","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0441","0.0381","","","0.0949","0.0977","","","","","","1.08","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120470","16.947","0.005","23.441","0.007","26.008","0.008","90","","90","","90","","10332","5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H84 O3 Si8 -","- C39 H84 O3 Si8 -","- C312 H672 O24 Si64 -","8","1","","Izumiseki, Atsuto; Yamamoto, Hisashi","Intermolecular/Intramolecular sequential aldol reaction.","Journal of the American Chemical Society","2014","136","4","1308","1311","10.1021/ja413008a","","","0.71075","MoKα","","","0.0763","","","","0.2277","","","","","","1.088","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120482","11.005","0.0003","9.2447","0.0003","34.6234","0.0008","90","","90","","90","","3522.51","0.17","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H25 N3 O5 Pt -","- C17 H25 N3 O5 Pt -","- C136 H200 N24 O40 Pt8 -","8","1","","Proetto, Maria T.; Rush, Anthony M.; Chien, Miao-Ping; Abellan Baeza, Patricia; Patterson, Joseph P.; Thompson, Matthew P.; Olson, Norman H.; Moore, Curtis E.; Rheingold, Arnold L.; Andolina, Christopher; Millstone, Jill; Howell, Stephen B.; Browning, Nigel D.; Evans, James E.; Gianneschi, Nathan C.","Dynamics of soft nanomaterials captured by transmission electron microscopy in liquid water.","Journal of the American Chemical Society","2014","136","4","1162","1165","10.1021/ja408513m","","x-ray","1.54178","CuKα","K-L~3~","0.0946","0.0745","","","0.1651","0.1731","","","","","","1.269","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120516","19.7846","0.0011","25.88","0.0014","26.6463","0.0013","90","","90","","90","","13643.6","1.3","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[CP3HFeN2]BArF","","","- C69 H66 B Cl0.12 F24 Fe N1.77 P3 -","- C69 H67 B Cl0.114 F24 Fe N1.772 P3 -","- C552 H536 B8 Cl0.912 F192 Fe8 N14.176 P24 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.1307","0.0832","","","0.2142","0.245","","","","","","1.021","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120519","13.2892","0.0012","18.1896","0.0017","18.2801","0.0017","90","","90","","90","","4418.8","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H28 Cl N4 Rh -","- C24 H28 Cl N4 Rh -","- C192 H224 Cl8 N32 Rh8 -","8","1","","Kim, Hyun Jin; Ajitha, Manjaly J.; Lee, Yongjae; Ryu, Jaeyune; Kim, Jin; Lee, Yunho; Jung, Yousung; Chang, Sukbok","Hydrogen-Bond-Assisted Controlled C-H Functionalization via Adaptive Recognition of a Purine Directing Group.","Journal of the American Chemical Society","2014","136","3","1132","1140","10.1021/ja4118472","","","0.71073","MoKα","","0.0759","0.0406","","","0.0913","0.1254","","","","","","1.177","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120525","18.7239","0.0006","14.7354","0.0005","20.3319","0.0008","90","","90","","90","","5609.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","nd190","","","- C28 H42 B Ga N2 -","- C28 H42 B Ga N2 -","- C224 H336 B8 Ga8 N16 -","8","1","","Dettenrieder, Nicole; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","A dimethylgallium boryl complex and its methyllithium addition compound.","Journal of the American Chemical Society","2014","136","3","886","889","10.1021/ja4117318","","","0.71073","MoKα","","0.0593","0.0475","","","0.099","0.1031","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120570","12.87","0.0012","9.8433","0.0009","28.98","0.003","90","","90","","90","","3671.3","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl F3 N3 O3 Pt S -","- C14 H15 Cl F3 N3 O3 Pt S -","- C112 H120 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Johnstone, Timothy C.; Lippard, Stephen J.","The chiral potential of phenanthriplatin and its influence on Guanine binding.","Journal of the American Chemical Society","2014","136","5","2126","2134","10.1021/ja4125115","","","0.71073","MoKα","","0.0284","0.0202","","","0.0398","0.0426","","","","","","1.116","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120670","29.4297","0.0007","24.1596","0.0006","31.8628","0.0009","90","","90","","90","","22654.8","1","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C148 H172 Ag2 Cu4 F30 Ir8 N16 O62 S10 -","- C146 H152 Ag2 Cu4 F24 Ir8 N16 O56 S8 -","- C584 H608 Ag8 Cu16 F96 Ir32 N64 O224 S32 -","4","0.5","","Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin","Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.","Journal of the American Chemical Society","2014","136","8","2982","","10.1021/ja412667t","","","1.54178","CuKα","","0.1009","0.0728","","","0.1942","0.2109","","","","","","1.065","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120703","17.919","0.002","15.3943","0.0015","9.6893","0.0012","90","","90","","90","","2672.8","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C104 H152 N24 O16 -","8","1","","Kim, Sung Kuk; Lim, Jong Min; Pradhan, Tuhin; Jung, Hyo Sung; Lynch, Vincent M.; Kim, Jong Seung; Kim, Dongho; Sessler, Jonathan L.","Self-association and nitroaromatic-induced deaggregation of pyrene substituted pyridine amides.","Journal of the American Chemical Society","2014","136","1","495","505","10.1021/ja411672f","","","0.71075","MoKα","","0.1167","0.0935","","","0.1839","0.1971","","","","","","1.115","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120755","13.9876","0.0001","21.0189","0.0002","25.6451","0.0002","90","","90","","90","","7539.76","0.11","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H54 Li2 N2 O Si2 -","- C36 H54 Li2 N2 O Si2 -","- C288 H432 Li16 N16 O8 Si16 -","8","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0561","0.0412","","","0.1091","0.1176","","","","","","1.078","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4120779","19.0012","0.0011","24.6026","0.0013","25.8588","0.0013","90","","90","","90","","12088.4","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H76 Cu N5 O2 -","- C62 H76 Cu N5 O2 -","- C496 H608 Cu8 N40 O16 -","8","1","","Joby Winn; Aleksandra Pinczewska; Stephen M. Goldup","Synthesis of a Rotaxane CuI Triazolide under Aqueous Conditions","Journal of the American Chemical Society","2013","135","","13318","13321","10.1021/ja407446c","","","1.54178","CuKα","","0.2245","0.2194","","","0.4507","0.4524","","","","","","1.073","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120797","15.394","0.009","11.4","0.007","23.46","0.014","90","","90","","90","","4117","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0631","0.0477","","","0.1332","0.1461","","","","","","1.046","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120800","18.05","0.003","10.4739","0.0017","20.8","0.003","90","","90","","90","","3932.3","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0655","0.0519","","","0.139","0.1497","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120840","11.65041","0.00018","14.6344","0.0002","28.0712","0.0005","90","","90","","90","","4786.05","0.13","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.0447","0.0364","","","0.0908","0.0948","","","","","","1.037","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120933","19.2322","0.0007","20.4284","0.0008","21.0029","0.0008","90","","90","","90","","8251.7","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Au Cl2 F6 N3 Sb -","- C38 H55 Au Cl2 F6 N3 Sb -","- C304 H440 Au8 Cl16 F48 N24 Sb8 -","8","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0434","0.032","","","0.0815","0.0884","","","","","","1.008","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120954","11.8394","0.0012","14.3974","0.0016","32.035","0.003","90","","90","","90","","5460.6","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tBuP2BHCoBH4","","","- C24 H49 B2 Co N2 P2 -","- C24 H49 B2 Co N2 P2 -","- C192 H392 B16 Co8 N16 P16 -","8","1","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.071","0.0442","","","0.1332","0.15","","","","","","1.013","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120984","19.29","0.0011","16.1824","0.0009","23.3891","0.0013","90","","90","","90","","7301.1","0.7","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H44 B2 F8 P2 Pd2 S -","- C34 H44 B2 F8 P2 Pd2 S -","- C272 H352 B16 F64 P16 Pd16 S8 -","8","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0418","0.0269","","","0.0624","0.0719","","","","","","1.06","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121048","15.1866","0.0009","14.0426","0.0008","26.4214","0.0015","90","","90","","90","","5634.6","0.6","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","jonyj27","","","- C23 H41 B N6 O0.26 P Rh Si -","- C23 H41 B N6 O0.256 P Rh Si -","- C184 H328 B8 N48 O2.048 P8 Rh8 Si8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0917","0.0466","","","0.095","0.1147","","","","","","1.006","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121050","16.8292","0.0009","13.9712","0.0008","21.4798","0.0012","90","","90","","90","","5050.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj30","","","- C21 H32 B F3 N6 P Rh -","- C21 H32 B F3 N6 P Rh -","- C168 H256 B8 F24 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0943","0.0551","","","0.1387","0.1662","","","","","","1.007","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121053","13.377","0.0018","13.806","0.0018","30.587","0.004","90","","90","","90","","5648.9","1.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj17","","","- C24 H42 B Br N6 P Rh -","- C24 H42 B Br N6 P Rh -","- C192 H336 B8 Br8 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0912","0.0436","","","0.0813","0.0954","","","","","","1.006","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121148","7.5228","0.0004","7.389","0.0004","22.608","0.0013","90","","90","","90","","1256.69","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 Mo N O3 -","- C5 H5 Mo N O3 -","- C40 H40 Mo8 N8 O24 -","8","1","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.7749","","","0.0506","0.0501","","","0.1256","0.1258","","","","","","1.387","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121162","20.923","0.002","14.1629","0.0014","22.317","0.002","90","","90","","90","","6613.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(BDI)ZnFp","","","- C36 H46 Fe N2 O2 Zn -","- C36 H46 Fe N2 O2 Zn -","- C288 H368 Fe8 N16 O16 Zn8 -","8","1","","Thomas J. Mazzacano; Neal P. Mankad","Base Metal Catalysts for Photochemical C-H Borylation That Utilize Metal-Metal Cooperativity","Journal of the American Chemical Society","2013","135","","17258","17261","10.1021/ja408861p","","","0.71073","MoKα","","0.0378","0.0286","","","0.0714","0.0766","","","","","","1.044","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121197","16.4518","0.0006","15.2154","0.0006","24.1031","0.0009","90","","90","","90","","6033.5","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H21 Cl4 Cr2 N O6 Pd -","- C29 H21 Cl4 Cr2 N O6 Pd -","- C232 H168 Cl32 Cr16 N8 O48 Pd8 -","8","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0658","0.0471","","","0.0876","0.0965","","","","","","1.152","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121274","16.4396","0.0003","17.2702","0.0003","23.2971","0.0005","90","","90","","90","","6614.4","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 B F10 O P -","- C38 H32 B F10 O P -","- C304 H256 B8 F80 O8 P8 -","8","1","","Muhammad Sajid; Arunlibertsen Lawzer; Weishi Dong; Christoph Rosorius; Wolfram Sander; Birgitta Schirmer; Stefan Grimme; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Carbonylation Reactions of Intramolecular Vicinal Frustrated Phosphane/Borane Lewis Pairs","Journal of the American Chemical Society","2013","135","","18567","18574","10.1021/ja408815k","","","1.54178","CuKα","","0.0418","0.0378","","","0.0947","0.0974","","","","","","1.031","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121285","20.346","0.002","15.4644","0.0016","23.164","0.002","90","","90","","90","","7288.3","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H55 N2 Ni Si2 -","- C34 H55 N2 Ni Si2 -","- C272 H440 N16 Ni8 Si16 -","8","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.0525","0.043","","","0.1126","0.1168","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121297","12.5259","0.0003","23.4672","0.0007","31.3977","0.0009","90","","90","","90","","9229.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H80 N4 Ni Si4 -","- C38 H80 N4 Ni Si4 -","- C304 H640 N32 Ni8 Si32 -","8","1","","Shigeyoshi Inoue; Carsten Eisenhut","A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride","Journal of the American Chemical Society","2013","135","","18315","18318","10.1021/ja410528y","","","1.54184","CuKα","","0.0396","0.032","","","0.0797","0.0849","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121542","14.5577","0.0004","22.5689","0.0007","27.0099","0.0008","90","","90","","90","","8874.1","0.5","147","2","147","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H51 Cl4 P3 Ru -","- C49 H51 Cl4 P3 Ru -","- C392 H408 Cl32 P24 Ru8 -","8","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Reactivity of Ruthenium Phosphido Species Generated through the Deprotonation of a Tripodal Phosphine Ligand and Implications for Hydrophosphination.","Journal of the American Chemical Society","2014","136","12","4746","4760","10.1021/ja5006724","","","1.54178","CuKα","","0.0289","0.026","","","0.0625","0.0641","","","","","","1.051","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121632","13.8171","0.0004","22.9181","0.0006","26.2263","0.0008","90","","90","","90","","8304.9","0.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Li2 N10 Si6 U2 -","- C66 H152 Li2 N10 Si6 U2 -","- C264 H608 Li8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.0566","0.0317","","","0.052","0.0578","","","","","","1.024","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121634","13.81027","0.00012","23.1784","0.0002","26.5707","0.0002","90","","90","","90","","8505.28","0.12","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0308","0.026","","","0.0605","0.063","","","","","","1.043","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121635","13.7768","0.0002","23.1164","0.0004","26.8905","0.0005","90","","90","","90","","8563.8","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 N10 Rb2 Si6 U2 -","- C66 H152 N10 Rb2 Si6 U2 -","- C264 H608 N40 Rb8 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","x-ray","1.54184","CuKα","","0.0752","0.0439","","","0.0948","0.1103","","","","","","1.013","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121636","13.8289","0.0005","22.9287","0.0009","27.1901","0.0013","90","","90","","90","","8621.4","0.6","120","","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H152 Cs2 N10 Si6 U2 -","- C66 H152 Cs2 N10 Si6 U2 -","- C264 H608 Cs8 N40 Si24 U8 -","4","0.5","","King, David M.; McMaster, Jonathan; Tuna, Floriana; McInnes, Eric J. L.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Synthesis and Characterization of an f-Block Terminal Parent Imido [U═NH] Complex: A Masked Uranium(IV) Nitride.","Journal of the American Chemical Society","2014","136","15","5619","","10.1021/ja502405e","","","0.71073","MoKα","","0.133","0.1154","","","0.2195","0.2274","","","","","","1.224","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121753","10.1031","0.0007","7.7315","0.0005","18.6457","0.0012","90","","90","","90","","1456.46","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","RR unknown","","","- C7 H8 Cl N O -","- C7 H8 Cl N O -","- C56 H64 Cl8 N8 O8 -","8","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","1.54178","CuKα","","0.0295","0.0291","","","0.0837","0.084","","","","","","1.055","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121766","27.8747","0.0004","13.78762","0.00017","45.415","0.0005","90","","90","","90","","17454.2","0.4","90","0.1","90","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.1 H41.53 I6 N14.07 O3.23 Pd S1.8 Zn3 -","- C60.0996 H41.533 I6 N14.0666 O3.2332 Pd S1.8 Zn3 -","- C480.797 H332.264 I48 N112.533 O25.8656 Pd8 S14.4 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0717","0.0616","","","0.1835","0.1917","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121767","27.6775","0.0009","13.7981","0.0003","44.3415","0.0011","90","","90","","90","","16933.9","0.8","90","0.1","90","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C53.2 H37.4 Br I6 N14.6 Pd Zn3 -","- C425.6 H299.2 Br8 I48 N116.8 Pd8 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.1865","0.1278","","","0.3569","0.387","","","","","","1.249","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121768","27.5504","0.0003","13.8353","0.00019","44.5398","0.0006","90","","90","","90","","16977.1","0.4","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C52.15 H33.5 Br I6 N12.95 Zn3 -","- C417.2 H268 Br8 I48 N103.6 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.0894","0.0825","","","0.2713","0.2791","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121769","27.774","0.003","13.8933","0.0016","44.585","0.005","90","","90","","90","","17204","3","90","2","90","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60.19 H44.78 I6 N15.59 O Pd S2 Zn3 -","- C60.1859 H44.7804 I6 N15.5938 O0.9999 Pd0.9999 S1.9998 Zn3 -","- C481.487 H358.243 I48 N124.75 O7.9992 Pd7.9992 S15.9984 Zn24 -","8","1","","Ikemoto, Koki; Inokuma, Yasuhide; Rissanen, Kari; Fujita, Makoto","X-ray Snapshot Observation of Palladium-Mediated Aromatic Bromination in a Porous Complex.","Journal of the American Chemical Society","2014","136","19","6892","6895","10.1021/ja502996h","","","0.71073","MoKα","","0.113","0.0754","","","0.1915","0.2142","","","","","","0.874","","","","has coordinates,has disorder","179019","2020-10-21","18:00:00",""
"4121771","15.1843","0.0012","12.3918","0.0009","27.434","0.002","90","","90","","90","","5162","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H45 Cl2 N2 P2 Re -","- C20 H45 Cl2 N2 P2 Re -","- C160 H360 Cl16 N16 P16 Re8 -","8","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0604","0.0329","","","0.0518","0.0593","","","","","","1.05","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121903","12.7335","0.0002","19.3738","0.0002","31.7858","0.0004","90","","90","","90","","7841.44","0.18","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H36 Cl2 Cu N4 O6 -","- C45 H36 Cl2 Cu N4 O6 -","- C360 H288 Cl16 Cu8 N32 O48 -","8","1","","Allpress, Caleb J.; Miłaczewska, Anna; Borowski, Tomasz; Bennett, Jami R.; Tierney, David L.; Arif, Atta M.; Berreau, Lisa M.","Halide-Promoted Dioxygenolysis of a Carbon-Carbon Bond by a Copper(II) Diketonate Complex.","Journal of the American Chemical Society","2014","136","22","7821","","10.1021/ja502577b","","","0.71073","MoKα","","0.0729","0.0396","","","0.0882","0.1008","","","","","","1.011","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121973","17.9675","0.0015","17.8594","0.0015","16.2715","0.0013","90","","90","","90","","5221.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C64 H76 N4 Yb2 -","- C64 H76 N4 Yb2 -","- C256 H304 N16 Yb8 -","4","0.5","","Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.","Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.","Journal of the American Chemical Society","2014","136","24","8626","8641","10.1021/ja502271q","","x-ray","0.71073","MoKα","","0.0563","0.0344","","","0.0783","0.0855","","","","","","1.003","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121977","10.9776","0.0003","9.9868","0.0003","28.5806","0.0008","90","","90","","90","","3133.32","0.15","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0339","0.0324","","","0.0803","0.0814","","","","","","1.054","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122075","12.9728","0.0019","34.25","0.006","15.554","0.002","90","","90","","90","","6910.9","1.8","113.15","","113.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H55 Al2 Cl3 Si2 -","- C27 H55 Al2 Cl3 Si2 -","- C216 H440 Al16 Cl24 Si16 -","8","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","An anionic aluminabenzene bearing aromatic and ambiphilic contributions.","Journal of the American Chemical Society","2014","136","26","9276","9279","10.1021/ja504771d","","","0.71075","MoKα","","0.0698","0.0544","","","0.1087","0.1157","","","","","","1.117","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122172","16.4902","0.0011","15.3364","0.001","17.0776","0.0011","90","","90","","90","","4318.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_3b","cmpd_trans_3b","","- C46 H68 N6 Ta2 -","- C46 H68 N6 Ta2 -","- C184 H272 N24 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0211","0.0152","","","0.0297","0.0311","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122176","16.5274","0.0018","15.3353","0.0017","17.172","0.0019","90","","90","","90","","4352.3","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cmpd_trans_4b","cmpd_trans_4b","","- C46 H68 N6 Nb2 -","- C46 H68 N6 Nb2 -","- C184 H272 N24 Nb8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0311","0.0234","","","0.0496","0.0533","","","","","","1","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122261","11.9905","0.0019","15.728","0.002","16.06","0.003","90","","90","","90","","3028.7","0.8","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Crisenza, Giacomo E. M.; McCreanor, Niall G.; Bower, John F.","Branch-Selective, Iridium-Catalyzed Hydroarylation of Monosubstituted Alkenes via a Cooperative Destabilization Strategy.","Journal of the American Chemical Society","2014","136","29","10258","10261","10.1021/ja505776m","","","1.54178","CuKα","","0.039","0.0374","","","0.0993","0.101","","","","","","1.01","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122264","13.941","0.004","14.762","0.004","30.916","0.009","90","","90","","90","","6362","3","93","","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H37 Cl Ge N2 O4 -","- C37 H37 Cl Ge N2 O4 -","- C296 H296 Cl8 Ge8 N16 O32 -","8","1","","Ohkawara, Takahiro; Suzuki, Kohei; Nakano, Koji; Mori, Seiji; Nozaki, Kyoko","Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.","Journal of the American Chemical Society","2014","136","30","10728","10735","10.1021/ja5046814","","","0.71075","MoKα","","0.0777","0.0754","","","0.1218","0.1229","","","","","","1.328","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122284","11.7278","0.0005","18.4783","0.0008","23.7323","0.0011","90","","90","","90","","5143","0.4","143","1","143","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H22 N4 O2 -","- C34 H22 N4 O2 -","- C272 H176 N32 O16 -","8","1","","Metz, Alison E.; Podlesny, Erin E.; Carroll, Patrick J.; Klinghoffer, Ariel N.; Kozlowski, Marisa C.","Axial Chiral Bisbenzophenazines: Solid-State Self-Assembly via Halide Hydrogen Bonds Triggered by Linear Alkanes.","Journal of the American Chemical Society","2014","136","30","10601","10604","10.1021/ja506137j","","","0.71073","MoKα","","0.0443","0.0334","","","0.0824","0.0906","","","","","","1.039","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122320","12.601","0.003","16.923","0.003","20.807","0.004","90","","90","","90","","4437","1.6","12","2","12","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","diaryltellurium acetimidate","","","- C26 H27 N3 O Te -","- C26 H27 N3 O Te -","- C208 H216 N24 O8 Te8 -","8","1","","Mallow, Ole; Bolsinger, Jens; Finke, Pamela; Hesse, Malte; Chen, Yu-Sheng; Duthie, Andrew; Grabowsky, Simon; Luger, Peter; Mebs, Stefan; Beckmann, Jens","Oxygen Transfer from an Intramolecularly Coordinated Diaryltellurium Oxide to Acetonitrile. Formation and Combined AIM and ELI-D Analysis of a Novel Diaryltellurium Acetimidate.","Journal of the American Chemical Society","2014","136","31","10870","10873","10.1021/ja505648x","","","0.4133","synchrotron","","0.066","0.034","","","0.072","0.072","0.052","","","","","1.092","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122381","9.3288","0.0005","8.9949","0.0004","27.023","0.0013","90","","90","","90","","2267.54","0.19","173","","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C96 H112 N32 -","8","1","","Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J.","Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives.","Journal of the American Chemical Society","2014","136","34","11878","","10.1021/ja505444d","","","0.71073","MoKα","","0.0599","0.0457","","","0.1032","0.1114","","","","","","1.044","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122393","19.9148","0.0009","16.3924","0.0007","19.9502","0.0009","90","","90","","90","","6512.8","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72 H62 N2 O12 P8 -","- C72 H62 N2 O12 P8 -","- C288 H248 N8 O48 P32 -","4","0.5","","Jiang, Yanfeng; Chakarawet, Khetpakorn; Kohout, Andrea Laura; Nava, Matthew; Marino, Nadia; Cummins, Christopher C.","Dihydrogen Tetrametaphosphate, [P4O12H2](2-): Synthesis, Solubilization in Organic Media, Preparation of its Anhydride [P4O11](2-) and Acidic Methyl Ester, and Conversion to Tetrametaphosphate Metal Complexes via Protonolysis.","Journal of the American Chemical Society","2014","136","34","11894","11897","10.1021/ja5058339","","","0.71073","MoKα","","0.0465","0.0371","","","0.097","0.1039","","","","","","1.042","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122563","12.015","0.004","7.631","0.003","31.475","0.011","90","","90","","90","","2885.8","1.8","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.1225","0.0931","","","0.1935","0.204","","","","","","1.182","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4122591","9.8979","0.0012","16.1975","0.0017","21.268","0.002","90","","90","","90","","3409.7","0.6","100","","100.01","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C208 H128 O16 -","8","1","","Schweinfurth, David; Zalibera, Michal; Kathan, Michael; Shen, Chengshuo; Mazzolini, Marcella; Trapp, Nils; Crassous, Jeanne; Gescheidt, Georg; Diederich, François","Helicene quinones: redox-triggered chiroptical switching and chiral recognition of the semiquinone radical anion lithium salt by electron nuclear double resonance spectroscopy.","Journal of the American Chemical Society","2014","136","37","13045","13052","10.1021/ja5069323","","x-ray","1.54178","CuKα","","0.0938","0.085","","","0.2329","0.2393","","","","","","1.068","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122624","11.6572","0.0004","14.3769","0.0005","31.9983","0.0012","90","","90","","90","","5362.7","0.3","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","5_(tBuPBP)NiCl","","","- C24 H44 B Cl N2 Ni P2 -","- C24 H44 B Cl N2 Ni P2 -","- C192 H352 B8 Cl8 N16 Ni8 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.0302","0.0276","","","0.0721","0.0739","","","","","","1.006","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122627","12.0755","0.0018","14.717","0.002","31.911","0.004","90","","90","","90","","5671.1","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","8_(tBuPBP)NiOC(H)O","","","- C25 H45 B N2 Ni O2 P2 -","- C25 H45 B N2 Ni O2 P2 -","- C200 H360 B8 N16 Ni8 O16 P16 -","8","1","","Lin, Tzu-Pin; Peters, Jonas C.","Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation.","Journal of the American Chemical Society","2014","136","39","13672","13683","10.1021/ja504667f","","","0.71073","MoKα","","0.1114","0.054","","","0.0991","0.1189","","","","","","1.021","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122642","15.716","0.003","19.409","0.004","20.207","0.004","90","","90","","90","","6164","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H25 B F4 Mo O3 P2 -","- C36 H25 B F4 Mo O3 P2 -","- C288 H200 B8 F32 Mo8 O24 P16 -","8","1","","Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.","A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.","Journal of the American Chemical Society","2014","136","39","13586","13589","10.1021/ja507922x","","","0.71073","MoKα","","0.0377","0.0335","","","0.087","0.0902","","","","","","1.101","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122645","17.888","0.003","9.4477","0.0014","18.022","0.003","90","","90","","90","","3045.7","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C112 H168 N8 O16 S8 -","8","1","","Shigehisa, Hiroki; Koseki, Natsumi; Shimizu, Nao; Fujisawa, Mayu; Niitsu, Makoto; Hiroya, Kou","Catalytic hydroamination of unactivated olefins using a co catalyst for complex molecule synthesis.","Journal of the American Chemical Society","2014","136","39","13534","13537","10.1021/ja507295u","","","0.71073","MoKα","","0.0491","0.0407","","","0.1119","0.1205","","","","","","0.939","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122693","21.7599","0.0004","14.356","0.0002","21.8626","0.0004","90","","90","","90","","6829.6","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H51 N5 Si -","- C36 H51 N5 Si -","- C288 H408 N40 Si8 -","8","1","","Hansen, Kerstin; Szilvási, Tibor; Blom, Burgert; Driess, Matthias","An Amplified Ylidic ""Half-Parent"" Iminosilane LSi═NH.","Journal of the American Chemical Society","2014","136","40","14207","","10.1021/ja507785z","","","1.54184","CuKα","","0.0673","0.0468","","","0.1099","0.1235","","","","","","1.028","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122703","8.9767","0.0003","9.9161","0.0003","27.7083","0.0019","90","","90","","90","","2466.4","0.2","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C112 H136 N8 O16 -","8","1","","Romney, David K.; Colvin, Sean M.; Miller, Scott J.","Catalyst Control over Regio- and Enantioselectivity in Baeyer-Villiger Oxidations of Functionalized Ketones.","Journal of the American Chemical Society","2014","136","40","14019","","10.1021/ja508757g","","","1.54187","CuKα","","0.1079","0.0549","","","0.1313","0.154","","","","","","0.924","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122751","18.1015","0.0009","18.1158","0.0009","23.999","0.0012","90","","90","","90","","7869.8","0.7","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Fe2 N2 O4 P2 S2 -","- C39 H42 Fe2 N2 O4 P2 S2 -","- C312 H336 Fe16 N16 O32 P16 S16 -","8","1","","Zheng, Dehua; Wang, Ning; Wang, Mei; Ding, Shengda; Ma, Chengbing; Darensbourg, Marcetta Y.; Hall, Michael B.; Sun, Licheng","Intramolecular Iron-Mediated C-H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model.","Journal of the American Chemical Society","2014","","","141007112505006","","10.1021/ja5078014","","x-ray","0.71073","MoKα","","0.102","0.0472","","","0.0937","0.1122","","","","","","0.991","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4122765","11.708","0.001","15.342","0.001","34.461","0.002","90","","90","","90","","6190","0.8","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C25 H25 Ag Cl2 F4 N4 O3 S2 -","- C200 H200 Ag8 Cl16 F32 N32 O24 S16 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.0616","0.0462","","","0.1288","0.141","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122767","22.444","0.001","20.464","0.001","28.423","0.001","90","","90","","90","","13054.5","1","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C58 H56 Ag2 Cl4 F6 N8 O6 S4 -","- C464 H448 Ag16 Cl32 F48 N64 O48 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1354","0.0515","","","0.0834","0.0969","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122771","21.775","0.001","21.08","0.001","27.323","0.002","90","","90","","90","","12541.7","1.2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C51 H54.5 Ag2 F6 N8 O6.25 S4 -","- C408 H436 Ag16 F48 N64 O50 S32 -","8","1","","Bassanetti, Irene; Comotti, Angiolina; Sozzani, Piero; Bracco, Silvia; Calestani, Gianluca; Mezzadri, Francesco; Marchiò, Luciano","Porous molecular crystals by macrocyclic coordination supramolecules.","Journal of the American Chemical Society","2014","136","42","14883","14895","10.1021/ja507555j","","","0.71073","MoKα","","0.1343","0.0555","","","0.1049","0.1258","","","","","","1.003","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122847","7.7043","0.0009","15.9073","0.0019","15.9426","0.0019","90","","90","","90","","1953.8","0.4","230","2","230","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N3 -","- C10 H13 N3 -","- C80 H104 N24 -","8","1","","Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler","Ylidenemalononitrile enamines as fluorescent ""turn-on"" indicators for primary amines.","Journal of the American Chemical Society","2014","136","44","15493","15496","10.1021/ja509058u","","","0.71073","MoKα","","0.0493","0.0409","","","0.1143","0.1231","","","","","","1.011","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122855","14.73","0.0002","17.6322","0.0002","26.2218","0.0004","90","","90","","90","","6810.39","0.16","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H41 B Cr N2 O6 -","- C34 H41 B Cr N2 O6 -","- C272 H328 B8 Cr8 N16 O48 -","8","1","","Frank, René; Howell, James; Tirfoin, Rémi; Dange, Deepak; Jones, Cameron; Mingos, D Michael P; Aldridge, Simon","Circumventing redox chemistry: synthesis of transition metal boryl complexes from a boryl nucleophile by decarbonylation.","Journal of the American Chemical Society","2014","136","44","15730","15741","10.1021/ja508979x","","","1.5418","CuKα","","0.0419","0.0377","","0.0959","0.0934","0.0959","","","","","","1.0121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123002","20.3534","0.001","8.3596","0.0005","22.6457","0.0011","90","","90","","90","","3853.1","0.4","122","1","122","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H38 O8 S4 Si2 -","- C34 H38 O8 S4 Si2 -","- C136 H152 O32 S16 Si8 -","4","0.5","","Parker, Christian R.; Leary, Edmund; Frisenda, Riccardo; Wei, Zhongming; Jennum, Karsten S.; Glibstrup, Emil; Abrahamsen, Peter Bæch; Santella, Marco; Christensen, Mikkel A.; Della Pia, Eduardo Antonio; Li, Tao; Gonzalez, Maria Teresa; Jiang, Xingbin; Morsing, Thorbjørn J; Rubio-Bollinger, Gabino; Laursen, Bo W.; Nørgaard, Kasper; van der Zant, Herre; Agrait, Nicolas; Nielsen, Mogens Brøndsted","A Comprehensive Study of Extended Tetrathiafulvalene Cruciform Molecules for Molecular Electronics: Synthesis and Electrical Transport Measurements.","Journal of the American Chemical Society","2014","","","141117163359006","","10.1021/ja509937k","","","0.71073","MoKα","","0.075","0.0426","","","0.0856","0.0981","","","","","","1.0426","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123020","19.2399","0.0015","16.7691","0.0013","24.62","0.002","90","","90","","90","","7943.3","1.1","15","","15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H35 Co4 F6 N5 O12 P -","- C30 H35 Co4 F6 N5 O12 P -","- C240 H280 Co32 F48 N40 O96 P8 -","8","1","","Ullman, Andrew M.; Liu, Yi; Huynh, Michael; Bediako, D. Kwabena; Wang, Hongsen; Anderson, Bryce L.; Powers, David C.; Breen, John J.; Abruña, Héctor D; Nocera, Daniel G.","Water Oxidation Catalysis by Co(II) Impurities in Co(III)4O4 Cubanes.","Journal of the American Chemical Society","2014","","","141204115603004","","10.1021/ja5110393","","","0.41328","synchrotron","","0.0527","0.0336","","","0.0931","0.1187","","","","","","1.211","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4123022","14.4321","0.0004","23.909","0.0006","25.8489","0.0007","90","","90","","90","","8919.3","0.4","104","2","104","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H61 F3 N8 O6 S Zn -","- C41 H61 F3 N8 O6 S Zn -","- C328 H488 F24 N64 O48 S8 Zn8 -","8","1","","Matson, Ellen M.; Park, Yun Ji; Fout, Alison R.","Facile Nitrite Reduction in a Non-heme Iron System: Formation of an Iron(III)-Oxo.","Journal of the American Chemical Society","2014","","","141203122255000","","10.1021/ja510615p","","","0.71073","MoKα","","0.0747","0.0547","","","0.1346","0.151","","","","","","1.034","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123078","7.002","0.003","12.529","0.004","32.212","0.011","90","","90","","90","","2825.9","1.8","183","2","183","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Cl2 N3 P -","- C14 H14 Cl2 N3 P -","- C112 H112 Cl16 N24 P8 -","8","1","","Zhao, Wei; McCarthy, Sean M.; Lai, Ting Yi; Yennawar, Hemant P.; Radosevich, Alexander T.","Reversible Intermolecular E-H Oxidative Addition to a Geometrically Deformed and Structurally Dynamic Phosphorous Triamide.","Journal of the American Chemical Society","2014","","","141203102325001","","10.1021/ja510558d","","","0.71073","MoKα","","0.0465","0.042","","","0.103","0.1056","","","","","","1.112","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123131","8.1887","0.0005","10.9033","0.0008","40.705","0.003","90","","90","","90","","3634.3","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 B F2 N2 -","- C22 H19 B F2 N2 -","- C176 H152 B8 F16 N16 -","8","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.1168","0.0677","","","0.1209","0.1385","","","","","","1.057","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123144","13.9306","0.0016","21.573","0.002","41.331","0.006","90","","90","","90","","12421","3","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C52 H78 Eu2 F12 N12 O13 P2 -","- C52 H78 Eu2 F12 N12 O13 P2 -","- C416 H624 Eu16 F96 N96 O104 P16 -","8","1","","Rodríguez-Rodríguez, Aurora; Esteban-Gómez, David; Tripier, Raphaël; Tircsó, Gyula; Garda, Zoltán; Tóth, Imre; de Blas, Andrés; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos","Lanthanide(III) Complexes with a Reinforced Cyclam Ligand Show Unprecedented Kinetic Inertness.","Journal of the American Chemical Society","2014","","","141219122522002","","10.1021/ja511331n","","x-ray","0.71073","MoKα","","0.1143","0.0671","","","0.1271","0.1451","","","","","","1.018","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123167","8.2638","0.0005","22.1867","0.0013","28.8754","0.0017","90","","90","","90","","5294.2","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0288","0.0192","","","0.0394","0.043","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123169","8.261","0.0005","22.2572","0.0014","28.8301","0.0018","90","","90","","90","","5300.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Eu Si3 -","- C24 H39 Eu Si3 -","- C192 H312 Eu8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0292","0.0216","","","0.0522","0.0577","","","","","","1.086","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123171","8.2129","0.0005","22.2848","0.0014","28.7133","0.0018","90","","90","","90","","5255.2","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Dy Si3 -","- C24 H39 Dy Si3 -","- C192 H312 Dy8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0264","0.0202","","","0.0457","0.0484","","","","","","1.055","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123173","8.2012","0.0003","22.4085","0.0008","28.6584","0.001","90","","90","","90","","5266.7","0.3","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tm -","- C24 H39 Si3 Tm -","- C192 H312 Si24 Tm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0313","0.0205","","","0.0423","0.0457","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123175","8.1548","0.0008","22.333","0.002","28.58","0.003","90","","90","","90","","5205","0.9","138","2","138","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Yb -","- C24 H39 Si3 Yb -","- C192 H312 Si24 Yb8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0263","0.0211","","","0.0487","0.051","","","","","","1.044","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123252","14.428","0.009","14.478","0.009","17.101","0.011","90","","90","","90","","3572","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0755","0.0554","","","0.1101","0.1189","","","","","","1.068","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123253","13.9808","0.0005","14.997","0.0005","17.3046","0.0006","90","","90","","90","","3628.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C184 H160 N16 O8 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0974","0.0641","","","0.1501","0.1628","","","","","","1.178","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123303","9.0641","0.0007","8.8761","0.0005","42.95","0.003","90","","90","","90","","3455.5","0.4","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O -","- C21 H19 N O -","- C168 H152 N8 O8 -","8","1","","Wang, Min; Zhang, Xiang; Zhuang, Yu-Xuan; Xu, Yun-He; Loh, Teck-Peng","Pd-Catalyzed Intramolecular C-N Bond Cleavage, 1,4-Migration, sp(3) C-H Activation, and Heck Reaction: Four Controllable Diverse Pathways Depending on the Judicious Choice of the Base and Ligand.","Journal of the American Chemical Society","2015","","","150115112743003","","10.1021/ja512212x","","","0.71073","MoKα","","0.1436","0.0765","","","0.1345","0.1619","","","","","","1.061","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123316","15.87898","0.00018","10.13462","0.00011","25.6111","0.0003","90","","90","","90","","4121.53","0.08","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","x-ray","1.54184","CuKα","","0.0507","0.0488","","","0.12","0.1214","","","","","","1.09","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123322","13.372","0.003","29.829","0.008","26.681","0.007","90","","90","","90","","10642","5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H60 Cr O3 -","- C67 H60 Cr O3 -","- C536 H480 Cr8 O24 -","8","1","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.1622","0.1343","","","0.3042","0.3221","","","","","","1.271","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123331","17.079","0.002","18.335","0.002","24.196","0.003","90","","90","","90","","7576.8","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Cl2 N P Si -","- C38 H58 Cl2 N P Si -","- C304 H464 Cl16 N8 P8 Si8 -","8","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.079","0.0408","","","0.0765","0.0904","","","","","","1.004","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123354","29.1112","0.0013","22.9424","0.001","32.0414","0.0012","90","","90","","90","","21399.8","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C120 H150 N6 O12 P4 -","- C120 H150 N6 O12 P4 -","- C960 H1200 N48 O96 P32 -","8","1","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.1404","0.0992","","","0.2579","0.2917","","","","","","1.06","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123412","15.5412","0.0005","16.1059","0.0005","24.1122","0.0008","90","","90","","90","","6035.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl Ir O P2 S2 -","- C29 H38 Cl Ir O P2 S2 -","- C232 H304 Cl8 Ir8 O8 P16 S16 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0925","0.0652","","","0.1422","0.1586","","","","","","1.1","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123519","12.8176","0.0006","15.0569","0.0007","22.1137","0.0011","90","","90","","90","","4267.8","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 I2 N2 P2 -","- C48 H50 I2 N2 P2 -","- C192 H200 I8 N8 P8 -","4","0.5","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin","Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?","Journal of the American Chemical Society","2015","","","150316134803000","","10.1021/jacs.5b00959","","","0.71073","MoKα","","0.1206","0.0488","","","0.0871","0.1148","","","","","","1.011","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123538","14.856","0.0006","14.9335","0.0006","30.0265","0.0011","90","","90","","90","","6661.4","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(PPP)Ni(OCOOMe)","","","- C33 H47 Ni O3 P3 -","- C33 H47 Ni O3 P3 -","- C264 H376 Ni8 O24 P24 -","8","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0855","0.0404","","","0.0921","0.1213","","","","","","1.121","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123563","16.2284","0.0006","18.9794","0.0008","21.5049","0.0008","90","","90","","90","","6623.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H58 B F4 Ni -","- C34 H58 B F4 Ni -","- C272 H464 B8 F32 Ni8 -","8","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0886","0.0435","","","0.0839","0.1019","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123664","18.3311","0.0008","15.7359","0.0007","23.3815","0.001","90","","90","","90","","6744.5","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H39 Cl F6 N2 O2 W -","- C35 H39 Cl F6 N2 O2 W -","- C280 H312 Cl8 F48 N16 O16 W8 -","8","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0941","0.0403","","","0.0639","0.071","","","","","","1.033","","","","has coordinates","138246","2020-10-21","18:00:00",""
"4123686","16.0574","0.0005","19.2846","0.0005","25.5466","0.0007","90","","90","","90","","7910.8","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H46 O P2 Pd Si -","- C44 H46 O P2 Pd Si -","- C352 H368 O8 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.1202","0.0428","","","0.0683","0.0903","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123700","11.9851","0.0019","16.023","0.003","26.249","0.004","90","","90","","90","","5040.8","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Cu N6 O7 -","- C21 H40 Cu N6 O7 -","- C168 H320 Cu8 N48 O56 -","8","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.7107","MoKα","","0.0932","0.0701","","","0.1342","0.1421","","","","","","1.321","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123760","11.7242","0.0002","8.21002","0.0001","46.3771","0.0009","90","","90","","90","","4464.07","0.13","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O S3 -","- C27 H18 N2 O S3 -","- C216 H144 N16 O8 S24 -","8","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.0472","","","","0.1038","","","","","","1.083","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123876","9.5558","0.0008","16.3412","0.0013","20.4336","0.0016","90","","90","","90","","3190.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VLIII-051B1","sarpong105","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C144 H152 N8 O24 S8 -","8","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","0.71073","MoKα","","0.0446","0.0413","","","0.0957","0.0979","","","","","","1.2","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124156","13.5872","0.0004","13.6524","0.0004","44.1111","0.0012","90","","90","","90","","8182.5","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C224 H432 B160 N16 Si16 -","16","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1247","0.0787","","","0.1842","0.2068","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124297","10.29093","0.00013","18.577","0.0003","31.942","0.0004","90","","90","","90","","6106.5","0.15","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H48 B F4 O3 P Ru -","- C28 H48 B F4 O3 P Ru -","- C224 H384 B8 F32 O24 P8 Ru8 -","8","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.0443","0.0404","","","0.0943","0.0966","","","","","","1.093","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124407","18.8781","0.0009","12.1056","0.0005","21.2885","0.0009","90","","90","","90","","4865.1","0.4","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 B O6 -","- C27 H33 B O6 -","- C216 H264 B8 O48 -","8","1","","Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.","Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.","Journal of the American Chemical Society","2015","","","150811140748006","","10.1021/jacs.5b06745","","","0.71073","MoKα","","0.084","0.045","","","0.0943","0.111","","","","","","1.009","","","","has coordinates","154285","2020-10-21","18:00:00",""
"4124555","19.345","0.005","16.662","0.005","24.699","0.005","90","0.005","90","0.005","90","0.005","7961","4","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C232 H272 Cl16 Co32 F48 N32 O96 P8 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0844","0.0569","","","0.1474","0.1686","","","","","","1.028","","","","has coordinates","170079","2020-10-21","18:00:00",""
"4125112","10.5978","0.0004","10.4507","0.0004","27.0588","0.001","90","","90","","90","","2996.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C112 H168 N24 O8 S8 -","8","1","","Howe, Ethan N. W.; Busschaert, Nathalie; Wu, Xin; Berry, Stuart N.; Ho, Junming; Light, Mark E.; Czech, Dawid D.; Klein, Harry A.; Kitchen, Jonathan A.; Gale, Philip A.","pH-Regulated Nonelectrogenic Anion Transport by Phenylthiosemicarbazones.","Journal of the American Chemical Society","2016","138","26","8301","8308","10.1021/jacs.6b04656","","x-ray","0.71073","MoKα","","0.0509","0.04","","","0.1021","0.1088","","","","","","1.001","","","","has coordinates","187899","2020-10-21","18:00:00",""
"4125127","13.0319","0.0016","12.8304","0.0015","23.089","0.003","90","","90","","90","","3860.6","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O P -","- C22 H28 N O P -","- C176 H224 N8 O8 P8 -","8","1","","Yang, Youqing; Li, Ruirui; Zhao, Yue; Zhao, Dongbing; Shi, Zhuangzhi","Cu-Catalyzed Direct C6-Arylation of Indoles.","Journal of the American Chemical Society","2016","138","28","8734","8737","10.1021/jacs.6b05777","","","0.71073","MoKα","","0.0414","0.0371","","","0.096","0.0989","","","","","","1.06","","","","has coordinates","187926","2020-10-21","18:00:00",""
"4125152","12.862","0.0012","12.2276","0.0009","13.0826","0.0011","90","","90","","90","","2057.5","0.3","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H11 B10 N -","- C3 H11 B10 N -","- C24 H88 B80 N8 -","8","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0897","0.0529","","","0.1329","0.1567","","","","","","1.024","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125154","12.5493","0.0003","13.4359","0.0003","24.2837","0.0007","90","","90","","90","","4094.5","0.18","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 Br O -","- C2 H11 B10 Br O -","- C32 H176 B160 Br16 O16 -","16","2","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","","0.71073","MoKα","","0.0669","0.0376","","","0.0742","0.0815","","","","","","1.017","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125231","9.086","0.006","11.473","0.008","19.916","0.013","90","","90","","90","","2076","2","343","2","343","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Cl2 D2 N2 O4 -","- C20 H20 Cl2 D2 N2 O4 -","- C80 H80 Cl8 D8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1325","0.0589","","","0.145","0.1804","","","","","","0.822","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125234","9.083","0.007","11.433","0.009","19.797","0.018","90","","90","","90","","2056","3","338","2","338","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 Cl2 N2 O4 -","- C20 H22 Cl2 N2 O4 -","- C80 H88 Cl8 N8 O16 -","4","0.5","","Yao, Zi-Shuo; Yamamoto, Kaoru; Cai, Hong-Ling; Takahashi, Kazuyuki; Sato, Osamu","Above Room Temperature Organic Ferroelectrics: Diprotonated 1,4-Diazabicyclo[2.2.2]octane Shifts between Two 2-Chlorobenzoates.","Journal of the American Chemical Society","2016","138","37","12005","12008","10.1021/jacs.6b03747","","","0.71075","MoKα","","0.1198","0.0701","","","0.1754","0.2032","","","","","","1.13","","","","has coordinates,has disorder","187917","2020-10-21","18:00:00",""
"4125270","22.8897","0.0002","15.1701","0.0001","24.7223","0.0002","90","","90","","90","","8584.55","0.12","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H50 Cl2 F N7 O3 -","- C44 H50 Cl2 F N7 O3 -","- C352 H400 Cl16 F8 N56 O24 -","8","1","","Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique","Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power.","Journal of the American Chemical Society","2016","138","40","13314","","10.1021/jacs.6b07501","","","1.5418","CuKα","","0.0598","0.0518","","0.1536","0.1457","0.1528","","","","","","0.9797","","","","has coordinates","187929","2020-10-21","18:00:00",""
"4125381","20.116","0.006","16.403","0.003","23.728","0.006","90","","90","","90","","7829","3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H38 B Cl2 F10 O2 P -","- C39 H38 B Cl2 F10 O2 P -","- C312 H304 B8 Cl16 F80 O16 P8 -","8","1","","Longobardi, Lauren E.; Zatsepin, Pavel; Korol, Roman; Liu, Lei; Grimme, Stefan; Stephan, Douglas W.","Reactions of Boron-Derived Radicals with Nucleophiles.","Journal of the American Chemical Society","2017","139","1","426","435","10.1021/jacs.6b11190","","","0.71073","MoKα","","0.1362","0.0606","","","0.1333","0.1641","","","","","","1.007","","","","has coordinates","193473","2020-10-21","18:00:00",""
"4125389","17.9172","0.0011","17.5654","0.001","25.9568","0.0015","90","","90","","90","","8169.2","0.8","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cl2NNF6]Cu(tBuBnSSBntBu)","","- C39 H37 Cl4 Cu F6 N2 S2 -","- C39 H37 Cl4 Cu F6 N2 S2 -","- C312 H296 Cl32 Cu8 F48 N16 S16 -","8","1","","Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols.","Journal of the American Chemical Society","2017","139","3","1045","1048","10.1021/jacs.6b11332","","","0.71073","MoKα","","0.0474","0.033","","","0.0689","0.0726","","","","","","1.032","","","","has coordinates,has disorder","193524","2020-10-21","18:00:00",""
"4125475","7.5565","0.0003","16.3552","0.0004","17.6239","0.0006","90","","90","","90","","2178.1","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.049","0.0381","","","0.0975","0.1042","","","","","","1.083","","","","has coordinates","193479","2020-10-21","18:00:00",""
"4125492","7.3996","0.0004","7.6266","0.0005","37.156","0.002","90","","90","","90","","2096.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H11 N2 O3 S -","- C9 H11 N2 O3 S -","- C72 H88 N16 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","1.54184","CuKα","","0.1017","0.0868","","","0.2163","0.2295","","","","","","1.13","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125493","7.3346","0.0002","7.5087","0.0002","36.7164","0.0014","90","","90","","90","","2022.09","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H10 N O3 S -","- C9 H10 N O3 S -","- C72 H80 N8 O24 S8 -","8","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.0558","0.0471","","","0.1353","0.1405","","","","","","1.104","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125571","9.1761","0.0003","10.9659","0.0003","23.4534","0.0008","90","","90","","90","","2359.98","0.13","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H20 N2 Se -","- C11 H20 N2 Se -","- C88 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","0.71073","MoKα","","0.0555","0.0399","","","0.0589","0.062","","","","","","1.139","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125573","11.4233","0.00009","10.80265","0.00008","18.95402","0.00015","90","","90","","90","","2338.96","0.03","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 N2 Se -","- C10 H20 N2 Se -","- C80 H160 N16 Se8 -","8","1","","Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S.","A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit.","Journal of the American Chemical Society","2017","139","6","2296","2305","10.1021/jacs.6b11021","","x-ray","1.54184","CuKα","","0.0395","0.0377","","","0.1017","0.104","","","","","","1.079","","","","has coordinates","193512","2020-10-21","18:00:00",""
"4125585","11.8978","0.0007","19.8913","0.0011","41.593","0.003","90","","90","","90","","9843.5","1.1","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C53 H76 Si4 -","- C53 H76 Si4 -","- C424 H608 Si32 -","8","1","","Shintani, Ryo; Misawa, Nana; Tsuda, Tomohiro; Iino, Ryo; Fujii, Mikiya; Yamashita, Koichi; Nozaki, Kyoko","Synthesis of Quinoidal Fused Oligosiloles by Rhodium-Catalyzed Stitching Reaction and Theoretical Investigation of Their Properties.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00344","","","0.71075","MoKα","","0.082","0.0796","","","0.1832","0.1852","","","","","","1.212","","","","has coordinates,has disorder","192631","2020-10-21","18:00:00",""
"4125623","7.69025","0.00007","13.54657","0.00017","20.9417","0.0002","90","","90","","90","","2181.63","0.04","120","","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","1","","Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C","Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.","Journal of the American Chemical Society","2017","139","1","245","254","10.1021/jacs.6b10018","","x-ray","1.54184","CuKα","","0.0515","0.0499","","","0.137","0.139","","","","","","1.054","","","","has coordinates","193026","2020-10-21","18:00:00",""
"4125629","18.1138","0.0005","12.4841","0.0003","21.1588","0.0006","90","","90","","90","","4784.7","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H24 B F4 Fe N5 O3 -","- C20 H24 B F4 Fe N5 O3 -","- C160 H192 B8 F32 Fe8 N40 O24 -","8","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0345","0.0265","","","0.0807","0.0991","","","","","","1.148","","","","has coordinates","288469","2023-12-21","09:29:37",""
"4125643","15.009","0.006","13.965","0.007","19.47","0.009","90","","90","","90","","4081","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","","Sagadevan, Arunachalam; Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Hwang, Kuo Chu","Visible Light Copper Photoredox-Catalyzed Aerobic Oxidative Coupling of Phenols and Terminal Alkynes: Regioselective Synthesis of Functionalized Ketones via C≡C Triple Bond Cleavage.","Journal of the American Chemical Society","2017","139","8","2896","2899","10.1021/jacs.6b13113","","","0.71073","MoKα","","0.2268","0.1463","","","0.3305","0.4035","","","","","","1.243","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4125650","13.92565","0.00012","6.76441","0.00005","16.55751","0.00012","90","","90","","90","","1559.7","0.02","85","2","85","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","0.5","","McAtee, Christopher C.; Riehl, Paul S.; Schindler, Corinna S.","Polycyclic Aromatic Hydrocarbons via Iron(III)-Catalyzed Carbonyl-Olefin Metathesis.","Journal of the American Chemical Society","2017","139","8","2960","2963","10.1021/jacs.7b01114","","","1.54184","CuKα","","0.0404","0.0399","","","0.0975","0.0979","","","","","","1.122","","","","has coordinates","193047","2020-10-21","18:00:00",""
"4125667","24.202","0.002","31.566","0.003","42.811","0.004","90","","90","","90","","32706","5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","CB7 diadamandate bis(anime dimethyl butylhydroxide iodide)","","- C68 H124 I2 N30 O33 -","- C68 H90 I0.5 N30 O18.836 -","- C1088 H1440 I8 N480 O301.376 -","16","2","","Sigwalt, David; Šekutor, Marina; Cao, Liping; Zavalij, Peter Y.; Hostaš, Jiří; Ajani, Haresh; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Unraveling the Structure-Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids.","Journal of the American Chemical Society","2017","139","8","3249","3258","10.1021/jacs.7b00056","","","0.71073","MoKα","","0.1175","0.0936","","","0.1789","0.1932","","","","","","0.928","","","","has coordinates","193064","2020-10-21","18:00:00",""
"4125768","7.4156","0.0006","18.973","0.002","20.2647","0.0013","90","","90","","90","","2851.2","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O3 S -","- C14 H20 N2 O3 S -","- C112 H160 N16 O24 S8 -","8","1","","Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J","Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines.","Journal of the American Chemical Society","2017","139","6","2216","2223","10.1021/jacs.6b08219","","","0.7107","MoKα","","0.048","0.0404","","","0.1009","0.1056","","","","","","1.067","","","","has coordinates","193143","2020-10-21","18:00:00",""
"4125785","17.577","0.002","8.656","0.0012","32.749","0.004","90","","90","","90","","4982.6","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","7","P b c a","-P 2ac 2ab","61","","1N-(1-prop-2-ynyl-cyclohexyl)-4-methyl-benzenesulfonamide","","- C26 H36 Cl N O2 Ru S -","- C26 H36 Cl N O2 Ru S -","- C208 H288 Cl8 N8 O16 Ru8 S8 -","8","1","","Roşca, Dragoş-Adrian; Radkowski, Karin; Wolf, Larry M.; Wagh, Minal; Goddard, Richard; Thiel, Walter; Fürstner, Alois","Ruthenium-Catalyzed Alkyne trans-Hydrometalation: Mechanistic Insights and Preparative Implications.","Journal of the American Chemical Society","2017","139","6","2443","2455","10.1021/jacs.6b12517","","","0.71073","Mo-Kα","","0.0294","0.0259","","","0.0551","0.0563","","","","","","1.197","","","","has coordinates","193157","2020-10-21","18:00:00",""
"4125792","19.7839","0.0005","19.5288","0.0004","25.0902","0.0005","90","","90","","90","","9693.7","0.4","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H66 Ce F6 Li N5 O5 -","- C49 H66 Ce F6 Li N5 O5 -","- C392 H528 Ce8 F48 Li8 N40 O40 -","8","1","","Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.","Journal of the American Chemical Society","2017","139","6","2435","2442","10.1021/jacs.6b12369","","","0.71073","MoKα","","0.0805","0.0515","","","0.1174","0.1314","","","","","","1.046","","","","has coordinates","193158","2020-10-21","18:00:00",""
"4125843","10.1175","0.0002","11.0673","0.0003","16.8859","0.0004","90","","90","","90","","1890.77","0.08","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 -","- C10 H10 N4 -","- C80 H80 N32 -","8","1","","Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J.","Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design.","Journal of the American Chemical Society","2017","139","3","1261","1274","10.1021/jacs.6b11626","","","1.54184","CuKα","","0.045","0.0389","","","0.098","0.103","","","","","","1.071","","","","has coordinates","193196","2020-10-21","18:00:00",""
"4125878","17.8809","0.0002","15.7708","0.0002","28.0382","0.0004","90","","90","","90","","7906.66","0.17","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H54 Br8 P2 Pd2 -","- C24 H54 Br8 P2 Pd2 -","- C192 H432 Br64 P16 Pd16 -","8","1","","Johansson Seechurn, Carin C. C.; Sperger, Theresa; Scrase, Thomas G.; Schoenebeck, Franziska; Colacot, Thomas J.","Understanding the Unusual Reduction Mechanism of Pd(II) to Pd(I): Uncovery of Hidden Species and Implications in Catalytic Cross-Coupling Reactions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01110","","","0.71073","MoKα","","0.0692","0.0451","","","0.0989","0.1094","","","","","","1.087","","","","has coordinates","194663","2020-10-21","18:00:00",""
"4125990","18.6592","0.0003","16.8001","0.0002","26.978","0.0004","90","","90","","90","","8457","0.2","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H48 B F10 N O2 Zr -","- C47 H48 B F10 N O2 Zr -","- C376 H384 B8 F80 N8 O16 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.0461","0.0365","","","0.082","0.0871","","","","","","1.05","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4125995","16.5662","0.0002","19.9277","0.0002","25.6405","0.0003","90","","90","","90","","8464.6","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H43 B F10 O3 Zr -","- C42 H43 B F10 O3 Zr -","- C336 H344 B8 F80 O24 Zr8 -","8","1","","Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard","CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02548","","","0.71073","MoKα","","0.053","0.0406","","","0.0899","0.0958","","","","","","1.028","","","","has coordinates","195812","2020-10-21","18:00:00",""
"4126033","19.5368","0.0007","14.2533","0.0005","23.4566","0.0009","90","","90","","90","","6531.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ma_03_101","ma_03_101","","- C34 H43 Cl2 Cu N2 S -","- C34 H43 Cl2 Cu N2 S -","- C272 H344 Cl16 Cu8 N16 S8 -","8","1","","Mailig, Melrose; Hazra, Avijit; Armstrong, Megan K.; Lalic, Gojko","Catalytic Anti-Markovnikov Hydroallylation of Terminal and Functionalized Internal Alkynes: Synthesis of Skipped Dienes and Trisubstituted Alkenes.","Journal of the American Chemical Society","2017","139","20","6969","6977","10.1021/jacs.7b02104","","","0.71073","MoKα","","0.0474","0.0363","","","0.0854","0.0921","","","","","","1.043","","","","has coordinates","197430","2020-10-21","18:00:00",""
"4126084","12.0059","0.0013","12.0835","0.0013","19.337","0.002","90","","90","","90","","2805.3","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N O -","- C18 H17 N O -","- C144 H136 N8 O8 -","8","1","","Watanabe, Takuma; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed Cycloisomerization of 2-Alkynylanilides: Synthesis of 3-Substituted Indoles by 1,2-Carbon Migration.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04564","","","0.71073","MoKα","","0.0453","0.0386","","","0.0999","0.106","","","","","","1.031","","","","has coordinates","197165","2020-10-21","18:00:00",""
"4126088","14.939","0.002","10.5023","0.0014","29.448","0.004","90","","90","","90","","4620.2","1.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H37 Br Cu N -","- C24 H37 Br Cu N -","- C192 H296 Br8 Cu8 N8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0725","0.0409","","","0.0754","0.0846","","","","","","1.017","","","","has coordinates,has disorder","197166","2020-10-21","18:00:00",""
"4126089","7.7624","0.0005","17.4793","0.001","29.6843","0.0016","90","","90","","90","","4027.6","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N Se -","- C22 H33 N Se -","- C176 H264 N8 Se8 -","8","1","","Tomás-Mendivil, Eder; Hansmann, Max M.; Weinstein, Cory M.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Bicyclic (Alkyl)(amino)carbenes (BICAACs): Stable Carbenes more Ambiphilic than CAACs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04640","","x-ray","0.71073","MoKα","K-L~3~","0.0936","0.0503","","","0.096","0.1113","","","","","","1.021","","","","has coordinates","197166","2020-10-21","18:00:00",""
"4126321","12.281","0.0006","20.641","0.001","21.993","0.001","90","","90","","90","","5575.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Keinan-70","","","- C44 H62 Cl2 N32 O16 -","- C44 H62 Cl2 N32 O16 -","- C176 H248 Cl8 N128 O64 -","4","0.5","","Reany, Ofer; Li, Amanda; Yefet, Maayan; Gilson, Michael K.; Keinan, Ehud","Attractive Interactions between Heteroallenes and the Cucurbituril Portal.","Journal of the American Chemical Society","2017","139","24","8138","8145","10.1021/jacs.6b13005","","","0.71073","MoKα","","0.0435","0.0389","","","0.1081","0.1112","","","","","","1.059","","","","has coordinates","199522","2020-10-21","18:00:00",""
"4126334","19.016","0.0013","13.826","0.001","20.5909","0.001","90","","90","","90","","5413.7","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 B20 O -","- C18 H34 B20 O -","- C144 H272 B160 O8 -","8","1","","Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong","Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07160","","","0.71073","MoKα","","0.1066","0.0616","","","0.1683","0.191","","","","","","1.052","","","","has coordinates","199930","2020-10-21","18:00:00",""
"4126350","8.296","0.0001","16.6872","0.0001","33.1607","0.0003","90","","90","","90","","4590.67","0.07","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H23 N3 O4 -","- C29 H23 N3 O4 -","- C232 H184 N24 O32 -","8","1","","Halabi, Elias A.; Thiel, Zacharias; Trapp, Nils; Pinotsi, Dorothea; Rivera-Fuentes, Pablo","A Photoactivatable Probe for Super-Resolution Imaging of Enzymatic Activity in Live Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07748","","x-ray","1.54184","CuKα","","0.0625","0.0548","","","0.1415","0.1469","","","","","","1.075","","","","has coordinates,has disorder","200228","2020-10-21","18:00:00",""
"4126463","7.5218","0.0005","12.0554","0.0006","18.3287","0.001","90","","90","","90","","1662.02","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","0.71073","MoKα","","0.05","0.0415","","","0.1107","0.1173","","","","","","1.071","","","","has coordinates","201261","2020-10-21","18:00:00",""
"4126481","16.3878","0.0004","16.6254","0.0004","22.655","0.0006","90","","90","","90","","6172.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H37 Cl2 N3 Ru -","- C33 H37 Cl2 N3 Ru -","- C264 H296 Cl16 N24 Ru8 -","8","1","","Walsh, Dylan J.; Lau, Sii Hong; Hyatt, Michael G.; Guironnet, Damien","Kinetic Study of Living Ring-Opening Metathesis Polymerization with Third-Generation Grubbs Catalysts","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08010","","","0.71073","MoKα","","0.0393","0.0313","","","0.0715","0.0756","","","","","","1.032","","","","has coordinates,has disorder","201279","2020-10-21","18:00:00",""
"4126580","16.144","0.003","15.029","0.003","17.02","0.003","90","","90","","90","","4129.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H18 N2 O2 -","- C28 H18 N2 O2 -","- C224 H144 N16 O16 -","8","1","","Huang, Chung-Yang; Bonasera, Aurelio; Hristov, Lachezar; Garmshausen, Yves; Schmidt, Bernd M.; Jacquemin, Denis; Hecht, Stefan","N,N′-Disubstituted Indigos as Readily Available Red-Light Photoswitches with Tunable Thermal Half-Lives","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08726","","","0.71073","MoKα","","0.0394","0.0366","","","0.0928","0.0952","","","","","","1.024","","","","has coordinates","201924","2020-10-21","18:00:00",""
"4126594","9.3504","0.0013","11.1993","0.0017","25.696","0.004","90","","90","","90","","2690.8","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cp142","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0516","0.0397","","","0.0969","0.1065","","","","","","1.106","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126595","10.6721","0.0003","12.1232","0.0003","25.2806","0.0007","90","","90","","90","","3270.8","0.15","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","CP198-C2","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0499","0.0389","","","0.0878","0.0939","","","","","","1.057","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126619","22.246","0.004","20.4","0.004","23.835","0.005","90","","90","","90","","10817","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C55 H72 F3 N7 O3 S -","- C55 H72 F3 N7 O3 S -","- C440 H576 F24 N56 O24 S8 -","8","1","","Back, Jisu; Park, Junbeom; Kim, Youngsuk; Kang, Haneol; Kim, Yonghwi; Park, Moon Jeong; Kim, Kimoon; Lee, Eunsung","Triazenyl Radicals Stabilized by N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08753","","","0.66002","synchrotron","","0.1128","0.0907","","","0.2728","0.2886","","","","","","1.067","","","","has coordinates","202221","2020-10-21","18:00:00",""
"4126634","19.425","0.004","18.198","0.004","8.8148","0.0018","90","","90","","90","","3116","1.1","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.999 N O2 -","- C96 H128 Cl23.992 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0808","0.0721","","","0.1763","0.1836","","","","","","1.081","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126635","19.3641","0.0006","18.099","0.0006","8.7904","0.0002","90","","90","","90","","3080.78","0.16","240","2","240","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl3.001 N O2 -","- C96 H128 Cl24.008 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.0781","0.0621","","","0.1389","0.1521","","","","","","1.061","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126636","19.243","0.0007","17.9355","0.0007","8.7459","0.0003","90","","90","","90","","3018.5","0.19","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Cl3 N O2 -","- C12 H16 Cl2.99 N O2 -","- C96 H128 Cl23.92 N8 O16 -","8","1","","Sun, Zhihua; Li, Jian; Ji, Chengmin; Sun, Junliang; Hong, Maochun; Luo, Junhua","Unusual Long-Range Ordering Incommensurate Structural Modulations in an Organic Molecular Ferroelectric.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08950","","","0.71073","MoKα","","0.074","0.0618","","","0.1297","0.1377","","","","","","1.045","","","","has coordinates,has disorder","202280","2020-10-21","18:00:00",""
"4126807","15.3152","0.0007","21.6095","0.0011","23.3982","0.0011","90","","90","","90","","7743.7","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H60 Cl3 N Si4 -","- C34 H60 Cl3 N Si4 -","- C272 H480 Cl24 N8 Si32 -","8","1","","Kosai, Tomoyuki; Iwamoto, Takeaki","A Stable Push-Pull Disilene: Substantial Donor-Acceptor Interactions through the Si=Si Double Bond.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09989","","","0.71073","MoKα","","0.0912","0.0561","","","0.0964","0.1055","","","","","","1.074","","","","has coordinates","204023","2020-10-21","18:00:00",""
"4126960","7.8289","0.0005","24.8954","0.0018","31.81","0.002","90","","90","","90","","6199.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RAD_OChevron","SVK3_171","","- C42 H24 Br2 O -","- C42 H24 Br2 O -","- C336 H192 Br16 O8 -","8","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.1384","0.0655","","","0.1404","0.1738","","","","","","1.007","","","","has coordinates","204700","2020-10-21","18:00:00",""
"4126987","16.427","0.006","22.131","0.007","27.116","0.008","90","","90","","90","","9858","6","101","2","101","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 N2 O3 W -","- C53 H72 B2 N2 O3 W -","- C424 H576 B16 N16 O24 W8 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0365","0.0226","","","0.0439","0.0485","","","","","","1.034","","","","has coordinates,has disorder","204937","2020-10-21","18:00:00",""
"4126989","16.431","0.009","22.145","0.012","27.09","0.015","90","","90","","90","","9857","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C53 H72 B2 Mo N2 O3 -","- C53 H72 B2 Mo N2 O3 -","- C424 H576 B16 Mo8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.064","0.0361","","","0.0698","0.0796","","","","","","1.019","","","","has coordinates,has disorder","204939","2020-10-21","18:00:00",""
"4126990","16.205","0.006","22.446","0.005","27.356","0.012","90","","90","","90","","9950","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H74 B2 Cr N2 O3 -","- C54 H74 B2 Cr N2 O3 -","- C432 H592 B16 Cr8 N16 O24 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Jiménez-Halla, J Oscar C; Krummenacher, Ivo; Stennett, Tom E.","Half-Sandwich Complexes of an Extremely Electron-Donating, Redox-Active η6-Diborabenzene Ligand.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12394","","","0.71073","MoKα","","0.0464","0.0365","","","0.0926","0.0989","","","","","","1.055","","","","has coordinates","204940","2020-10-21","18:00:00",""
"4126994","16.7598","0.0003","16.5657","0.0003","12.5706","0.0002","90","","90","","90","","3490.07","0.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C136 H184 N8 O40 -","8","1","","Meng, Guangrong; Shi, Shicheng; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","Reversible Twisting of Primary Amides via Ground State N-C(O) Destabilization: Highly Twisted Rotationally-Inverted Acyclic Amides.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11309","","","1.54178","CuKα","","0.04","0.0373","","","0.0936","0.0956","","","","","","1.083","","","","has coordinates","204944","2020-10-21","18:00:00",""
"4127018","18.37789","0.00016","25.1011","0.0002","28.6642","0.0003","90","","90","","90","","13222.9","0.2","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C252 H488 Ag56 B240 Cl24 N32 S48 -","4","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0474","0.0453","","","0.1149","0.1163","","","","","","1.112","","","","has coordinates","205091","2020-10-21","18:00:00",""
"4127071","14.3206","0.0003","15.7507","0.0003","38.5776","0.0006","90","","90","","90","","8701.5","0.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C252 H496 B24 Br16 N8 O8 P16 Si16 Zn8 -","4","0.5","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.1089","0.0571","","","0.1418","0.1672","","","","","","1.041","","","","has coordinates,has disorder","205505","2020-10-21","18:00:00",""
"4127201","16.3481","0.0003","22.1973","0.0004","35.036","0.0007","90","","90","","90","","12714","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.54 H32.42 F6 N4 Ni -","- C33.542 H32.416 F6 N4 Ni -","- C536.672 H518.656 F96 N64 Ni16 -","16","2","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.061","0.0444","","","0.1098","0.1183","","","","","","1.009","","","","has coordinates,has disorder","206849","2020-10-21","18:00:00",""
"4127214","10.8771","0.0003","15.7831","0.0004","32.4325","0.0008","90","","90","","90","","5567.8","0.2","103","2","103.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0658","0.041","","","0.0825","0.0918","","","","","","1.096","","","","has coordinates,has disorder","207011","2020-10-21","18:00:00",""
"4127215","10.887","0.002","15.832","0.003","32.699","0.007","90","","90","","90","","5636.1","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0925","0.0678","","","0.107","0.116","","","","","","1.221","","","","has coordinates,has disorder","207012","2020-10-21","18:00:00",""
"4127227","18.4913","0.0002","20.3554","0.0003","24.9867","0.0003","90","","90","","90","","9404.9","0.2","170","2","170.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H73 Co N3 O -","- C52 H73 Co N3 O -","- C416 H584 Co8 N24 O8 -","8","1","","Wang, Dongyang; Leng, Xuebing; Ye, Shengfa; Deng, Liang","Substrate Redox Non-innocence Inducing Stepwise Oxidative Addition Reaction: Nitrosoarene C-N Bond Cleavage on Low-Coordinate Cobalt(0) Species.","Journal of the American Chemical Society","2019","141","19","7731","7735","10.1021/jacs.9b03726","","","1.34139","GaKα","","0.0792","0.0683","","","0.1888","0.1984","","","","","","1.054","","","","has coordinates","223199","2020-10-21","18:00:00",""
"4127336","22.8735","0.0003","13.41873","0.00018","24.0089","0.0003","90","","90","","90","","7369.13","0.17","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H43 Cl3 N8 O2 -","- C37 H43 Cl3 N8 O2 -","- C296 H344 Cl24 N64 O16 -","8","1","","Zhang, Qian; Wang, Ting; Zhang, Xinhao; Tong, Shuo; Wu, Yun-Dong; Wang, Mei-Xiang","Radical Reactivity, Catalysis and Reaction Mechanism of Arylcopper(II) Compounds: The Missing Link in Organocopper Chemistry.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10226","","x-ray","1.54184","CuKα","","0.0769","0.0674","","","0.1872","0.1975","","","","","","1.043","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127410","6.626","0.0004","19.1358","0.001","24.4346","0.001","90","","90","","90","","3098.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H18 Cl2 Sn2 -","- C10 H18 Cl2 Sn2 -","- C80 H144 Cl16 Sn16 -","8","1","","Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon","Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex.","Journal of the American Chemical Society","2019","141","28","11000","11003","10.1021/jacs.9b05925","","","1.54184","CuKα","","0.0933","0.0504","","","0.1187","0.1665","","","","","","1.005","","","","has coordinates","220687","2020-10-21","18:00:00",""
"4127450","18.9227","0.0005","15.8869","0.0005","23.304","0.0006","90","","90","","90","","7005.7","0.3","99.99","","99.99","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C41 H51 N3 -","- C41 H51 N3 -","- C328 H408 N24 -","8","1","","Antoni, Patrick W.; Bruckhoff, Tim; Hansmann, Max M.","Organic Redox Systems Based on Pyridinium-Carbene Hybrids.","Journal of the American Chemical Society","2019","141","24","9701","9711","10.1021/jacs.9b04249","","","1.54178","CuKα","","0.0379","0.035","","","0.088","0.0903","","","","","","1.026","","","","has coordinates,has disorder","220723","2020-10-21","18:00:00",""
"4127566","15.56","0.005","14.528","0.005","16.734","0.006","90","","90","","90","","3783","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl Ir N2 O -","- C20 H24 Cl Ir N2 O -","- C160 H192 Cl8 Ir8 N16 O8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0585","0.0382","","","0.0757","0.0814","","","","","","0.982","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127567","15.47","0.002","14.542","0.002","16.668","0.003","90","","90","","90","","3749.7","1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C160 H192 Cl8 N16 O8 Rh8 -","8","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0564","0.0374","","","0.0734","0.0778","","","","","","0.919","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127616","11.1215","0.0002","14.9694","0.0002","28.8591","0.0004","90","","90","","90","","4804.53","0.13","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C224 H160 O32 S16 -","16","2","","Gao, Qingqing; Xiong, Ling-Hong; Han, Ting; Qiu, Zijie; He, Xuewen; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Three-Component Regio- and Stereoselective Polymerizations toward Functional Chalcogen-Rich Polymers with AIE-Activities.","Journal of the American Chemical Society","2019","141","37","14712","14719","10.1021/jacs.9b06493","","x-ray","1.54184","CuKα","","0.033","0.0293","","","0.0795","0.082","","","","","","1.011","","","","has coordinates","220822","2020-10-21","18:00:00",""
"4127698","14.0153","0.0003","11.1661","0.0003","19.0586","0.0005","90","","90","","90","","2982.6","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H46 B2 N2 O4 -","- C30 H46 B2 N2 O4 -","- C120 H184 B8 N8 O16 -","4","0.5","","Oeschger, Raphael J.; Larsen, Matthew A.; Bismuto, Alessandro; Hartwig, John F.","Origin of the Difference in Reactivity between Ir Catalysts for the Borylation of C-H Bonds.","Journal of the American Chemical Society","2019","141","41","16479","16485","10.1021/jacs.9b08920","","","1.54184","CuKα","","0.0645","0.056","","","0.1595","0.1665","","","","","","1.056","","","","has coordinates","220891","2020-10-21","18:00:00",""
"4127702","24.2958","0.0005","17.0876","0.0002","24.361","0.0003","90","","90","","90","","10113.6","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5,14-diformylbenzo[a]dinaphtho[2,1,8-cde:1',2',3',4'-ghi]perylene","","- C40 H21 N O2 -","- C40 H21 N O2 -","- C640 H336 N16 O32 -","16","2","","Chen, Qiang; Thoms, Stefan; Stöttinger, Sven; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu; Basché, Thomas","Dibenzo[<i>hi</i>,<i>st</i>]ovalene as Highly Luminescent Nanographene: Efficient Synthesis via Photochemical Cyclodehydroiodination, Optoelectronic Properties, and Single-Molecule Spectroscopy.","Journal of the American Chemical Society","2019","141","41","16439","16449","10.1021/jacs.9b08320","","","0.71073","MoKα","","0.1134","0.0878","","","0.1855","0.1999","","","","","","1.153","","","","has coordinates","220896","2020-10-21","18:00:00",""
"4127752","9.0291","0.0009","8.9825","0.0009","52.666","0.006","90","","90","","90","","4271.4","0.8","340","2","340.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H40 I10 N4 Pb3 -","- C12 H40 I10 N4 Pb3 -","- C48 H160 I40 N16 Pb12 -","4","0.5","","Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua","High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.","Journal of the American Chemical Society","2019","141","32","12470","12474","10.1021/jacs.9b05124","","","0.71073","MoKα","","0.2133","0.1064","","","0.2053","0.2453","","","","","","1.084","","","","has coordinates","220923","2020-10-21","18:00:00",""
"4127779","21.454","0.003","16.346","0.002","22.919","0.003","90","","90","","90","","8037.4","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","DACstartCuCz(CN)2","","","- C44 H46 Cu N5 O2 -","- C44 H46 Cu N5 O2 -","- C352 H368 Cu8 N40 O16 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0639","0.0397","","","0.0883","0.0975","","","","","","1.04","","","","has coordinates","220950","2020-10-21","18:00:00",""
"4127780","21.45","0.004","16.176","0.003","23.183","0.005","90","","90","","90","","8044","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MAACCuCzCN2","","","- C44 H49 Cu N5 O -","- C44 H48 Cu N5 O -","- C352 H384 Cu8 N40 O8 -","8","1","","Shi, Shuyang; Jung, Moon Chul; Coburn, Caleb; Tadle, Abegail; Sylvinson M R, Daniel; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","Highly Efficient Photo- and Electroluminescence from Two-Coordinate Cu(I) Complexes Featuring Nonconventional N-Heterocyclic Carbenes.","Journal of the American Chemical Society","2019","141","8","3576","3588","10.1021/jacs.8b12397","","","0.71073","MoKα","","0.0501","0.0342","","","0.0815","0.0898","","","","","","1.013","","","","has coordinates","220951","2020-10-21","18:00:00",""
"4127801","15.14","0.0003","8.47783","0.00014","22.8203","0.0004","90","","90","","90","","2929.08","0.09","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H30 O2 -","- C15 H30 O2 -","- C120 H240 O16 -","8","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0611","0.0488","","","0.1227","0.1347","","","","","","1.029","","","","has coordinates","220973","2020-10-21","18:00:00",""
"4127814","10.1368","0.0004","16.7143","0.0007","39.9206","0.0018","90","","90","","90","","6763.7","0.5","230","2","230","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H46 B Cl N2 O4 -","- C33 H46 B Cl N2 O4 -","- C264 H368 B8 Cl8 N16 O32 -","8","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0772","0.0534","","","0.1462","0.1596","","","","","","1.29","","","","has coordinates","220986","2020-10-21","18:00:00",""
"4127815","14.5624","0.0006","18.4649","0.0007","38.235","0.0015","90","","90","","90","","10281.1","0.7","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H31 B N2 O4 -","- C26 H31 B N2 O4 -","- C416 H496 B16 N32 O64 -","16","2","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.","Journal of the American Chemical Society","2019","141","8","3623","3629","10.1021/jacs.8b13010","","","1.54178","CuKα","","0.0697","0.0496","","","0.1441","0.1561","","","","","","1.443","","","","has coordinates","220987","2020-10-21","18:00:00",""
"4127866","8.6383","0.0007","13.5782","0.0012","26.556","0.002","90","","90","","90","","3114.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 B N2 O -","- C19 H17 B N2 O -","- C152 H136 B8 N16 O8 -","8","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0448","0.0365","","","0.0929","0.0987","","","","","","1.034","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127954","9.881","0.006","7.799","0.005","36.55","0.02","90","","90","","90","","2817","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H9 Cl4 F -","- C14 H9 Cl4 F -","- C112 H72 Cl32 F8 -","8","1","","Zhu, Xiaolong; Hu, Chunhua T.; Yang, Jingxiang; Joyce, Leo A.; Qiu, Mengdi; Ward, Michael D.; Kahr, Bart","Manipulating Solid Forms of Contact Insecticides for Infectious Disease Prevention.","Journal of the American Chemical Society","2019","141","42","16858","16864","10.1021/jacs.9b08125","","","0.71073","MoKα","","0.1444","0.1242","","","0.4113","0.422","","","","","","1.783","","","","has coordinates,has disorder","221106","2020-10-21","18:00:00",""
"4127966","14.3745","0.0004","6.0487","0.0002","24.5776","0.0006","90","","90","","90","","2136.95","0.11","98","2","98","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C112 H96 N16 -","8","1","","Neff, Robynne K.; Su, Yong-Liang; Liu, Siqi; Rosado, Melina; Zhang, Xinhao; Doyle, Michael P.","Generation of Halomethyl Radicals by Halogen Atom Abstraction and Their Addition Reactions with Alkenes.","Journal of the American Chemical Society","2019","141","42","16643","16650","10.1021/jacs.9b05921","","x-ray","0.71073","MoKα","","0.0409","0.0392","","","0.0978","0.0991","","","","","","1.054","","","","has coordinates","221116","2020-10-21","18:00:00",""
"4128014","6.7928","0.0005","12.0154","0.0008","25.9101","0.0019","90","","90","","90","","2114.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C88 H96 Cl8 N8 O8 -","8","1","","Hong, Seung Youn; Chang, Sukbok","Stereodefined Access to Lactams via Olefin Difunctionalization: Iridium Nitrenoids as a Motif of LUMO-Controlled Dipoles.","Journal of the American Chemical Society","2019","141","26","10399","10408","10.1021/jacs.9b04317","","","0.71073","MoKα","","0.1135","0.0663","","","0.1164","0.131","","","","","","1.161","","","","has coordinates","221153","2020-10-21","18:00:00",""
"4128048","14.8961","0.0004","12.6957","0.0005","18.6653","0.0008","90","","90","","90","","3529.9","0.2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C27 H16 N2 -","- C27 H16 N2 -","- C216 H128 N16 -","8","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0568","0.0431","","","0.0978","0.1029","","","","","","1.118","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128078","10.5812","0.0019","13.097","0.002","15.615","0.002","90","","90","","90","","2164","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 O S -","- C14 H10 O S -","- C112 H80 O8 S8 -","8","1","","Smith, Ronald A.; Fu, Guanyao; McAteer, Owen; Xu, Mizhi; Gutekunst, Will R.","Radical Approach to Thioester-Containing Polymers.","Journal of the American Chemical Society","2019","141","4","1446","1451","10.1021/jacs.8b12154","","","0.71073","MoKα","","0.0603","0.0439","","","0.117","0.1296","","","","","","1.05","","","","has coordinates","221209","2020-10-21","18:00:00",""
"4128113","10.7639","0.0007","21.7165","0.0014","31.819","0.002","90","","90","","90","","7437.8","0.8","100","2","100.11","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H46 Ca Co N6 O17 -","- C29 H46 Ca Co N6 O17 -","- C232 H368 Ca8 Co8 N48 O136 -","8","1","","Du, Kang; Thorarinsdottir, Agnes E.; Harris, T. David","Selective Binding and Quantitation of Calcium with a Cobalt-Based Magnetic Resonance Probe.","Journal of the American Chemical Society","2019","141","17","7163","7172","10.1021/jacs.9b02661","","","0.71073","MoKα","","0.1447","0.135","","","0.284","0.288","","","","","","1.204","","","","has coordinates,has disorder","221243","2020-10-21","18:00:00",""
"4128135","16.4422","0.0002","20.0536","0.0003","27.5154","0.0004","90","","90","","90","","9072.5","0.2","180","0.3","180","0.3","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C76 H152 Al2 Li2 O10 P4 Si4 -","- C304 H608 Al8 Li8 O40 P16 Si16 -","4","0.5","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0826","0.0738","","","0.1997","0.2094","","","","","","1.04","","","","has coordinates","221264","2020-10-21","18:00:00",""
"4128177","19.1024","0.0002","7.84458","0.00012","32.2257","0.0005","90","","90","","90","","4829.03","0.12","109.95","0.1","109.95","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H18 Mn N O3 -","- C28 H18 Mn N O3 -","- C224 H144 Mn8 N8 O24 -","8","1","","Hammarback, L. Anders; Robinson, Alan; Lynam, Jason M.; Fairlamb, Ian J. S.","Mechanistic Insight into Catalytic Redox-Neutral C-H Bond Activation Involving Manganese(I) Carbonyls: Catalyst Activation, Turnover, and Deactivation Pathways Reveal an Intricate Network of Steps.","Journal of the American Chemical Society","2019","141","6","2316","2328","10.1021/jacs.8b09095","","x-ray","1.54184","CuKα","","0.0637","0.0457","","","0.1022","0.1095","","","","","","1.038","","","","has coordinates","221315","2020-10-21","18:00:00",""
"4128247","18.2527","0.0004","21.281","0.0004","24.4192","0.0005","90","","90","","90","","9485.3","0.3","100","2","99.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H50 F6 Fe N8 O6 S2 -","- C45 H50 F6 Fe N8 O6 S2 -","- C360 H400 F48 Fe8 N64 O48 S16 -","8","1","","Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R.","Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation.","Journal of the American Chemical Society","2019","141","16","6639","6650","10.1021/jacs.9b01516","","x-ray","0.71073","MoKα","","0.0716","0.0568","","","0.1381","0.1497","","","","","","1.031","","","","has coordinates,has disorder","221372","2020-10-21","18:00:00",""
"4128275","8.5386","0.0007","10.4949","0.0009","18.8536","0.0016","90","","90","","90","","1689.5","0.2","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C80 H80 O16 -","8","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.0482","0.0367","","","0.1044","0.1157","","","","","","1.022","","","","has coordinates","221397","2020-10-21","18:00:00",""
"4128299","16.3899","0.0014","8.4422","0.0008","21.6823","0.0019","90","","90","","90","","3000.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H8 F6 N2 O3 -","- C16 H8 F6 N2 O3 -","- C128 H64 F48 N16 O24 -","8","1","","Belligund, Kavita; Mathew, Thomas; Hunt, Jonathan R.; Nirmalchandar, Archith; Haiges, Ralf; Dawlaty, Jahan; Prakash, G. K. Surya","Photochemistry of 2-Nitroarenes: 2-Nitrophenyl-α-trifluoromethyl Carbinols as Synthons for Fluoroorganics.","Journal of the American Chemical Society","2019","141","40","15921","15931","10.1021/jacs.9b07241","","","0.71073","MoKα","","0.0469","0.0351","","","0.089","0.0961","","","","","","1.037","","","","has coordinates","221421","2020-10-21","18:00:00",""
"4128487","18.5935","0.0003","18.54","0.0003","24.548","0.0005","90","","90","","90","","8462.3","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H68 N5 Ni P Si2 -","- C37 H68 N5 Ni P Si2 -","- C296 H544 N40 Ni8 P8 Si16 -","8","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0559","0.0381","","","0.0945","0.1053","","","","","","1.015","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128496","12.463","0.007","15.073","0.008","32.221","0.017","90","","90","","90","","6053","6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H53 N O8 P2 Ru -","- C23 H53 N O8 P2 Ru -","- C184 H424 N8 O64 P16 Ru8 -","8","1","","Kar, Sayan; Sen, Raktim; Kothandaraman, Jotheeswari; Goeppert, Alain; Chowdhury, Ryan; Munoz, Socrates B.; Haiges, Ralf; Prakash, G. K. Surya","Mechanistic Insights into Ruthenium-Pincer-Catalyzed Amine-Assisted Homogeneous Hydrogenation of CO<sub>2</sub> to Methanol.","Journal of the American Chemical Society","2019","141","7","3160","3170","10.1021/jacs.8b12763","","","0.71073","MoKα","","0.1084","0.0621","","","0.1214","0.1368","","","","","","1.019","","","","has coordinates","221580","2020-10-21","18:00:00",""
"4128629","15.5286","0.0015","15.6454","0.0013","18.0654","0.0016","90","","90","","90","","4389","0.7","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0923","0.0516","","","0.1227","0.1626","","","","","","1.094","","","","has coordinates,has disorder","221710","2020-10-21","18:00:00",""
"4128630","15.5088","0.0009","15.5888","0.0007","18.0871","0.0009","90","","90","","90","","4372.8","0.4","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.15 Co N4 -","- C102.4 H82.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0708","0.0446","","","0.1232","0.1499","","","","","","1.133","","","","has coordinates,has disorder","221711","2020-10-21","18:00:00",""
"4128631","15.487","0.003","15.52","0.002","18.108","0.003","90","","90","","90","","4352.4","1.2","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0482","0.0307","","","0.08","0.0922","","","","","","1.061","","","","has coordinates,has disorder","221712","2020-10-21","18:00:00",""
"4128632","15.2978","0.0007","15.4168","0.0008","18.1951","0.0008","90","","90","","90","","4291.2","0.4","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0363","0.0261","","","0.0714","0.078","","","","","","1.079","","","","has coordinates,has disorder","221713","2020-10-21","18:00:00",""
"4128633","15.2069","0.0007","15.3558","0.0007","18.1389","0.0007","90","","90","","90","","4235.7","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0563","0.0391","","","0.0969","0.1112","","","","","","1.109","","","","has coordinates,has disorder","221714","2020-10-21","18:00:00",""
"4128634","15.342","0.004","15.808","0.003","18.03","0.003","90","","90","","90","","4372.7","1.6","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0747","0.0432","","","0.1136","0.138","","","","","","1.046","","","","has coordinates,has disorder","221715","2020-10-21","18:00:00",""
"4128635","15.5146","0.0011","15.7585","0.001","18.0597","0.0011","90","","90","","90","","4415.4","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H5.95 Co N4 -","- C115.2 H95.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.075","0.0466","","","0.1388","0.174","","","","","","1.098","","","","has coordinates,has disorder","221716","2020-10-21","18:00:00",""
"4128637","15.4766","0.0013","15.6759","0.0012","18.0353","0.0015","90","","90","","90","","4375.5","0.6","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0641","0.0436","","","0.119","0.1419","","","","","","1.093","","","","has coordinates,has disorder","221718","2020-10-21","18:00:00",""
"4128638","15.3978","0.0004","15.3546","0.0005","18.1591","0.0005","90","","90","","90","","4293.3","0.2","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.48 H5.98 N4 Zn -","- C6.48 H5.98 N4 Zn -","- C103.68 H95.68 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0523","0.0457","","","0.1197","0.125","","","","","","1.112","","","","has coordinates,has disorder","221719","2020-10-21","18:00:00",""
"4128641","15.4409","0.0006","15.0978","0.0008","18.2903","0.0009","90","","90","","90","","4263.9","0.4","100","0.4","100","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.62 H9.12 N4.5 O0.5 Zn -","- C7.62 H9.12 N4.5 O0.5 Zn -","- C121.92 H145.92 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0603","0.0393","","","0.0919","0.1091","","","","","","1.119","","","","has coordinates,has disorder","221722","2020-10-21","18:00:00",""
"4128642","15.1566","0.0012","15.6776","0.0007","18.2216","0.0015","90","","90","","90","","4329.8","0.5","100.1","0.5","100.1","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.9 H9.7 Co N4.5 O0.5 -","- C7.9 H9.7 Co N4.5 O0.5 -","- C126.4 H155.2 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.1087","0.0687","","","0.1647","0.1919","","","","","","1.112","","","","has coordinates,has disorder","221723","2020-10-21","18:00:00",""
"4128643","15.403","0.0006","15.504","0.0006","18.1233","0.0007","90","","90","","90","","4328","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.4 H6.2 Co N4 -","- C6.4 H5.4 Co N4 -","- C102.4 H86.4 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0492","0.0323","","","0.0823","0.0945","","","","","","1.098","","","","has coordinates,has disorder","221724","2020-10-21","18:00:00",""
"4128644","15.0835","0.0007","15.2881","0.0007","18.2031","0.0008","90","","90","","90","","4197.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0357","0.0276","","","0.0654","0.0706","","","","","","1.043","","","","has coordinates,has disorder","221725","2020-10-21","18:00:00",""
"4128645","15.4686","0.0007","15.1468","0.0012","18.2938","0.001","90","","90","","90","","4286.2","0.5","99.9","0.3","99.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.78 H9.28 N4.5 O0.5 Zn -","- C7.78 H9.28 N4.5 O0.5 Zn -","- C124.48 H148.48 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0697","0.0434","","","0.1026","0.119","","","","","","1.049","","","","has coordinates,has disorder","221726","2020-10-21","18:00:00",""
"4128646","15.4872","0.0007","15.0774","0.0011","18.3105","0.0008","90","","90","","90","","4275.6","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.7 H9.2 N4.5 O0.5 Zn -","- C7.7 H9.2 N4.5 O0.5 Zn -","- C123.2 H147.2 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0591","0.0374","","","0.0888","0.1015","","","","","","1.053","","","","has coordinates,has disorder","221727","2020-10-21","18:00:00",""
"4128647","15.4061","0.0008","15.281","0.0011","18.2918","0.0014","90","","90","","90","","4306.3","0.5","100","0.5","100","0.5","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.58 H9.54 N4.5 O0.62 Zn -","- C7.58 H9.54 N4.5 O0.625 Zn -","- C121.28 H152.64 N72 O10 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0655","0.0419","","","0.0997","0.1149","","","","","","1.042","","","","has coordinates,has disorder","221728","2020-10-21","18:00:00",""
"4128648","15.4399","0.0004","15.4843","0.0006","18.1529","0.0006","90","","90","","90","","4339.9","0.2","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.68 H6.18 N4 Zn -","- C6.68 H6.18 N4 Zn -","- C106.88 H98.88 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0628","0.0516","","","0.1286","0.1346","","","","","","1.109","","","","has coordinates,has disorder","221729","2020-10-21","18:00:00",""
"4128649","15.282","0.002","15.664","0.002","18.179","0.002","90","","90","","90","","4351.6","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7.73 H8.79 Co N4.35 O0.35 -","- C7.73 H8.79 Co N4.35 O0.35 -","- C123.68 H140.64 Co16 N69.6 O5.6 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0552","0.0494","","","0.1463","0.1541","","","","","","1.102","","","","has coordinates,has disorder","221730","2020-10-21","18:00:00",""
"4128650","15.386","0.0007","15.6096","0.0007","18.0571","0.0007","90","","90","","90","","4336.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7.2 H6.6 Co N4 -","- C7.2 H6.2 Co N4 -","- C115.2 H99.2 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.0602","0.0432","","","0.1155","0.1321","","","","","","1.159","","","","has coordinates,has disorder","221731","2020-10-21","18:00:00",""
"4128651","15.4724","0.0007","15.5973","0.0011","18.1477","0.0008","90","","90","","90","","4379.5","0.4","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6.96 H6.46 N4 Zn -","- C6.96 H6.46 N4 Zn -","- C111.36 H103.36 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","x-ray","0.71073","MoKα","","0.0671","0.0519","","","0.1301","0.1379","","","","","","1.07","","","","has coordinates,has disorder","221732","2020-10-21","18:00:00",""
"4128652","15.591","0.005","15.606","0.004","18.103","0.005","90","","90","","90","","4405","2","400","2","400","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Co N4 -","- C6 H6 Co N4 -","- C96 H96 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Kolodzeiski, Pascal; Pallach, Roman; Henke, Sebastian","Meltable Mixed-Linker Zeolitic Imidazolate Frameworks and Their Microporous Glasses: From Melting Point Engineering to Selective Hydrocarbon Sorption.","Journal of the American Chemical Society","2019","141","31","12362","12371","10.1021/jacs.9b05558","","","0.71073","MoKα","","0.071","0.0372","","","0.0993","0.1238","","","","","","1.042","","","","has coordinates,has disorder","221733","2020-10-21","18:00:00",""
"4128663","16.7541","0.0018","20.7321","0.0017","26.318","0.003","90","","90","","90","","9141.5","1.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H32 B4 F22 -","- C48 H32 B4 F22 -","- C384 H256 B32 F176 -","8","1","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0938","0.0535","","","0.1479","0.1862","","","","","","1.065","","","","has coordinates,has disorder","221744","2020-10-21","18:00:00",""
"4128678","23.3229","0.0007","16.5703","0.0005","25.209","0.0007","90","","90","","90","","9742.5","0.5","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C52 H48 B Br Cl3 Ir O P4 -","- C52 H48 B Br Cl3 Ir O P4 -","- C416 H384 B8 Br8 Cl24 Ir8 O8 P32 -","8","1","","Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert","Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.","Journal of the American Chemical Society","2019","141","18","7596","7604","10.1021/jacs.9b02598","","","0.71073","MoKα","","0.075","0.0522","","","0.1311","0.1492","","","","","","1.159","","","","has coordinates","221759","2020-10-21","18:00:00",""
"4128747","13.49627","","9.884103","","9.164619","","90","","90","","90","","1222.55","","563","","563","","","","810000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-hPT-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C48 H48 N32 Zn8 -","8","1","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.046","","","","","","","","0.0832","","","","","","","has coordinates","221817","2020-10-21","18:00:00",""
"4128748","14.56659","","14.44478","","15.45102","","90","","90","","90","","3251.07","","313","","313","","","","200000","","","","","4","P b c a","-P 2ac 2ab","61","ZIF-4-cp-II","catena-(tetrakis(μ2-Imidazolato-N,N')-di-zinc(ii) clathrate)","","- C6 H6 N4 Zn -","- C6 H6 N4 Zn -","- C96 H96 N64 Zn16 -","16","2","","Widmer, Remo N.; Lampronti, Giulio I.; Chibani, Siwar; Wilson, Craig W.; Anzellini, Simone; Farsang, Stefan; Kleppe, Annette K.; Casati, Nicola P. M.; MacLeod, Simon G.; Redfern, Simon A. T.; Coudert, François-Xavier; Bennett, Thomas D.","Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.","Journal of the American Chemical Society","2019","141","23","9330","9337","10.1021/jacs.9b03234","powder diffraction","","0.4246","synchrotron","","0.0627","","","","","","","","23.634","","","","","","","has coordinates","221818","2020-10-21","18:00:00",""
"4128790","17.014","0.003","16.181","0.003","18.608","0.004","90","","90","","90","","5122.8","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H88 Cr Li2 O10 Si4 -","- C40 H88 Cr Li2 O10 Si4 -","- C160 H352 Cr4 Li8 O40 Si16 -","4","0.5","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0458","0.0393","","","0.0965","0.1017","","","","","","1.031","","","","has coordinates","221854","2020-10-21","18:00:00",""
"4128904","13.826","0.0009","16.6549","0.0009","17.2897","0.0011","90","","90","","90","","3981.3","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H22 B F4 Fe O2 P -","- C19 H22 B F4 Fe O2 P -","- C152 H176 B8 F32 Fe8 O16 P8 -","8","1","","Geeson, Michael B.; Transue, Wesley J.; Cummins, Christopher C.","Organoiron- and Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes.","Journal of the American Chemical Society","2019","141","34","13336","13340","10.1021/jacs.9b07069","","","0.71073","MoKα","","0.0511","0.0378","","","0.0966","0.1033","","","","","","1.066","","","","has coordinates","221940","2020-10-21","18:00:00",""
"4128914","12.7437","0.0004","31.7874","0.0007","32.5089","0.001","90","","90","","90","","13169","0.6","170.15","","170.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C81 H62 O10 -","- C81 H62 O10 -","- C648 H496 O80 -","8","1","","Li, Qi; Zhu, Huangtianzhi; Huang, Feihe","Alkyl Chain Length-Selective Vapor-Induced Fluorochromism of Pillar[5]arene-Based Nonporous Adaptive Crystals.","Journal of the American Chemical Society","2019","141","34","13290","13294","10.1021/jacs.9b05054","","","0.71073","MoKα","","0.1251","0.0957","","","0.2515","0.2745","","","","","","1.143","","","","has coordinates,has disorder","221950","2020-10-21","18:00:00",""
"4128926","11.481","0.002","22.243","0.004","29.998","0.006","90","","90","","90","","7661","2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclo[1]N2,N6-bis(6-(1H-imidazol-1-yl)pyridin-2-yl)-N2,N6-dimethylpyridine-2,6-diamine[1](1,4-dimethylenebenzene)_ 2 HCO3-_dioxane_2 H2O","","","- C37 H43 N9 O10 -","- C37 H39 N9 O10 -","- C296 H312 N72 O80 -","8","1","","Yang, Jian; Dong, Chao-Chen; Chen, Xu-Lang; Sun, Xin; Wei, Jin-Yan; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan","Excimer Disaggregation Enhanced Emission: A Fluorescence ""Turn-On"" Approach to Oxoanion Recognition.","Journal of the American Chemical Society","2019","141","11","4597","4612","10.1021/jacs.8b09021","","","0.71073","MoKα","","0.1396","0.0962","","","0.187","0.2088","","","","","","1.017","","","","has coordinates","221962","2020-10-21","18:00:00",""
"4129003","17.4002","0.0004","20.7307","0.0005","23.4789","0.0006","90","","90","","90","","8469.3","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 -","- C47 H64 Co N3 -","- C376 H512 Co8 N24 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0878","0.0633","","","0.1493","0.1613","","","","","","1.082","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129008","17.3101","0.0007","20.4836","0.0008","23.4544","0.0011","90","","90","","90","","8316.3","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H65 Co N O -","- C47 H65 Co N O -","- C376 H520 Co8 N8 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.1028","0.0593","","","0.1408","0.16","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129009","17.4228","0.0007","20.6348","0.0009","23.3437","0.0011","90","","90","","90","","8392.4","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H64 Co N3 O -","- C47 H64 Co N3 O -","- C376 H512 Co8 N24 O8 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","0.71073","MoKα","","0.0978","0.0743","","","0.1637","0.1758","","","","","","1.062","","","","has coordinates,has disorder","222017","2020-10-21","18:00:00",""
"4129010","18.4221","0.0006","17.1331","0.0004","36.3469","0.001","90","","90","","90","","11472.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H89 Co N2 O2 Si2 -","- C60 H89 Co N2 O2 Si2 -","- C480 H712 Co8 N16 O16 Si16 -","8","1","","Mokhtarzadeh, Charles C.; Chan, Chinglin; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","Side-On Coordination of Nitrous Oxide to a Mononuclear Cobalt Center.","Journal of the American Chemical Society","2019","141","38","15003","15007","10.1021/jacs.9b08241","","x-ray","1.54178","CuKα","","0.0879","0.0472","","","0.0906","0.1047","","","","","","1.022","","","","has coordinates","222017","2020-10-21","18:00:00",""
"4129028","16.4476","0.0003","24.3351","0.0004","40.0869","0.0005","90","","90","","90","","16044.9","0.4","107","2","107","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48.5 H45 N4 Ni O P -","- C48.5 H45 N4 Ni O P -","- C776 H720 N64 Ni16 O16 P16 -","16","2","","Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi","Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.","Journal of the American Chemical Society","2019","141","12","4800","4805","10.1021/jacs.8b13169","","","0.71073","MoKα","","0.0654","0.0457","","","0.1215","0.138","","","","","","1.093","","","","has coordinates,has disorder","254431","2020-10-21","18:00:00",""
"4129065","12.98637","0.00007","11.75812","0.00008","11.72942","0.00008","90","","90","","90","","1791.03","0.02","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Me-AZADO_dimer","","","- C10 H16 N O -","- C10 H16 N O -","- C80 H128 N8 O8 -","8","1","","Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael","Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09533","powder diffraction","x-ray","0.4146","synchrotron","","","","","","","","0.20328","","1.78","","","","","","","has coordinates","223256","2020-10-21","18:00:00",""
"4129198","11.4397","0.0004","8.1352","0.0003","37.4815","0.0015","90","","90","","90","","3488.2","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Qi-Liang; Xing, Yi-Kang; Wang, Xiang-Yang; Ma, Hong-Xing; Weng, Xin-Jun; Yang, Xiang; Guo, Hai-Ming; Mei, Tian-Sheng","Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11915","","","0.71073","MoKα","","0.0555","0.0401","","","0.1002","0.1125","","","","","","1.037","","","","has coordinates","231160","2020-10-21","18:00:00",""
"4129219","18.284","0.014","12.623","0.01","20.466","0.016","90","","90","","90","","4724","6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H8 Al F15 O2 -","- C23 H8 Al F15 O2 -","- C184 H64 Al8 F120 O16 -","8","1","","Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Single-site anionic polymerization. Monomeric ester enolaluminate propagator synthesis, molecular structure, and polymerization mechanism.","Journal of the American Chemical Society","2005","127","3","961","974","10.1021/ja044671z","","","0.71073","MoKα","","0.0636","0.0344","","","0.0812","0.0908","","","","","","0.632","","","","has coordinates","240001","2020-10-21","18:00:00",""
"4129284","15.2219","0.0008","7.3672","0.0003","20.4067","0.0009","90","","90","","90","","2288.46","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5b","","","- C11 H9 N3 O5 -","- C11 H9 N3 O5 -","- C88 H72 N24 O40 -","8","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0445","0.0384","","","0.0986","0.1042","","","","","","1.05","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129377","21.5306","0.0017","19.8037","0.0015","31.964","0.003","90","","90","","90","","13629","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H96 Co2 K N8 O6 P3 -","- C57 H96 Co2 K N8 O6 P3 -","- C456 H768 Co16 K8 N64 O48 P24 -","8","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.12","0.0582","","","0.1203","0.141","","","","","","0.928","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129437","11.1735","0.0005","24.0997","0.001","27.9588","0.0009","90","","90","","90","","7528.7","0.5","149","2","149","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C296 H232 Cl16 F48 N8 O32 P16 S16 -","8","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0941","0.0497","","","0.1111","0.1273","","","","","","1.032","","","","has coordinates","240152","2020-10-21","18:00:00",""
"4129514","9.0007","0.0004","13.9627","0.0007","27.112","0.0011","90","","90","","90","","3407.3","0.3","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Zhang, Jitan; Chen, Hui; Lin, Cong; Liu, Zhanxiang; Wang, Chen; Zhang, Yuhong","Cobalt-Catalyzed Cyclization of Aliphatic Amides and Terminal Alkynes with Silver-Cocatalyst.","Journal of the American Chemical Society","2015","137","40","12990","12996","10.1021/jacs.5b07424","","","0.71073","MoKα","","0.0449","0.0358","","","0.0816","0.0871","","","","","","1.046","","","","has coordinates","240222","2020-10-21","18:00:00",""
"4129522","33.3092","0.0011","38.3322","0.0013","38.9657","0.0013","90","","90","","90","","49752","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C240.5 H259 Cl2 Cu25 P12 -","- C240.5 H181 Cl2 Cu25 P12 -","- C1924 H1448 Cl16 Cu200 P96 -","8","1","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.2142","0.1268","","","0.2956","0.3429","","","","","","1.104","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129527","17.65","0.002","12.8527","0.0013","19.949","0.002","90","","90","","90","","4525.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H21 Co N4 O -","- C30 H21 Co N4 O -","- C240 H168 Co8 N32 O8 -","8","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1125","0.049","","","0.0776","0.0938","","","","","","1.069","","","","has coordinates","240234","2020-10-21","18:00:00",""
"4129617","28.391","0.004","12.7043","0.0017","37.273","0.005","90","","90","","90","","13444","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C53 H74 Cl4 F6 Ir4 N4 O11 S2 -","- C49 H64 Cl4 F6 Ir4 N4 O10 S2 -","- C392 H512 Cl32 F48 Ir32 N32 O80 S16 -","8","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0841","0.069","","","0.1351","0.1399","","","","","","1.181","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129722","11.91397","0.00013","25.1896","0.0003","26.0022","0.0003","90","","90","","90","","7803.47","0.15","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C280 H448 Br16 Cl16 N32 O16 Zn16 -","8","1","","Garden, Jennifer A.; Saini, Prabhjot K.; Williams, Charlotte K.","Greater than the Sum of Its Parts: A Heterodinuclear Polymerization Catalyst.","Journal of the American Chemical Society","2015","137","48","15078","15081","10.1021/jacs.5b09913","","","0.71073","MoKα","","0.0515","0.0315","","","0.0685","0.0733","","","","","","1.04","","","","has coordinates","240390","2020-10-21","18:00:00",""
"4129736","11.832","0.0001","20.1684","0.0002","25.0196","0.0003","90","","90","","90","","5970.49","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Ni O2 P2 Si -","- C30 H42 Ni O2 P2 Si -","- C240 H336 Ni8 O16 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0305","0.0279","","","0.0768","0.079","","","","","","1.016","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129804","14.654","0.003","7.559","0.002","31.389","0.005","90","","90","","90","","3476.9","1.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0943","0.0458","","","0.0794","0.089","","","","","","1.003","","","","has coordinates","240457","2020-10-21","18:00:00",""
"4129864","10.0498","0.0004","12.6817","0.0005","30.279","0.0013","90","","90","","90","","3859","0.3","88","2","88","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C192 H256 O24 -","8","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0401","0.0372","","","0.0985","0.1013","","","","","","1.021","","","","has coordinates","240516","2020-10-21","18:00:00",""
"4129955","25.347","0.004","19.541","0.003","30.42","0.004","90","","90","","90","","15067","4","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C66 H116 Fe3 K N6 O9 Si3 -","- C66 H116 Fe3 K N6 O9 Si3 -","- C528 H928 Fe24 K8 N48 O72 Si24 -","8","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.096","0.0563","","","0.1366","0.1608","","","","","","1.035","","","","has coordinates,has disorder","240572","2020-10-21","18:00:00",""
"4130014","11.72284","0.00019","14.8569","0.0002","28.5647","0.0005","90","","90","","90","","4974.97","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","McQuilken, Alison C.; Matsumura, Hirotoshi; Dürr, Maximilian; Confer, Alex M.; Sheckelton, John P.; Siegler, Maxime A.; McQueen, Tyrel M.; Ivanović-Burmazović, Ivana; Moënne-Loccoz, Pierre; Goldberg, David P.","Photoinitiated Reactivity of a Thiolate-Ligated, Spin-Crossover Nonheme {FeNO}(7) Complex with Dioxygen.","Journal of the American Chemical Society","2016","138","9","3107","3117","10.1021/jacs.5b12741","","","1.54178","CuKα","","0.0637","0.049","","","0.1372","0.1496","","","","","","1.028","","","","has coordinates,has disorder","240608","2020-10-21","18:00:00",""
"4130043","11.723","0.002","16.048","0.003","28.56","0.006","90","","90","","90","","5373","1.8","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H42 Mn N O2 P2 -","- C25 H42 Mn N O2 P2 -","- C200 H336 Mn8 N8 O16 P16 -","8","1","","Nerush, Alexander; Vogt, Matthias; Gellrich, Urs; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David","Template Catalysis by Metal-Ligand Cooperation. C-C Bond Formation via Conjugate Addition of Non-activated Nitriles under Mild, Base-free Conditions Catalyzed by a Manganese Pincer Complex.","Journal of the American Chemical Society","2016","138","22","6985","6997","10.1021/jacs.5b13208","","","0.71073","MoKα","","0.0492","0.0365","","","0.0929","0.0994","","","","","","1.051","","","","has coordinates","240636","2020-10-21","18:00:00",""
"4130085","8.8093","0.0014","18.443","0.002","31.202","0.005","90","","90","","90","","5069.4","1.3","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H28 N4 O4 -","- C27 H28 N4 O4 -","- C216 H224 N32 O32 -","8","1","","Dai, Jianxin; Wang, Minyan; Chai, Guobi; Fu, Chunling; Ma, Shengming","A Practical Solution to Stereodefined Tetrasubstituted Olefins.","Journal of the American Chemical Society","2016","138","8","2532","2535","10.1021/jacs.6b00051","","","0.71073","MoKα","","0.1528","0.0952","","","0.2182","0.2569","","","","","","1.04","","","","has coordinates","240663","2020-10-21","18:00:00",""
"4130121","19.549","0.002","8.1172","0.0008","19.927","0.002","90","","90","","90","","3162.1","0.5","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","34","1,5-dioxa[5](3,3"")p-terphenylophane","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","1","","Mitra, Nirmal K.; Meudom, Rolande; Corzo, Hector H.; Gorden, John D.; Merner, Bradley L.","Overcoming Strain-Induced Rearrangement Reactions: A Mild Dehydrative Aromatization Protocol for Synthesis of Highly Distorted p-Phenylenes.","Journal of the American Chemical Society","2016","138","9","3235","3240","10.1021/jacs.6b00538","","","0.71073","MoKα","","0.0725","0.0602","","","0.107","0.112","","","","","","1.212","","","","has coordinates","240685","2020-10-21","18:00:00",""
"4130129","14.1029","0.0002","10.42061","0.00015","16.6896","0.0002","90","","90","","90","","2452.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","1","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0431","0.0354","","","0.0952","0.1009","","","","","","1.042","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130188","15.4073","0.0009","13.5221","0.0016","20.4502","0.0016","90","","90","","90","","4260.6","0.7","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 -","- C13 H12 N2 -","- C208 H192 N32 -","16","2","","White, Paul B.; Jaworski, Jonathan N.; Fry, Charles G.; Dolinar, Brian S.; Guzei, Ilia A.; Stahl, Shannon S.","Structurally Diverse Diazafluorene-Ligated Palladium(II) Complexes and Their Implications for Aerobic Oxidation Reactions.","Journal of the American Chemical Society","2016","138","14","4869","4880","10.1021/jacs.6b01188","","x-ray","1.54178","CuKα","","0.041","0.0376","","","0.0923","0.095","","","","","","1.044","","","","has coordinates","240726","2020-10-21","18:00:00",""
"4130202","11.8131","0.001","12.9608","0.0011","26.409","0.002","90","","90","","90","","4043.4","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 B10 Ir S2 -","- C12 H25 B10 Ir S2 -","- C96 H200 B80 Ir8 S16 -","8","1","","Zhang, Xiaolei; Dai, Huimin; Yan, Hong; Zou, Wenli; Cremer, Dieter","B-H···π Interaction: A New Type of Nonclassical Hydrogen Bonding.","Journal of the American Chemical Society","2016","138","13","4334","4337","10.1021/jacs.6b01249","","","0.71073","MoKα","","0.0431","0.0252","","","0.0592","0.0637","","","","","","1.006","","","","has coordinates","240732","2020-10-21","18:00:00",""
"4130333","19.9415","0.0005","18.3839","0.0005","22.7755","0.0006","90","","90","","90","","8349.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H50 F4 N4 Ni -","- C48 H50 F4 N4 Ni -","- C384 H400 F32 N32 Ni8 -","8","1","","Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo","Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.","Journal of the American Chemical Society","2016","138","16","5250","5253","10.1021/jacs.6b02337","","","0.71073","MoKα","","0.073","0.0454","","","0.1092","0.1246","","","","","","1.028","","","","has coordinates,has disorder","240802","2020-10-21","18:00:00",""
"4130391","12.3528","0.0001","25.5555","0.0002","38.3682","0.0003","90","","90","","90","","12112.2","0.17","123","0.1","123","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H28 F8 I2 N2 O6 S -","- C21.008 H28.012 F8 I2 N2 O6.003 S -","- C336.128 H448.192 F128 I32 N32 O96.048 S16 -","16","2","","Topić, Filip; Rissanen, Kari","Systematic Construction of Ternary Cocrystals by Orthogonal and Robust Hydrogen and Halogen Bonds.","Journal of the American Chemical Society","2016","138","20","6610","6616","10.1021/jacs.6b02854","","","0.71073","MoKα","","0.0505","0.0393","","","0.083","0.0876","","","","","","1.056","","","","has coordinates,has disorder","240833","2020-10-21","18:00:00",""
"4130400","24.8814","0.0006","20.0338","0.0005","29.5126","0.0007","90","","90","","90","","14711.1","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C35.25 H33.75 Cl2 N4.75 O3.5 Ru -","- C564 H540 Cl32 N76 O56 Ru16 -","16","2","","Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu","Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.","Journal of the American Chemical Society","2016","138","18","5817","5820","10.1021/jacs.6b02923","","","1.54178","CuKα","","0.0506","0.0477","","","0.1329","0.1361","","","","","","1.093","","","","has coordinates,has disorder","240841","2020-10-21","18:00:00",""
"4130557","9.4441","0.0017","9.3924","0.0018","44.328","0.008","90","","90","","90","","3932","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 Cl N2 O -","- C23 H21 Cl N2 O -","- C184 H168 Cl8 N16 O8 -","8","1","","Gerry, Christopher J.; Hua, Bruce K.; Wawer, Mathias J.; Knowles, Jonathan P.; Nelson, Jr, Shawn D; Verho, Oscar; Dandapani, Sivaraman; Wagner, Bridget K.; Clemons, Paul A.; Booker-Milburn, Kevin I; Boskovic, Zarko V.; Schreiber, Stuart L.","Real-Time Biological Annotation of Synthetic Compounds.","Journal of the American Chemical Society","2016","138","28","8920","8927","10.1021/jacs.6b04614","","","0.71073","MoKα","","0.0803","0.057","","","0.1104","0.1183","","","","","","1.129","","","","has coordinates,has disorder","240966","2020-10-21","18:00:00",""
"4130604","6.9622","0.0004","17.2426","0.0011","27.5809","0.0015","90","","90","","90","","3311","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Krishna, Gamidi Rama; Devarapalli, Ramesh; Lal, Garima; Reddy, C. Malla","Mechanically Flexible Organic Crystals Achieved by Introducing Weak Interactions in Structure: Supramolecular Shape Synthons.","Journal of the American Chemical Society","2016","138","41","13561","13567","10.1021/jacs.6b05118","","","0.71073","MoKα","","0.0534","0.0415","","","0.1081","0.1181","","","","","","1.056","","","","has coordinates","241005","2020-10-21","18:00:00",""
"4130693","7.5991","0.0003","18.8542","0.0009","20.2166","0.0011","90","","90","","90","","2896.5","0.2","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C112 H136 Cl8 N16 O24 -","8","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0824","0.0663","","","0.185","0.207","","","","","","1.074","","","","has coordinates","241081","2020-10-21","18:00:00",""
"4130738","14.8092","0.0003","18.0751","0.0003","25.1097","0.0004","90","","90","","90","","6721.3","0.2","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Z)-(2-(di-p-tolylmethoxy)prop-1-en-1-yl)triphenylphosphonium trifluoromethanesulfonate","","- C37 H34 F3 O4 P S -","- C37 H34 F3 O4 P S -","- C296 H272 F24 O32 P8 S8 -","8","1","","Byrne, Peter A.; Karaghiosoff, Konstantin; Mayr, Herbert","Ambident Reactivity of Acetyl- and Formyl-Stabilized Phosphonium Ylides.","Journal of the American Chemical Society","2016","138","35","11272","11281","10.1021/jacs.6b06264","","","0.71073","MoKα","","0.06","0.0396","","","0.0901","0.1017","","","","","","1.022","","","","has coordinates","241117","2020-10-21","18:00:00",""
"4130803","8.2625","0.0005","13.7282","0.0008","32.2865","0.0019","90","","90","","90","","3662.2","0.4","193","2","193","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Au I P -","- C17 H23 Au I P -","- C136 H184 Au8 I8 P8 -","8","1","","Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","β-Hydride Elimination at Low-Coordinate Gold(III) Centers.","Journal of the American Chemical Society","2016","138","36","11920","11929","10.1021/jacs.6b07035","","x-ray","0.71073","MoKα","","0.0519","0.0477","","","0.2184","0.2209","","","","","","1.901","","","","has coordinates","241168","2020-10-21","18:00:00",""
"4130825","16.8624","0.0011","18.8653","0.0013","22.9188","0.0016","90","","90","","90","","7290.8","0.9","110","2","110","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H41 B2 F8 Fe N7 O4 -","- C32 H41 B2 F8 Fe N7 O4 -","- C256 H328 B16 F64 Fe8 N56 O32 -","8","1","","Lu, Deng-Fu; Zhu, Cheng-Liang; Sears, Jeffrey D.; Xu, Hao","Iron(II)-Catalyzed Intermolecular Aminofluorination of Unfunctionalized Olefins Using Fluoride Ion.","Journal of the American Chemical Society","2016","138","35","11360","11367","10.1021/jacs.6b07221","","","0.71073","MoKα","","0.0535","0.0436","","","0.1174","0.1261","","","","","","1.02","","","","has coordinates","241185","2020-10-21","18:00:00",""
"4130880","7.45956","0.00014","16.6803","0.0002","16.8248","0.0004","90","","90","","90","","2093.47","0.07","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au F3 N -","- C12 H9 Au F3 N -","- C96 H72 Au8 F24 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0463","0.0299","","","0.0595","0.0676","","","","","","1.09","","","","has coordinates","241238","2020-10-21","18:00:00",""
"4130885","7.8063","0.0001","17.0746","0.0003","17.892","0.0003","90","","90","","90","","2384.81","0.07","160","2","160","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Au Cl2 F N -","- C12 H9 Au Cl2 F N -","- C96 H72 Au8 Cl16 F8 N8 -","8","1","","Kumar, Roopender; Linden, Anthony; Nevado, Cristina","Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.","Journal of the American Chemical Society","2016","138","42","13790","13793","10.1021/jacs.6b07763","","","0.71073","MoKα","","0.0375","0.0257","","","0.0535","0.0582","","","","","","1.075","","","","has coordinates","241243","2020-10-21","18:00:00",""
"4130994","9.2982","0.0005","17.6122","0.0011","25.4699","0.0015","90","","90","","90","","4171","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C184 H216 N8 O32 S8 -","8","1","","Wang, Gang-Wei; McCreanor, Niall G.; Shaw, Megan H.; Whittingham, William G.; Bower, John F.","New Initiation Modes for Directed Carbonylative C-C Bond Activation: Rhodium-Catalyzed (3 + 1 + 2) Cycloadditions of Aminomethylcyclopropanes.","Journal of the American Chemical Society","2016","138","41","13501","13504","10.1021/jacs.6b08608","","","0.71073","MoKα","","0.0911","0.0487","","","0.1015","0.1203","","","","","","1.027","","","","has coordinates,has disorder","241315","2020-10-21","18:00:00",""
"4131012","19.6169","0.0018","27.203","0.003","37.155","0.004","90","","90","","90","","19827","4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C108 H102 Ag4 N2 P4 -","- C108 H102 Ag4 N2 P4 -","- C864 H816 Ag32 N16 P32 -","8","1","","Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.","Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.","Journal of the American Chemical Society","2016","138","41","13732","13739","10.1021/jacs.6b08674","","","0.71073","MoKα","","0.0739","0.055","","","0.13","0.1469","","","","","","1.211","","","","has coordinates","241331","2020-10-21","18:00:00",""
"4131159","14.9798","0.0002","13.0128","0.0002","19.5957","0.0002","90","","90","","90","","3819.77","0.09","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 B N6 Ni -","- C21 H18 B N6 Ni -","- C168 H144 B8 N48 Ni8 -","8","1","","Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.","Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.","Journal of the American Chemical Society","2016","138","49","16105","16111","10.1021/jacs.6b10350","","","1.54184","CuKα","","0.0501","0.045","","","0.1171","0.1257","","","","","","1.073","","","","has coordinates","241439","2020-10-21","18:00:00",""
"4131184","18.21","0.03","18.2","0.03","24.12","0.04","90","","90","","90","","7994","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H66 Br3 In P2 Pt -","- C36 H66 Br3 In P2 Pt -","- C288 H528 Br24 In8 P16 Pt8 -","8","1","","Bertermann, Rüdiger; Böhnke, Julian; Braunschweig, Holger; Dewhurst, Rian D.; Kupfer, Thomas; Muessig, Jonas H.; Pentecost, Leanne; Radacki, Krzysztof; Sen, Sakya S.; Vargas, Alfredo","Dynamic, Reversible Oxidative Addition of Highly Polar Bonds to a Transition Metal.","Journal of the American Chemical Society","2016","138","49","16140","16147","10.1021/jacs.6b10609","","","0.71073","MoKα","","0.03","0.0239","","","0.0606","0.0641","","","","","","1.034","","","","has coordinates","241459","2020-10-21","18:00:00",""
"4131230","20.5502","0.0007","7.9367","0.0003","37.7229","0.0014","90","","90","","90","","6152.6","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H30 N4 O -","- C42 H30 N4 O -","- C336 H240 N32 O8 -","8","1","","Tsujimoto, Hiroyuki; Ha, Dong-Gwang; Markopoulos, Georgios; Chae, Hyun Sik; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence and Aggregation Induced Emission with Through-Space Charge Transfer.","Journal of the American Chemical Society","2017","139","13","4894","4900","10.1021/jacs.7b00873","","","0.71073","MoKα","","0.0596","0.0465","","","0.1227","0.1327","","","","","","1.052","","","","has coordinates","241484","2020-10-21","18:00:00",""
"4131237","18.901","0.004","11.782","0.002","23.68","0.005","90","","90","","90","","5273.3","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H14 Br4 N2 Pb -","- C4 H14 Br4 N2 Pb -","- C64 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.","White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.","Journal of the American Chemical Society","2017","139","14","5210","5215","10.1021/jacs.7b01312","","","0.71073","MoKα","","0.1366","0.0789","","","0.1415","0.1628","","","","","","1.09","","","","has coordinates","241489","2020-10-21","18:00:00",""
"4131297","16.218","0.0008","20.5475","0.0009","24.1827","0.0009","90","","90","","90","","8058.6","0.6","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H60 N O4 P Pd -","- C45 H60 N O4 P Pd -","- C360 H480 N8 O32 P8 Pd8 -","8","1","","Yadav, M. Ramu; Nagaoka, Masahiro; Kashihara, Myuto; Zhong, Rong-Lin; Miyazaki, Takanori; Sakaki, Shigeyoshi; Nakao, Yoshiaki","The Suzuki-Miyaura Coupling of Nitroarenes.","Journal of the American Chemical Society","2017","139","28","9423","9426","10.1021/jacs.7b03159","","","0.71075","MoKα","","0.0401","0.0348","","","0.0839","0.0876","","","","","","1.042","","","","has coordinates","241529","2020-10-21","18:00:00",""
"4131320","21.9571","0.001","18.7784","0.0009","25.3992","0.0011","90","","90","","90","","10472.6","0.8","120","","120","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C53 H67 Br Cl Fe N3 Nb O2 P3 -","- C424 H536 Br8 Cl8 Fe8 N24 Nb8 O16 P24 -","8","1","","Culcu, Gursu; Iovan, Diana A.; Krogman, Jeremy P.; Wilding, Matthew J. T.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Complexes Comprised of Nb and Fe: Isolation of a Coordinatively Unsaturated Nb<sup>III</sup>/Fe<sup>0</sup> Bimetallic Complex Featuring a Nb≡Fe Triple Bond.","Journal of the American Chemical Society","2017","139","28","9627","9636","10.1021/jacs.7b04151","","","0.71073","MoKα","","0.0675","0.0392","","0.1045","0.0829","0.1045","","","","","","1.0211","","","","has coordinates,has disorder","241550","2020-10-21","18:00:00",""
"4131355","18.5403","0.0004","22.3875","0.0005","28.9019","0.0007","90","","90","","90","","11996.3","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H52 B Fe N3 O2 P2 -","- C25 H52 B Fe N3 O2 P2 -","- C400 H832 B16 Fe16 N48 O32 P32 -","16","2","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.1051","0.0453","","","0.0414","0.0474","","","","1.58","1.58","1.33","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131381","10.6254","0.001","17.428","0.002","21.959","0.002","90","","90","","90","","4066.4","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","71452-149","gene959","","- C25 H23 F O2 -","- C25 H23 F O2 -","- C200 H184 F8 O16 -","8","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.1","0.0493","","","0.1142","0.1493","","","","","","1.014","","","","has coordinates","241602","2020-10-21","18:00:00",""
"4131425","16.80637","0.00013","14.39046","0.0001","18.03556","0.00014","90","","90","","90","","4361.93","0.06","85","2","85","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 F5 P Pd -","- C20 H32 F5 P Pd -","- C160 H256 F40 P8 Pd8 -","8","1","","Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.","Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.","Journal of the American Chemical Society","2017","139","34","11662","11665","10.1021/jacs.7b05216","","","1.54184","CuKα","","0.0235","0.0235","","","0.0598","0.0598","","","","","","1.093","","","","has coordinates","241631","2020-10-21","18:00:00",""
"4131456","18.4342","0.001","19.3195","0.0012","21.7657","0.0012","90","","90","","90","","7751.6","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H60 N2 Ni Si2 -","- C37 H60 N2 Ni Si2 -","- C296 H480 N16 Ni8 Si16 -","8","1","","Elsby, Matthew R.; Johnson, Samuel A.","Nickel-Catalyzed C-H Silylation of Arenes with Vinylsilanes: Rapid and Reversible β-Si Elimination.","Journal of the American Chemical Society","2017","139","27","9401","9407","10.1021/jacs.7b05574","","","0.71073","MoKα","","0.0768","0.0422","","","0.0847","0.0979","","","","","","1.019","","","","has coordinates","241654","2020-10-21","18:00:00",""
"4131574","19.0961","0.0016","33.161","0.003","34.712","0.003","90","","90","","90","","21981","3","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C116.5 H88.26 Co4 N28.25 O8 -","- C116.584 H88.408 Co4 N28.292 O8 -","- C932.672 H707.264 Co32 N226.336 O64 -","8","1","","Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.","Putting a New Spin on Supramolecular Metallacycles: Co<sub>3</sub> Triangle and Co<sub>4</sub> Square Bearing Tetrazine-Based Radicals as Bridges.","Journal of the American Chemical Society","2017","139","32","11040","11043","10.1021/jacs.7b06925","","x-ray","0.71073","MoKα","K-L~3~","0.1228","0.0876","","","0.1854","0.2024","","","","","","1.165","","","","has coordinates,has disorder","241752","2020-10-21","18:00:00",""
"4131621","12.0069","0.0002","13.087","0.0002","21.3835","0.0003","90","","90","","90","","3360.08","0.09","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0685","0.0575","","","0.1511","0.1618","","","","","","1.027","","","","has coordinates","241797","2020-10-21","18:00:00",""
"4131632","7.086","0.0005","16.5585","0.001","32.23","0.002","90","","90","","90","","3781.7","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","SKI-138C","sarpong86","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","1","","Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond","A Unifying Synthesis Approach to the C<sub>18</sub>-, C<sub>19</sub>-, and C<sub>20</sub>-Diterpenoid Alkaloids.","Journal of the American Chemical Society","2017","139","39","13882","13896","10.1021/jacs.7b07706","","","1.54178","CuKα","","0.0937","0.0784","","","0.2156","0.2289","","","","","","1.032","","","","has coordinates","241808","2020-10-21","18:00:00",""
"4131717","13.9532","0.0009","12.0587","0.0007","20.2467","0.0012","90","","90","","90","","3406.7","0.4","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0492","0.0429","","","0.1505","0.157","","","","","","1.304","","","","has coordinates","241886","2020-10-21","18:00:00",""
"4131756","7.6381","0.0008","19.931","0.002","20.56","0.002","90","","90","","90","","3130","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TriPO-C","","","- C21 H15 N O -","- C21 H15 N O -","- C168 H120 N8 O8 -","8","1","","Wang, Jianguo; Gu, Xinggui; Zhang, Pengfei; Huang, Xiaobo; Zheng, Xiaoyan; Chen, Ming; Feng, Haitao; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Ionization and Anion-π<sup>+</sup> Interaction: A New Strategy for Structural Design of Aggregation-Induced Emission Luminogens.","Journal of the American Chemical Society","2017","139","46","16974","16979","10.1021/jacs.7b10150","","","0.71073","MoKα","","0.0935","0.0649","","","0.1289","0.1411","","","","","","1.099","","","","has coordinates","241924","2020-10-21","18:00:00",""
"4131777","19.038","0.0002","27.4178","0.0003","29.8069","0.0003","90","","90","","90","","15558.6","0.3","120.01","0.1","120.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C90 H94 Bi N2 O S4 Si2 -","- C90 H94 Bi N2 O S4 Si2 -","- C720 H752 Bi8 N16 O8 S32 Si16 -","8","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","1.54184","CuKα","","0.0567","0.0481","","","0.1428","0.1503","","","","","","1.125","","","","has coordinates,has disorder","241933","2020-10-21","18:00:00",""
"4131787","26.281","0.0014","29.462","0.0016","18.3223","0.001","90","","90","","90","","14186.8","1.3","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C73 H70 B F15 Mg N6 Si3 -","- C73 H70 B F15 Mg N6 Si3 -","- C584 H560 B8 F120 Mg8 N48 Si24 -","8","1","","Rauch, Michael; Parkin, Gerard","Zinc and Magnesium Catalysts for the Hydrosilylation of Carbon Dioxide.","Journal of the American Chemical Society","2017","139","50","18162","18165","10.1021/jacs.7b10776","","","0.71073","MoKα","","0.143","0.0616","","","0.1274","0.158","","","","","","1.09","","","","has coordinates","241939","2020-10-21","18:00:00",""
"4131965","10.4132","0.0003","13.5716","0.0003","29.547","0.0008","90","","90","","90","","4175.69","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N5 O8 S2 -","- C18 H21 N5 O8 S2 -","- C144 H168 N40 O64 S16 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0412","0.0346","","","0.084","0.0879","","","","","","1.047","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4132069","14.0318","0.0003","15.674","0.0003","33.3126","0.0006","90","","90","","90","","7326.6","0.2","100","2","100.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H118 Fe2 P2 Si2 -","- C82 H118 Fe2 P2 Si2 -","- C328 H472 Fe8 P8 Si8 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0481","0.0353","","","0.0845","0.0916","","","","","","1.036","","","","has coordinates,has disorder","242111","2020-10-21","18:00:00",""
"4132122","19.4006","0.001","25.4448","0.0014","25.5338","0.0012","90","","90","","90","","12604.6","1.1","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H83 F7 N O4 P Pd S -","- C63 H83 F7 N O4 P Pd S -","- C504 H664 F56 N8 O32 P8 Pd8 S8 -","8","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common Soluble Base in C-N Coupling.","Journal of the American Chemical Society","2018","140","13","4721","4725","10.1021/jacs.8b01696","","","1.54178","CuKα","","0.1013","0.0542","","","0.1291","0.1626","","","","","","1.029","","","","has coordinates,has disorder","242165","2020-10-21","18:00:00",""
"4132157","11.5962","0.0005","14.1871","0.0007","21.2925","0.0009","90","","90","","90","","3503","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0562","0.0425","","","0.0997","0.1077","","","","","","1.062","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132166","8.2294","0.001","18.282","0.002","22.361","0.003","90","","90","","90","","3364.2","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","nv723","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0575","0.047","","","0.1224","0.1303","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132239","19.3814","0.0003","16.8448","0.0003","21.1946","0.0003","90","","90","","90","","6919.52","0.19","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H44 Si6 -","- C32 H44 Si6 -","- C256 H352 Si48 -","8","1","","Marro, Eric A.; Press, Eric M.; Siegler, Maxime A.; Klausen, Rebekka S.","Directional Building Blocks Determine Linear and Cyclic Silicon Architectures.","Journal of the American Chemical Society","2018","140","18","5976","5986","10.1021/jacs.8b02541","","","0.71073","MoKα","","0.0382","0.0302","","","0.0742","0.0787","","","","","","1.075","","","","has coordinates","242240","2020-10-21","18:00:00",""
"4132318","18.5406","0.0005","24.8594","0.0006","19.5832","0.0005","90","","90","","90","","9026.1","0.4","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C280 H512 B8 K8 Mo8 N48 O88 Si4 -","4","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0611","0.0296","","","0.0475","0.0515","","","","","","0.83","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132323","14.502","0.004","16.495","0.004","24.257","0.006","90","","90","","90","","5803","3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 O5 Si -","- C28 H48 O5 Si -","- C224 H384 O40 Si8 -","8","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.1187","0.0761","","","0.1818","0.2142","","","","","","1.061","","","","has coordinates,has disorder","242309","2020-10-21","18:00:00",""
"4132367","10.3789","0.0002","8.0553","0.0002","29.9399","0.0007","90","","90","","90","","2503.13","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0543","0.045","","","0.1063","0.1132","","","","","","1.057","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132368","10.1733","0.0002","9.2676","0.0002","26.9341","0.0008","90","","90","","90","","2539.4","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0621","0.0463","","","0.1053","0.1151","","","","","","1.031","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132383","13.6466","0.0003","9.3168","0.0002","27.5704","0.0007","90","","90","","90","","3505.37","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.0761","0.0615","","","0.1617","0.1853","","","","","","1.183","","","","has coordinates","242366","2020-10-21","18:00:00",""
"4132432","12.0886","0.0006","13.2869","0.0011","26.5089","0.0013","90","","90","","90","","4257.9","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C168 H216 N16 O16 P8 Ru8 -","8","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0544","0.039","","","0.0762","0.0804","","","","","","1.074","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132513","20.9189","0.0002","17.0445","0.0002","26.4122","0.0003","90","","90","","90","","9417.33","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H67 Au F5 N O4 -","- C48 H67 Au F5 N O4 -","- C384 H536 Au8 F40 N8 O32 -","8","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71075","MoKα","","0.0819","0.061","","","0.1428","0.1547","","","","","","1.034","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132656","16.882","0.003","11.9432","0.0019","30.22","0.005","90","","90","","90","","6093.1","1.8","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H51 Hf N3 Si -","- C27 H51 Hf N3 Si -","- C216 H408 Hf8 N24 Si8 -","8","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0322","0.0238","","","0.0543","0.0592","","","","","","1.104","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132664","19.425","0.006","21.843","0.008","25.309","0.008","90","","90","","90","","10739","6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H68 B2 Br4 N6 -","- C50 H68 B2 Br4 N6 -","- C400 H544 B16 Br32 N48 -","8","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0582","0.033","","","0.0724","0.0834","","","","","","1.017","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132713","7.9565","0.0011","15.697","0.002","24.285","0.003","90","","90","","90","","3033","0.7","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Me2fBPDC","","- C16 H6 F8 O4 -","- C16 H6 F8 O4 -","- C128 H48 F64 O32 -","8","1","","Ji, Pengfei; Drake, Tasha; Murakami, Akiko; Oliveres, Pau; Skone, Jonathan H.; Lin, Wenbin","Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies.","Journal of the American Chemical Society","2018","140","33","10553","10561","10.1021/jacs.8b05765","","","0.41328","synchrotron","","0.0436","0.0366","","","0.0943","0.1003","","","","","","1.049","","","","has coordinates","242633","2020-10-21","18:00:00",""
"4132739","16.5007","0.0011","12.171","0.0007","18.2951","0.0012","90","","90","","90","","3674.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 Cl12 Si4 -","- C2 Cl12 Si4 -","- C16 Cl96 Si32 -","8","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.043","0.0353","","","0.0889","0.093","","","","","","1.017","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132798","6.69","0.002","14.091","0.004","31.349","0.011","90","","90","","90","","2955.2","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0707","0.0458","","","0.1122","0.1275","","","","","","1.021","","","","has coordinates","242698","2020-10-21","18:00:00",""
"4132800","18.2222","0.0016","17.2648","0.0015","16.207","0.0014","90","","90","","90","","5098.8","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38 B N O2 -","- C28 H38 B N O2 -","- C224 H304 B8 N8 O16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0552","0.0476","","","0.1158","0.1204","","","","","","1.047","","","","has coordinates","242701","2020-10-21","18:00:00",""
"4132958","11.1866","0.0003","21.5051","0.0005","33.2328","0.0008","90","","90","","90","","7994.8","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C352 H384 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","242818","2020-10-21","18:00:00",""
"4132959","10.6043","0.0003","21.8901","0.0007","32.5434","0.0008","90","","90","","90","","7554.3","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C336 H352 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1536","0.0676","","","0.1474","0.1894","","","","","","0.996","","","","has coordinates","242819","2020-10-21","18:00:00",""
"4132962","18.041","0.003","8.9247","0.0017","21.595","0.004","90","","90","","90","","3477","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.1091","0.0577","","","0.1367","0.1657","","","","","","1.016","","","","has coordinates,has disorder","242822","2020-10-21","18:00:00",""
"4133023","29.5594","0.0009","11.4252","0.0002","32.9221","0.0008","90","","90","","90","","11118.5","0.5","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H48 B Cl3 Cu F2 N5 O -","- C63 H48 B Cl3 Cu F2 N5 O -","- C504 H384 B8 Cl24 Cu8 F16 N40 O8 -","8","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","","1.54184","CuKα","","0.1055","0.098","","","0.2528","0.2586","","","","","","1.128","","","","has coordinates,has disorder","242876","2020-10-21","18:00:00",""
"4133051","9.204","0.003","10.736","0.003","37.751","0.009","90","","90","","90","","3730.3","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N4 O4 S -","- C17 H22 N4 O4 S -","- C136 H176 N32 O32 S8 -","8","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0569","0.0478","","","0.1148","0.1191","","","","","","1.093","","","","has coordinates,has disorder","242898","2020-10-21","18:00:00",""
"4133072","7.1478","0.0007","19.364","0.002","20.976","0.002","90","","90","","90","","2903.3","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Zhang, Bing; Wei, Mufeng; Mao, Haiyan; Pei, Xiaokun; Alshmimri, Sultan A.; Reimer, Jeffrey A.; Yaghi, Omar M.","Crystalline Dioxin-Linked Covalent Organic Frameworks from Irreversible Reactions.","Journal of the American Chemical Society","2018","140","40","12715","12719","10.1021/jacs.8b08374","","x-ray","0.7288","synchrotron","","0.0438","0.0375","","","0.0963","0.1021","","","","","","1.066","","","","has coordinates","242918","2020-10-21","18:00:00",""
"4133118","16.5937","0.0015","18.4373","0.0017","19.3881","0.0018","90","","90","","90","","5931.7","0.9","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 N2 O -","- C38 H38 N2 O -","- C304 H304 N16 O8 -","8","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0962","0.0567","","","0.1261","0.1437","","","","","","1.04","","","","has coordinates","242958","2020-10-21","18:00:00",""
"4133126","19.294","0.0008","12.8245","0.0005","19.7857","0.0008","90","","90","","90","","4895.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","GaRhCl","GaRhCl","","- C22 H26 Cl3 Ga N7 Rh -","- C22 H26 Cl3 Ga N7 Rh -","- C176 H208 Cl24 Ga8 N56 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0325","0.0243","","","0.0551","0.06","","","","","","1.052","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133127","17.4625","0.0007","12.5659","0.0005","20.6692","0.0009","90","","90","","90","","4535.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GaRhMe","GaRhMe","","- C23 H28.5 Ga N7.5 Rh -","- C23 H28.5 Ga N7.5 Rh -","- C184 H228 Ga8 N60 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0219","0.0187","","","0.0445","0.0458","","","","","","1.051","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133137","8.7483","0.0007","16.381","0.0012","23.7451","0.0016","90","","90","","90","","3402.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.5","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.1314","0.0762","","","0.172","0.2003","","","","","","1.065","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133193","14.7312","0.0014","10.3767","0.001","15.206","0.0016","90","","90","","90","","2324.4","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C88 H112 O48 -","8","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","296835","2024-12-11","09:49:39",""
"4133239","11.3602","0.0013","21.871","0.002","32.332","0.004","90","","90","","90","","8033.2","1.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Cl -","- C26 H33 Cl -","- C416 H528 Cl16 -","16","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1192","0.0694","","","0.1367","0.1575","","","","","","1.028","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4133390","16.555","0.0013","11.7095","0.0002","17.7899","0.0014","90","","90","","90","","3448.6","0.4","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 Li N2 Ni -","- C16 H29 Li N2 Ni -","- C128 H232 Li8 N16 Ni8 -","8","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates","276364","2022-06-28","17:43:35",""
"4133487","8.6067","0.0012","9.8761","0.0015","21.569","0.003","90","","90","","90","","1833.4","0.5","199","2","199","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1029","0.0735","","","0.1997","0.2157","","","","","","1.094","","","","has coordinates","243256","2020-10-21","18:00:00",""
"4133488","8.6046","0.001","9.8826","0.0011","21.43","0.003","90","","90","","90","","1822.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0809","0.056","","","0.1452","0.1589","","","","","","1.041","","","","has coordinates","243257","2020-10-21","18:00:00",""
"4133489","8.6191","0.0016","9.901","0.0019","21.737","0.004","90","","90","","90","","1855","0.6","269","2","269","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1025","0.0732","","","0.199","0.2149","","","","","","1.094","","","","has coordinates","243258","2020-10-21","18:00:00",""
"4133490","8.7702","0.0018","9.952","0.002","21.743","0.004","90","","90","","90","","1897.8","0.6","310","2","310","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1024","0.0717","","","0.1967","0.2173","","","","","","1.053","","","","has coordinates","243259","2020-10-21","18:00:00",""
"4133491","8.7678","0.0017","9.943","0.002","21.634","0.004","90","","90","","90","","1886","0.6","279","2","279","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.103","0.0713","","","0.1906","0.2115","","","","","","1.058","","","","has coordinates","243260","2020-10-21","18:00:00",""
"4133492","8.6175","0.0016","9.8992","0.0019","21.74","0.004","90","","90","","90","","1854.6","0.6","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1014","0.0747","","","0.201","0.2152","","","","","","1.089","","","","has coordinates","243261","2020-10-21","18:00:00",""
"4133493","8.6168","0.0015","9.898","0.0019","21.715","0.004","90","","90","","90","","1852.1","0.6","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0974","0.0717","","","0.1987","0.2129","","","","","","1.092","","","","has coordinates","243262","2020-10-21","18:00:00",""
"4133494","8.6152","0.0015","9.8905","0.0018","21.64","0.004","90","","90","","90","","1843.9","0.6","229","2","229","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0857","0.0689","","","0.1886","0.1999","","","","","","1.085","","","","has coordinates","243263","2020-10-21","18:00:00",""
"4133495","8.6189","0.0016","9.8998","0.0019","21.717","0.004","90","","90","","90","","1853","0.6","259","2","259","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0884","0.071","","","0.1935","0.2053","","","","","","1.079","","","","has coordinates","243264","2020-10-21","18:00:00",""
"4133496","8.7703","0.0018","9.946","0.002","21.667","0.005","90","","90","","90","","1890","0.7","289","2","289","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1053","0.0726","","","0.199","0.2201","","","","","","1.068","","","","has coordinates","243265","2020-10-21","18:00:00",""
"4133497","8.6116","0.0013","9.885","0.0016","21.582","0.003","90","","90","","90","","1837.2","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.099","0.0698","","","0.187","0.2009","","","","","","1.085","","","","has coordinates","243266","2020-10-21","18:00:00",""
"4133498","8.6181","0.0015","9.8959","0.0018","21.651","0.004","90","","90","","90","","1846.5","0.6","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1027","0.0734","","","0.2004","0.2165","","","","","","1.092","","","","has coordinates","243267","2020-10-21","18:00:00",""
"4133499","8.7614","0.0017","9.9569","0.0015","21.863","0.004","90","","90","","90","","1907.2","0.6","340","2","340","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0973","0.0618","","","0.1841","0.2055","","","","","","1.061","","","","has coordinates","243268","2020-10-21","18:00:00",""
"4133500","8.7668","0.0016","9.9419","0.0019","21.658","0.004","90","","90","","90","","1887.7","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1001","0.0709","","","0.1934","0.2105","","","","","","1.046","","","","has coordinates","243270","2020-10-21","18:00:00",""
"4133519","13.0489","0.0003","15.1168","0.0004","16.9239","0.0004","90","","90","","90","","3338.37","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","175-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0489","0.0347","","","0.081","0.092","","","","","","1.07","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133522","6.905","0.0002","20.104","0.0006","22.846","0.0006","90","","90","","90","","3171.44","0.16","298","","298","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Br F5 N2 O Pd -","- C16 H8 Br F5 N2 O Pd -","- C128 H64 Br8 F40 N16 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0625","0.0364","","","0.0741","0.0843","","","","","","1.0365","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133524","7.8072","0.0003","15.7255","0.0006","32.2864","0.0016","90","","90","","90","","3963.9","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H16 F3 N3 O Pd -","- C22 H16 F3 N3 O Pd -","- C176 H128 F24 N24 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0977","0.0512","","","0.0909","0.1122","","","","","","1.065","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133544","9.67683","0.00019","11.05812","0.00017","20.5604","0.0005","90","","90","","90","","2200.12","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0573","0.0461","","","0.1144","0.1223","","","","","","1.082","","","","has coordinates","243301","2020-10-21","18:00:00",""
"4133565","17.0256","0.0008","15.8891","0.0007","32.2683","0.0015","90","","90","","90","","8729.3","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H62 N8 P2 Zr -","- C44 H62 N8 P2 Zr -","- C352 H496 N64 P16 Zr8 -","8","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.1009","0.0556","","","0.0985","0.1143","","","","","","1.062","","","","has coordinates,has disorder","243322","2020-10-21","18:00:00",""
"4133579","23.9213","0.0009","17.921","0.0007","32.1974","0.0013","90","","90","","90","","13802.8","0.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C566 H540 B16 Cl76 N32 S16 Sb8 -","8","1","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1131","0.0921","","","0.1843","0.196","","","","","","1.09","","","","has coordinates,has disorder","243334","2020-10-21","18:00:00",""
"4133604","15.8154","0.0008","21.7298","0.001","31.6007","0.0019","90","","90","","90","","10860.1","1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C49 H68 Al Br3 Ge N4 O2 Si2 -","- C392 H544 Al8 Br24 Ge8 N32 O16 Si16 -","8","1","","Wang, Yuwen; Karni, Miriam; Yao, Shenglai; Apeloig, Yitzhak; Driess, Matthias","An Isolable Bis(silylene)-Stabilized Germylone and Its Reactivity.","Journal of the American Chemical Society","2019","141","4","1655","1664","10.1021/jacs.8b11605","","","1.54184","CuKα","","0.114","0.0672","","","0.1597","0.1953","","","","","","1.034","","","","has coordinates","243358","2020-10-21","18:00:00",""
"4133630","16.9921","0.0003","21.7092","0.0004","27.5293","0.0004","90","","90","","90","","10155.1","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C55 H67 N5 O2 Si2 -","- C55 H67 N5 O2 Si2 -","- C440 H536 N40 O16 Si16 -","8","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0762","0.0517","","","0.1349","0.152","","","","","","1.024","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133647","14.361","0.003","20.959","0.004","21.535","0.004","90","","90","","90","","6482","2","296","2","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 N4 Si Yb -","- C28 H52 N4 Si Yb -","- C224 H416 N32 Si8 Yb8 -","8","1","","Liu, Xiaojuan; Xiang, Li; Louyriac, Elisa; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Divalent Ytterbium Complex-Catalyzed Homo- and Cross-Coupling of Primary Arylsilanes.","Journal of the American Chemical Society","2019","141","1","138","142","10.1021/jacs.8b12138","","","0.71073","MoKα","","0.0992","0.0375","","","0.0654","0.0832","","","","","","0.982","","","","has coordinates","243385","2020-10-21","18:00:00",""
"4133703","16.4129","0.0009","13.8617","0.0007","46.111","0.002","90","","90","","90","","10490.7","0.9","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C45 H57 B2 Cl6 F8 Fe N8 O -","- C360 H456 B16 Cl48 F64 Fe8 N64 O8 -","8","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.1683","0.0776","","","0.1409","0.1744","","","","","","1.014","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4133719","23.695","0.003","18.5885","0.0019","25.738","0.002","90","","90","","90","","11336","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C48 H79 N5 Si2 -","- C48 H79 N5 Si2 -","- C384 H632 N40 Si16 -","8","1","","Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi","Heavier Carbonyl Olefination: The Sila-Wittig Reaction.","Journal of the American Chemical Society","2019","141","42","16991","16996","10.1021/jacs.9b09379","","x-ray","0.71073","MoKα","","0.0466","0.0428","","","0.1062","0.1091","","","","","","1.074","","","","has coordinates","243428","2020-10-21","18:00:00",""
"4133878","21.975","0.004","22.822","0.005","50.375","0.01","90","","90","","90","","25264","9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H55 Au N2 -","- C53 H55 Au N2 -","- C1272 H1320 Au24 N48 -","24","3","","Lee, Chin-Ho; Tang, Man-Chung; Kong, Fred Ka-Wai; Cheung, Wai-Lung; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Isomeric Tetradentate Ligand-Containing Cyclometalated Gold(III) Complexes","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11587","","","0.82653","synchrotron","","0.0549","0.044","","","0.1133","0.1209","","","","","","1.044","","","","has coordinates,has disorder","246314","2020-10-21","18:00:00",""
"4133879","19.0957","0.0003","18.7627","0.0003","20.0038","0.0003","90","","90","","90","","7167.1","0.19","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H132 N2 O19 V6 -","- C56 H132 N2 O19 V6 -","- C224 H528 N8 O76 V24 -","4","0.5","","Petel, Brittney E.; Meyer, Rachel L.; Maiola, Michela L.; Brennessel, William W.; Müller, Astrid M; Matson, Ellen M.","Site-Selective Halogenation of Polyoxovanadate Clusters: Atomically Precise Models for Electronic Effects of Anion Doping in VO2.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11874","","x-ray","1.54184","CuKα","","0.0404","0.0352","","","0.0931","0.0961","","","","","","1.076","","","","has coordinates","246332","2020-10-21","18:00:00",""
"4133925","17.8482","0.0004","7.0235","0.0002","22.7583","0.0006","90","","90","","90","","2852.91","0.13","98","2","98","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H21 B O4 -","- C14 H21 B O4 -","- C112 H168 B8 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0485","0.0476","","","0.1066","0.1072","","","","","","1.07","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133948","17.8903","0.0005","18.0868","0.0004","30.1101","0.0008","90","","90","","90","","9743","0.4","219.99","0.18","219.99","0.18","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C58 H58 Cl2 -","- C58 H58 Cl2 -","- C464 H464 Cl16 -","8","1","","Gao, Guangpeng; Chen, Meng; Roberts, Josiah; Feng, Meng; Xiao, Chengyi; Zhang, Guowei; Parkin, Sean; Risko, Chad; Zhang, Lei","Rational Functionalization of a C<sub>70</sub> Buckybowl To Enable a C<sub>70</sub>:Buckybowl Cocrystal for Organic Semiconductor Applications.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12192","","x-ray","1.54184","CuKα","","0.1231","0.1048","","","0.2671","0.2862","","","","","","1.931","","","","has coordinates","246837","2020-10-21","18:00:00",""
"4134081","11.9584","0.0002","26.4385","0.0007","31.6565","0.001","90","","90","","90","","10008.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C480 H672 O48 -","24","3","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0949","0.0635","","","0.1504","0.1789","","","","","","1.028","","","","has coordinates","247315","2020-10-21","18:00:00",""
"4134083","10.9261","0.0006","17.1581","0.0009","37.691","0.002","90","","90","","90","","7066","0.7","200","2","199.99","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Ba F6 N3 O12 S2 -","- C27 H33 Ba F6 N3 O12 S2 -","- C216 H264 Ba8 F48 N24 O96 S16 -","8","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0408","0.037","","","0.098","0.1008","","","","","","1.032","","","","has coordinates","247350","2020-10-21","18:00:00",""
"4134103","11.6748","0.0007","15.0381","0.001","36.178","0.002","90","","90","","90","","6351.7","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H43 N3 -","- C40 H43 N3 -","- C320 H344 N24 -","8","1","","An, Feng; Maji, Biplab; Min, Elizabeth; Ofial, Armin R.; Mayr, Herbert","Basicities and Nucleophilicities of Pyrrolidines and Imidazolidinones Used as Organocatalysts.","Journal of the American Chemical Society","2020","142","3","1526","1547","10.1021/jacs.9b11877","","","0.71073","MoKα","","0.0801","0.0486","","","0.088","0.0979","","","","","","1.066","","","","has coordinates","247481","2020-10-21","18:00:00",""
"4134160","15.8749","0.0006","16.2805","0.0006","18.0681","0.0006","90","","90","","90","","4669.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-3","Zn(Im)1.81(ClmbIm)0.19","","- C16.22 H18.58 Cl0.38 N8.78 O0.78 Zn2 -","- C16.215 H17.46 Cl0.375 N8.78 O0.78 Zn2 -","- C129.72 H139.68 Cl3 N70.24 O6.24 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.1257","0.0968","","","0.295","0.3257","","","","","","1.205","","","","has coordinates,has disorder","248049","2020-10-21","18:00:00",""
"4134161","15.556","0.0005","15.6538","0.0005","18.0875","0.0006","90","","90","","90","","4404.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-2","Zn(Im)1.87(ClFbIm)0.13","","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C13.04 H12 Cl0.26 F0.26 N8 Zn2 -","- C104.32 H96 Cl2.08 F2.08 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0535","0.0459","","","0.1408","0.1511","","","","","","1.074","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134162","15.697","0.0008","15.9694","0.001","17.9282","0.0016","90","","90","","90","","4494.1","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","ZIF-UC-4","Zn(Im)1.66(FbIm)0.34","","- C14.73 H12 F0.68 N8 Zn2 -","- C14.728 H12.682 F0.682 N8 Zn2 -","- C117.824 H101.456 F5.456 N64 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","x-ray","1.54184","CuKα","","0.1017","0.0663","","","0.1901","0.2174","","","","","","1.065","","","","has coordinates,has disorder","248051","2020-10-21","18:00:00",""
"4134163","15.726","0.0008","16.0184","0.0011","18.1617","0.001","90","","90","","90","","4575","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","ZIF-UC-5","Zn(Im)1.72(ClbIm)0.28","","- C15.44 H14.73 Cl0.57 N8.39 O0.39 Zn2 -","- C15.439 H15.291 Cl0.568 N8.389 O0.389 Zn2 -","- C123.512 H122.328 Cl4.544 N67.112 O3.112 Zn16 -","8","1","","Hou, Jingwei; Rios, Laura; Krajnc, Andraž; McCaul, Aoife; Li, Shichun; Bumstead, Alice; Sapnik, Adam; Deng, Zeyu; Lin, Rijia; Chater, Philip A.; Keeble, Dean S.; Keen, David A.; Appadoo, Dominique; Chan, Bun; Chen, Vicki; Mali, Gregor; Bennett, Thomas D.","Halogenated Metal-Organic Framework Glasses and Liquids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11639","","","1.54184","CuKα","","0.0872","0.0646","","","0.1888","0.2107","","","","","","1.103","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4134174","9.8589","0.0007","7.7089","0.0005","48.243","0.003","90","","90","","90","","3666.5","0.4","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F6 -","- C24 H16 F6 -","- C192 H128 F48 -","8","1","","Patel, Harshal D.; Tran, Thanh-Huyen; Sumby, Christopher J.; Pašteka, Lukáš F; Fallon, Thomas","Boronate Ester Bullvalenes.","Journal of the American Chemical Society","2020","142","8","3680","3685","10.1021/jacs.9b12930","","x-ray","0.71073","MoKα","","0.1475","0.0879","","","0.1446","0.1673","","","","","","1.11","","","","has coordinates,has disorder","248706","2020-10-21","18:00:00",""
"4134226","26.754","0.003","26.05","0.003","31.756","0.003","90","","90","","90","","22132","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C124.15 H103.5 Cl8.3 N10 O14 P2 -","- C993.2 H828 Cl66.4 N80 O112 P16 -","8","1","","Sierra, Andrés F; Hernández-Alonso, Daniel; Romero, Miguel Angel; Gonzalez Delgado, Jose Antonio; Pischel, Uwe; Ballester, Pablo","Optical Supramolecular Sensing of Creatinine.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12071","","","0.71073","MoKα","","0.1286","0.0769","","","0.199","0.2227","","","","","","1.358","","","","has coordinates,has disorder","248379","2020-10-21","18:00:00",""
"4134315","16.1941","0.0006","13.2477","0.0004","16.5076","0.0004","90","","90","","90","","3541.45","0.19","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","0.71073","MoKα","","0.0635","0.0482","","","0.1177","0.1274","","","","","","1.051","","","","has coordinates","248660","2020-10-21","18:00:00",""
"4134317","13.1543","0.0005","16.221","0.0005","16.6984","0.0005","90","","90","","90","","3563","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H29 B10 N O -","- C11 H29 B10 N O -","- C88 H232 B80 N8 O8 -","8","1","","Mills, Harrison A.; Martin, Joshua; Rheingold, Arnold L.; Spokoyny, Alexander M.","Oxidative Generation of Boron-Centered Radicals in Carboranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00300","","x-ray","1.54178","CuKα","","0.0522","0.0475","","","0.1303","0.136","","","","","","1.024","","","","has coordinates","248662","2020-10-21","18:00:00",""
"4134350","9.1437","0.0002","8.6684","0.0002","28.5984","0.0005","90","","90","","90","","2266.74","0.08","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix","Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11809","","","0.71073","MoKα","","0.0435","0.029","","","0.0523","0.0561","","","","","","1.048","","","","has coordinates","249141","2020-10-21","18:00:00",""
"4134411","10.5324","0.0003","10.3157","0.0003","18.7208","0.0005","90","","90","","90","","2034","0.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C96 H136 N8 O16 -","8","1","","Jung, Hoimin; Keum, Hyeyun; Kweon, Jeonguk; Chang, Sukbok","Tuning Triplet Energy Transfer of Hydroxamates as the Nitrene Precursor for Intramolecular C(sp<sup>3</sup>)-H Amidation.","Journal of the American Chemical Society","2020","142","12","5811","5818","10.1021/jacs.0c00868","","","0.71073","MoKα","","0.0607","0.0538","","","0.1271","0.1321","","","","","","1.111","","","","has coordinates","250074","2020-10-21","18:00:00",""
"4134457","10.994","0.003","8.897","0.004","20.967","0.003","90","","90","","90","","2050.9","1.1","103","2","103","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H2 F8 -","- C12 H2 F8 -","- C96 H16 F64 -","8","1","","Budiman, Yudha P.; Jayaraman, Arumugam; Friedrich, Alexandra; Kerner, Florian; Radius, Udo; Marder, Todd B.","Palladium-Catalyzed Homocoupling of Highly Fluorinated Arylboronates: Studies of the Influence of Strongly vs Weakly Coordinating Solvents on the Reductive Elimination Process.","Journal of the American Chemical Society","2020","142","13","6036","6050","10.1021/jacs.9b11871","","","0.71073","MoKα","","0.037","0.0319","","","0.0861","0.09","","","","","","1.041","","","","has coordinates","250055","2020-10-21","18:00:00",""
"4134619","11.3834","0.0003","7.3039","0.0002","15.8799","0.0004","90","","90","","90","","1320.31","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O2 -","- C4 H6 N6 O2 -","- C32 H48 N48 O16 -","8","1","","Tang, Yongxing; Huang, Wei; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Enforced Planar FOX-7-like Molecules: A Strategy for Thermally Stable and Insensitive π-Conjugated Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01640","","","1.54178","CuKα","","0.0458","0.044","","","0.1157","0.1175","","","","","","1.093","","","","has coordinates","250410","2020-10-21","18:00:00",""
"4134704","13.4491","0.0011","16.3991","0.0014","20.2594","0.0015","90","","90","","90","","4468.3","0.6","125","2","125","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Cp2TitBuNCHNtBuOTf","","","- C20 H29 F3 N2 O3 S Ti -","- C20 H29 F3 N2 O3 S Ti -","- C160 H232 F24 N16 O24 S8 Ti8 -","8","1","","Beaumier, Evan P.; Gordon, Christopher P.; Harkins, Robin P.; McGreal, Meghan E.; Wen, Xuelan; Copéret, Christophe; Goodpaster, Jason D.; Tonks, Ian A.","Cp<sub>2</sub>Ti(κ<sup>2</sup><i>-</i><sup> <i>t</i> </sup>BuNCN<sup> <i>t</i> </sup>Bu): A Complex with an Unusual κ<sup>2</sup> Coordination Mode of a Heterocumulene Featuring a Free Carbene.","Journal of the American Chemical Society","2020","142","17","8006","8018","10.1021/jacs.0c02487","","","0.71073","MoKα","","0.0684","0.0499","","","0.0984","0.1054","","","","","","1.073","","","","has coordinates","251439","2020-10-21","18:00:00",""
"4134727","9.6479","0.0001","19.6056","0.0003","37.8797","0.0005","90","","90","","90","","7165.05","0.16","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl2 N O5 -","- C16 H22 Cl2 N O5 -","- C256 H352 Cl32 N16 O80 -","16","2","","Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub","Stereocontrolled Synthesis of (-)-Bactobolin A.","Journal of the American Chemical Society","2020","142","16","7306","7311","10.1021/jacs.0c01554","","","0.71073","MoKα","","0.0359","0.032","","","0.0868","0.0895","","","","","","1.043","","","","has coordinates","251465","2020-10-21","18:00:00",""
"4134744","19.6982","0.0013","18.6978","0.0013","20.3197","0.0014","90","","90","","90","","7484","0.9","100","2","100.03","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38.88 H51.66 Ni P2 S Si -","- C38.884 H51.652 Ni P2 S Si -","- C311.072 H413.216 Ni8 P16 S8 Si8 -","8","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","H<sub>2</sub> Evolution from a Thiolate-Bound Ni(III) Hydride.","Journal of the American Chemical Society","2020","142","17","7827","7835","10.1021/jacs.0c00712","","","0.71073","MoKα","","0.0547","0.0355","","","0.0793","0.0866","","","","","","1.02","","","","has coordinates","251440","2020-10-21","18:00:00",""
"4134754","14.4159","0.0007","12.894","0.0005","28.4623","0.0012","90","","90","","90","","5290.5","0.4","297","2","297","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C240 H336 O40 -","8","1","","Liang, Xin-Ting; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of (-)-Spirochensilide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02522","","x-ray","0.71073","MoKα","","0.1225","0.0656","","","0.1282","0.148","","","","","","1.007","","","","has coordinates","250939","2020-10-21","18:00:00",""
"4134762","22.3072","0.0009","17.7179","0.0008","30.6044","0.0014","90","","90","","90","","12096","0.9","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C112 H152 B20 Ir4 N8 O8 S4 -","- C104 H120 B20 Ir4 N8 S4 -","- C416 H480 B80 Ir16 N32 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0926","0.073","","","0.1754","0.1859","","","","","","1.068","","","","has coordinates,has disorder","251030","2020-10-21","18:00:00",""
"4134765","21.999","0.004","18.835","0.004","27.602","0.006","90","","90","","90","","11437","4","143","2","143","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C106 H136 F12 Ir4 N4 O26 S4 -","- C96 H108 F12 Ir4 N4 O22 S4 -","- C384 H432 F48 Ir16 N16 O88 S16 -","4","0.5","","Cui, Peng-Fei; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Dihydrogen Bond Interaction Induced Separation of Hexane Isomers by Self-Assembled Carborane Metallacycles.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03176","","","1.34138","GaKα","","0.0439","0.0422","","","0.1206","0.1226","","","","","","1.035","","","","has coordinates,has disorder","251033","2020-10-21","18:00:00",""
"4134800","16.6583","0.0002","9.9298","0.0001","19.3483","0.0002","90","","90","","90","","3200.47","0.06","108","3","108","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C168 H152 N8 O16 -","8","1","","Wang, Hao; Gao, Yuzhen; Zhou, Chunlin; Li, Gang","Visible-Light-Driven Reductive Carboarylation of Styrenes with CO<sub>2</sub> and Aryl Halides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03144","","","1.3405","GaKα","","0.0375","0.0355","","","0.0877","0.0891","","","","","","1.038","","","","has coordinates","251152","2020-10-21","18:00:00",""
"4134842","27.3961","0.0004","17.5818","0.0002","28.1908","0.0004","90","","90","","90","","13578.7","0.3","200","2","200","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C65 H71 Mn N2 O2 P3 S3 Si3 -","- C520 H568 Mn8 N16 O16 P24 S24 Si24 -","8","1","","Chiang, Chuan-Kuei; Chu, Kai-Ti; Lin, Chia-Chin; Xie, Shi-Rou; Liu, Yu-Chiao; Demeshko, Serhiy; Lee, Gene-Hsiang; Meyer, Franc; Tsai, Ming-Li; Chiang, Ming-Hsi; Lee, Chien-Ming","Photoinduced NO and HNO Production from Mononuclear {FeNO}<sup>6</sup> Complex Bearing a Pendant Thiol.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13837","","","1.54178","CuKα","","0.0448","0.041","","","0.1217","0.1272","","","","","","1.034","","","","has coordinates,has disorder","251286","2020-10-21","18:00:00",""
"4134855","14.765","0.005","16.931","0.003","22.655","0.003","90","","90","","90","","5663","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H36 Cu N -","- C37 H36 Cu N -","- C296 H288 Cu8 N8 -","8","1","","Gernert, Markus; Balles-Wolf, Lukas; Kerner, Florian; M Uuml Ller, Ulrich; Schmiedel, Alexander; Holzapfel, Marco; Marian, Christel M.; Pflaum, Jens; Lambert, Christoph; Steffen, Andreas","Cyclic (amino)(aryl)carbenes (CAArCs) enter the field of chromophore ligands - Expanded π system leads to unusually deep red emitting Cu<sup>I</sup> compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02234","","","0.71073","MoKα","","0.0399","0.0303","","","0.0805","0.0859","","","","","","1.035","","","","has coordinates","251365","2020-10-21","18:00:00",""
"4134905","17.6809","0.0003","13.9926","0.0002","30.1337","0.0005","90","","90","","90","","7455.1","0.2","100","2","100.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C32 H31.35 Cl2 F12 N6 O P2 Ru -","- C256 H250.8 Cl16 F96 N48 O8 P16 Ru8 -","8","1","","Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.","Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO<sub>2</sub> Electroreduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02912","","","1.54178","CuKα","","0.0842","0.0698","","","0.1434","0.1487","","","","","","1.206","","","","has coordinates,has disorder","251777","2020-10-21","18:00:00",""
"4134935","6.8955","0.0002","15.5594","0.0004","21.9079","0.0006","90","","90","","90","","2350.5","0.11","100.01","","100.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(5S*,10R*,12R*,14S*)-6-chloro-2-methyl-5,10-dihydro-1H-5,10-[2,3]epoxireno[1,2,4]triazolo[1,2-b]phthalazine-1,3(2H)-dione","","- C13 H10 Cl N3 O3 -","- C13 H10 Cl N3 O3 -","- C104 H80 Cl8 N24 O24 -","8","1","","Siddiqi, Zohaib; Wertjes, William C.; Sarlah, David","Chemical Equivalent of Arene Monooxygenases: Dearomative Synthesis of Arene Oxides and Oxepines.","Journal of the American Chemical Society","2020","142","22","10125","10131","10.1021/jacs.0c02724","","x-ray","0.71073","MoKα","","0.0418","0.0335","","","0.0788","0.0826","","","","","","1.099","","","","has coordinates,has disorder","257115","2020-10-21","18:00:00",""
"4134964","19.7281","0.0008","15.4483","0.0009","30.7824","0.0013","90","","90","","90","","9381.4","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C65 H52 Cl2 N2 -","- C65 H52 Cl2 N2 -","- C520 H416 Cl16 N16 -","8","1","","Nakamura, Kimihiro; Li, Qiang-Qiang; Krejčí, Ondřej; Foster, Adam S.; Sun, Kewei; Kawai, Shigeki; Ito, Shingo","On-Surface Synthesis of a π-Extended Diaza[8]circulene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02534","","","0.71073","MoKα","","0.1227","0.0669","","","0.1545","0.1903","","","","","","1.026","","","","has coordinates,has disorder","252098","2020-10-21","18:00:00",""
"4134981","19.1617","0.0002","19.1616","0.0002","38.3323","0.0004","90","","90","","90","","14074.4","0.3","123.15","","123.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H83 Al Cu F15 N4 O3 P2 -","- C68 H83 Al Cu F15 N4 O3 P2 -","- C544 H664 Al8 Cu8 F120 N32 O24 P16 -","8","1","","Asada, Takahiro; Hoshimoto, Yoichi; Ogoshi, Sensuke","Rotation-Triggered Transmetalation on a Heterobimetallic Cu/Al <i>N</i>-Phosphine-Oxide-Substituted Imidazolylidene Complex.","Journal of the American Chemical Society","2020","142","21","9772","9784","10.1021/jacs.0c03252","","x-ray","1.54184","CuKα","","0.0506","0.041","","","0.1003","0.1054","","","","","","1.0415","","","","has coordinates","252620","2020-10-21","18:00:00",""
"4135001","21.364","0.007","18.351","0.004","29.604","0.005","90","","90","","90","","11606","5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H92 Fe2 N2 P6 -","- C60 H92 Fe2 N2 P6 -","- C480 H736 Fe16 N16 P48 -","8","1","","Arnett, Charles H.; Agapie, Theodor","Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01896","","","1.54178","CuKα","","0.0883","0.0703","","","0.1317","0.1406","","","","","","1.134","","","","has coordinates,has disorder","252178","2020-10-21","18:00:00",""
"4135140","8.4594","0.0004","17.1371","0.0012","33.46","0.002","90","","90","","90","","4850.7","0.5","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O6 Si -","- C24 H32 N2 O6 Si -","- C192 H256 N16 O48 Si8 -","8","1","","Andres, Rémi; Wang, Qian; Zhu, Jieping","Asymmetric Total Synthesis of (-)-Arborisidine and (-)-19-epi-Arborisidine Enabled by a Catalytic Enantioselective Pictet-Spengler Reaction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05804","","x-ray","1.54184","CuKα","","0.1285","0.065","","","0.1529","0.1952","","","","","","1.029","","","","has coordinates","254805","2020-10-21","18:00:00",""
"4135241","8.656","0.0008","11.3735","0.0008","27.925","0.002","90","","90","","90","","2749.2","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben","Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.","Journal of the American Chemical Society","2020","142","38","16234","16239","10.1021/jacs.0c08810","","","0.71073","MoKα","","0.0834","0.0607","","","0.1564","0.1745","","","","","","1.03","","","","has coordinates","257121","2020-10-21","18:00:00",""
"4135276","9.2451","0.0007","20.9753","0.0016","37.803","0.003","90","","90","","90","","7330.7","1","100","2","100.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52 H32 N4 S -","- C52 H32 N4 S -","- C416 H256 N32 S8 -","8","1","","Yang, Sheng-Yi; Wang, Ya-Kun; Peng, Chen-Chen; Wu, Zheng-Guang; Yuan, Shuai; Yu, You-Jun; Li, Hao; Wang, Tong-Tong; Li, Hong-Cheng; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","Circularly Polarized Thermally Activated Delayed Fluorescence Emitters in Through-Space Charge Transfer on Asymmetric Spiro Skeletons.","Journal of the American Chemical Society","2020","142","41","17756","17765","10.1021/jacs.0c08980","","","0.71073","MoKα","","0.1346","0.0627","","","0.1263","0.1601","","","","","","0.996","","","","has coordinates","258707","2020-11-04","01:22:28",""
"4135286","16.7399","0.0007","12.5493","0.0005","22.3515","0.0011","90","","90","","90","","4695.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 B10 -","- C19 H34 B10 -","- C152 H272 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.1748","0.0936","","","0.246","0.2951","","","","","","1.023","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135289","16.4151","0.0008","12.5821","0.0006","21.684","0.0012","90","","90","","90","","4478.5","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H32 B10 -","- C18 H32 B10 -","- C144 H256 B80 -","8","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.","Journal of the American Chemical Society","2020","142","43","18661","18667","10.1021/jacs.0c08652","","","0.71073","MoKα","","0.0996","0.0625","","","0.1652","0.1942","","","","","","1.024","","","","has coordinates","258711","2020-11-04","01:24:27",""
"4135334","12.452","0.003","26.389","0.007","36.476","0.009","90","","90","","90","","11986","5","170.15","","170.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Cl9 N3 O12 -","- C54 H62 Cl9 N3 O12 -","- C432 H496 Cl72 N24 O96 -","8","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","0.71073","MoKα","","0.083","0.0675","","","0.1803","0.1952","","","","","","1.027","","","","has coordinates,has disorder","259515","2020-12-04","02:18:54",""
"4135436","24.2191","0.0004","23.9973","0.0005","27.2389","0.0005","90","","90","","90","","15831.1","0.5","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H100 Ge2 N4 Te2 -","- C90 H100 Ge2 N4 Te2 -","- C720 H800 Ge16 N32 Te16 -","8","1","","Sharma, Mahendra K.; Ebeler, Falk; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.","Isolation of a Ge(I) Diradicaloid and Dihydrogen Splitting.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11828","","x-ray","0.71073","MoKα","","0.0735","0.0409","","","0.0721","0.0815","","","","","","1.046","","","","has coordinates","260253","2020-12-30","23:57:02",""
"4135574","9.4303","0.0007","15.891","0.0011","16.744","0.0012","90","","90","","90","","2509.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Br O S -","- C13 H13 Br O S -","- C104 H104 Br8 O8 S8 -","8","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0271","0.0223","","","0.0557","0.0579","","","","","","1.062","","","","has coordinates","261453","2021-02-04","00:39:29",""
"4135601","9.5532","0.0003","6.3625","0.0002","16.3333","0.0005","90","","90","","90","","992.77","0.05","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-nitro-semicarbazid","4-nitro-semicarbazid","","- C H6 N4 O4 -","- C H6 N4 O4 -","- C8 H48 N32 O32 -","8","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0707","0.0752","","","","","","1.058","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135624","8.438","0.0007","16.7089","0.0013","25.36","0.002","90","","90","","90","","3575.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C176 H152 N24 O16 -","8","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0492","0.0382","","","0.0856","0.0899","","","","","","1.05","","","","has coordinates","261489","2021-02-04","01:01:40",""
"4300063","18.928","0.013","12.769","0.009","29.5","0.02","90","","90","","90","","7130","9","293","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H40 Br6 Mo3 N2 S7 -","- C16 H40 Br6 Mo3 N2 S7 -","- C128 H320 Br48 Mo24 N16 S56 -","8","1","","Virginie Béreau; Christopher G. Pernin; James A. Ibers","Reactivity of the [Mo3(μ3-S)(μ2-S2)3Br6]2- Anion toward the Imidodiphosphinochalcogenido Ligands [N(QPPh2)2]- (Q = S, Se): Synthesis and Characterization of [Mo3(μ3-S)(μ2-S2)3{N(QPPh2)2}3]Br","Inorganic Chemistry","2000","39","","854","856","10.1021/ic9907056","","","0.71073","MoKα","","0.0706","0.0344","","","0.0689","0.0769","","","","","","0.819","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4300117","17.113","0.003","20.744","0.004","23.302","0.006","90","","90","","90","","8272","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","meso-(mu!2$-Oxo)-bis[dichloro-(1,5,6-trimethylbenzimidazole)-(3,5-luti dine)-oxo-rhenium(v)] acetone solvate","","- C35.5 H45 Cl4 N6 O3.5 Re2 -","- C35.5 H41 Cl4 N6 O3.5 Re2 -","- C284 H328 Cl32 N48 O28 Re16 -","8","1","","Enzo Alessio; Ennio Zangrando; Elisabetta Iengo; Michela Macchi; Patricia A. Marzilli; Luigi G. Marzilli","Understanding the Orientation and Dynamic Motion of Planar Heterocyclic N-Donor Ligands by Exploiting the Symmetry Properties of Mixed-Ligand μ-Oxorhenium(V) Dinuclear Complexes [ReOCl2(L)(L')]-O-[ReOCl2(L)(L')]: A Combined X-ray Structural and Dynamic NMR Investigation","Inorganic Chemistry","2000","39","","294","303","10.1021/ic990858t","","","0.8","synchrotron","","0.0582","0.0522","","0.1385","0.1354","","","","1.097","1.146","1.146","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300118","12.6295","0.0007","20.7874","0.0009","18.3301","0.0013","90","","90","","90","","4812.3","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H23 Cu Gd N6 O12 -","- C17 H23 Cu Gd N6 O12 -","- C136 H184 Cu8 Gd8 N48 O96 -","8","1","","Jean-Pierre Costes; Françoise Dahan; Arnaud Dupuis; Jean-Pierre Laurent","Is Ferromagnetism an Intrinsic Property of the CuII/GdIIICouple? 1. Structures and Magnetic Properties of Two Novel Dinuclear Complexes with a μ-Phenolato-μ-Oximato (Cu,Gd) Core","Inorganic Chemistry","2000","39","","169","173","10.1021/ic990864p","","","0.71073","MoKα","","0.0573","0.0264","","","0.0535","0.0678","","","","","","1.069","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4300421","8.6","0.002","13.44","0.004","24.083","0.007","90","","90","","90","","2783.6","1.3","99","2","99","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn(N3)2(chloro-pyrazine)2]n","","","- C8 H6 Cl2 Mn N10 -","- C8 H6 Cl2 Mn N10 -","- C64 H48 Cl16 Mn8 N80 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300424","8.521","0.002","13.787","0.003","26.237","0.005","90","","90","","90","","3082.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mn(Ipyz)2(N3)2]n","","","- C8 H6 I2 Mn N10 -","- C8 H6 I2 Mn N10 -","- C64 H48 I16 Mn8 N80 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051258z","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300429","15.3184","0.0013","10.4897","0.0015","18.8193","0.0017","90","","90","","90","","3024","0.6","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Ag B F4 N4 -","- C12 H16 Ag B F4 N4 -","- C96 H128 Ag8 B8 F32 N32 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0512835","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300452","18.333","0.009","15.787","0.008","22.395","0.011","90","","90","","90","","6481.3","5.4","212.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H46 Cl Cu N6 O4 -","- C28 H46 Cl Cu N6 O4 -","- C224 H368 Cl8 Cu8 N48 O32 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300453","16.24","0.004","27.748","0.007","17.75","0.005","90","","90","","90","","7998.7","3.5","212.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C31 H51 Cl2 Cu F6 N7 P -","- C31 H51 Cl2 Cu F6 N7 P -","- C248 H408 Cl16 Cu8 F48 N56 P8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051290t","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300483","11.561","0.0015","12.6399","0.0017","13.2156","0.0017","90","","90","","90","","1931.2","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2 H12 Au Cl3 N2 O2 -","- C2 H12 Au Cl3 N2 O2 -","- C16 H96 Au8 Cl24 N16 O16 -","8","1","","Zhu, Shourong; Gorski, Waldemar; Powell, Douglas R.; Walmsley, Judith A.","","Inorganic Chemistry","2006","","","","","10.1021/ic051411p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300488","17.999","0.002","20.75","0.002","21.876","0.002","90","","90","","90","","8170","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H60 Co2 N8 -","- C42 H60 Co2 N8 -","- C336 H480 Co16 N64 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051433b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300490","17.94","0.003","20.849","0.003","21.87","0.003","90","","90","","90","","8180","4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H60 N8 Zn2 -","- C42 H60 N8 Zn2 -","- C336 H480 N64 Zn16 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051433b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300491","19.531","0.004","22.835","0.004","24.407","0.005","90","","90","","90","","10885","4","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H45 B F24 Mo P4 S2 -","- C44 H45 B F24 Mo P4 S2 -","- C352 H360 B8 F192 Mo8 P32 S16 -","8","1","","Steven J. Smith; C. Matthew Whaley; Thomas B. Rauchfuss; Wilson, Scott R.","","Inorganic Chemistry","2006","","","","","10.1021/ic051443c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277859","2022-09-15","00:05:25",""
"4300508","13.751","0.003","23.133","0.005","27.455","0.006","90","","90","","90","","8734","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C108 H88 Cl2 Fe2 N2 O8 -","- C108 H88 Cl2 Fe2 N2 O8 -","- C432 H352 Cl8 Fe8 N8 O32 -","4","0.5","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051471v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300586","14.2588","0.0003","21.5216","0.0009","28.1859","0.0008","90","","90","","90","","8649.5","0.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H36 Cl4 F12 N6 P2 Ru -","- C36 H34 Cl4 F12 N6 P2 Ru -","- C288 H272 Cl32 F96 N48 P16 Ru8 -","8","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051590a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300623","18.5586","0.0005","18.7571","0.0006","33.5543","0.0009","90","","90","","90","","11680.4","0.6","154","2","154","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","MeLZn2(Ph)(NHtBu) (compound 10)","","","- C30 H41 N5 O Zn2 -","- C30 H41 N5 O Zn2 -","- C480 H656 N80 O16 Zn32 -","16","2","","Hlavinka, Mark L.; McNevin, Michael J.; Shoemaker, Richard; Hagadorn, John R.","Dizinc Alkoxides and Amides Supported by Binucleating Bis(amidoamine) Ligands","Inorganic Chemistry","2006","45","4","1815","1822","10.1021/ic051669f","","","","","","","","","","","","","","","","","","","","","has coordinates","210161","2020-10-21","18:00:00",""
"4300633","17.217","0.0002","12.964","0.0003","18.763","0.0004","90","","90","","90","","4187.92","0.14","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H36 Cu N2 O8 -","- C50 H36 Cu N2 O8 -","- C200 H144 Cu4 N8 O32 -","4","0.5","","Dickie, Diane A.; Schatte, Gabriele; Jennings, Michael C.; Jenkins, Hilary A.; Khoo, Sarah Y. L.; Clyburne, Jason A. C.","Structure of Organic and Metal-Organic Networks Based on a Bifunctionalm-Terphenyl Carboxylic Acid","Inorganic Chemistry","2006","45","4","1646","1655","10.1021/ic051690g","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300715","11.8803","0.0004","15.9624","0.0007","17.6111","0.0007","90","","90","","90","","3339.7","0.2","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B8 Fe2 O7 -","- C8 H12 B8 Fe2 O7 -","- C64 H96 B64 Fe16 O56 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^","Inorganic Chemistry","2006","45","6","2669","2677","10.1021/ic051946i","","","","","","","","","","","","","","","","","","","","","has coordinates","210270","2020-10-21","18:00:00",""
"4300769","7.6654","0.001","18.4503","0.001","18.6808","0.001","90","","90","","90","","2642","0.4","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H14 Cu K N4 O2 -","- C8 H14 Cu K N4 O2 -","- C64 H112 Cu8 K8 N32 O16 -","8","1","","Shengming Liu; Christine E. Plecnik; Edward A. Meyers; Sheldon G. Shore","Two Distinct Ln(III)-Cu(I) Cyanide Extended Arrays: Structures and Synthetic Methodology for Inclusion and Layer Complexes","Inorganic Chemistry","2005","44","","282","292","10.1021/ic040113+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:26",""
"4300810","10.0914","0.0007","19.504","0.002","42.279","0.005","90","","90","","90","","8321.5","1.4","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[Ph3PCH2Ph][PtCl5{NHC(Et)ON(CH2Ph)2}]","","","- C42 H42 Cl5 N2 O P Pt -","- C42 H42 Cl5 N2 O P Pt -","- C336 H336 Cl40 N16 O8 P8 Pt8 -","8","1","","Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.","Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling","Inorganic Chemistry","2005","44","8","2944","2953","10.1021/ic048388c","","","0.71073","MoKα","","0.1187","0.057","","","0.1107","0.1339","","","","","","1.049","","","","has coordinates","210160","2020-10-21","18:00:00",""
"4300849","10.892","0.0013","10.8871","0.0012","38.317","0.005","90","","90","","90","","4543.7","0.9","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H22 S2 Ti -","- C30 H22 S2 Ti -","- C240 H176 S16 Ti8 -","8","1","","Aucott, Stephen M.; Kilian, Petr; Milton, Heather L.; Robertson, Stuart D.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Bis(Cyclopentadienyl)Titanium Complexes of Naphthalene‒1,8-Dithiolates, Biphenyl 2,2'-Dithiolates, and Related Ligands","Inorganic Chemistry","2005","44","8","2710","2718","10.1021/ic048483l","","","0.71073","MoKα","","0.2397","0.2185","","","0.4432","0.4558","","","","","","1.107","","","","has coordinates","210173","2020-10-21","18:00:00",""
"4301116","13.0444","0.0007","25.179","0.0008","27.2213","0.0015","90","","90","","90","","8940.7","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H68 B3 O5 U -","- C44 H68 B3 O5 U -","- C352 H544 B24 O40 U8 -","8","1","","Thérèse Arliguie; Lotfi Belkhiri; Salah-Eddine Bouaoud; Pierre Thuéry; Claude Villiers; Abdou Boucekkine; Michel Ephritikhine","Lanthanide(III) and Actinide(III) Complexes [M(BH4)2(THF)5][BPh4] and [M(BH4)2(18-crown-6)][BPh4] (M = Nd, Ce, U): Synthesis, Crystal Structure, and Density Functional Theory Investigation of the Covalent Contribution to Metal-Borohydride Bonding","Inorganic Chemistry","2009","48","","221","230","10.1021/ic801685v","","","0.71073","MoKα","","0.0922","0.0512","","","0.1005","0.1165","","","","","","1.019","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301245","18.7927","0.0009","16.6124","0.0008","24.2202","0.0011","90","","90","","90","","7561.3","0.6","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H57 Cu S -","- C40 H57 Cu S -","- C320 H456 Cu8 S8 -","8","1","","Stanislav Groysman; R. H. Holm","A Series of Mononuclear Quasi-Two-Coordinate Copper(I) Complexes Employing a Sterically Demanding Thiolate Ligand","Inorganic Chemistry","2009","48","","621","627","10.1021/ic801836k","","","0.71073","MoKα","","0.0703","0.0525","","","0.1476","0.1645","","","","","","1.033","","","","has coordinates,has disorder","179050","2020-10-21","18:00:00",""
"4301322","19.7286","0.0005","19.7688","0.0006","22.2111","0.0007","90","","90","","90","","8662.6","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C49 H38 Br F6 N P3 Rh -","- C49 H38 Br F6 N P3 Rh -","- C392 H304 Br8 F48 N8 P24 Rh8 -","8","1","","Shanshan Chen; Yongxin Li; Jing Zhao; Xingwei Li","Chelation-Assisted Carbon-Halogen Bond Activation by a Rhodium(I) Complex","Inorganic Chemistry","2009","48","","1198","1206","10.1021/ic801878e","","","0.71073","MoKα","","0.0796","0.0357","","","0.0911","0.1235","","","","","","1.128","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4301335","22.8555","0.0009","26.5434","0.0012","28.6078","0.0012","90","","90","","90","","17355.3","1.3","220","","220","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C81 H63 Lu2 N24 O S6 -","- C81 H63 Lu2 N24 O S6 -","- C648 H504 Lu16 N192 O8 S48 -","8","1","","Aude Escande; Laure Guénée; Kerry-Lee Buchwalder; Claude Piguet","Complexation of Trivalent Lanthanides with Planar Tridentate Aromatic Ligands Tuned by Counteranions and Steric Constraints","Inorganic Chemistry","2009","48","","1132","1147","10.1021/ic801908c","","x-ray","0.71073","MoKα","","","0.037","","","","0.033","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301353","13.7371","0.0005","15.658","0.0005","19.9617","0.0007","90","","90","","90","","4293.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 Mn4 N28 O8 -","- C30 H28 Mn4 N28 O8 -","- C120 H112 Mn16 N112 O32 -","4","0.5","","Yan-Qin Wang; Jian-Yong Zhang; Qin-Xiang Jia; En-Qing Gao; Cai-Ming Liu","Unprecedented Self-Catenated Eight-Connected Network Based on Novel Azide-Bridged Tetramanganese(II) Clusters","Inorganic Chemistry","2009","48","","789","791","10.1021/ic801968x","","","0.71073","MoKα","","0.0562","0.0337","","","0.076","0.0874","","","","","","1.014","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301461","6.051","0.003","9.205","0.005","24.743","0.013","90","","90","","90","","1378.2","1.2","153","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H6 Gd N O7 -","- C2 H6 Gd N O7 -","- C16 H48 Gd8 N8 O56 -","8","1","","David L. Rogow; Claudia H. Swanson; Allen G. Oliver; Scott R. J. Oliver","Two Related Gadolinium Aquo Carbonate 2-D and 3-D Structures and Their Thermal, Spectroscopic, and Paramagnetic Properties","Inorganic Chemistry","2009","48","","1533","1541","10.1021/ic801844b","","","0.71073","MoKα","","0.044","0.0265","","","0.0495","0.0548","","","","","","1.033","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301514","12.586","0.002","7.4091","0.0014","13.042","0.003","90","","90","","90","","1216.2","0.4","298","0.2","298","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Barium Gallium Oxide Hydroxide","","- Ba Ga2 H4 O6 -","- Ba Ga2 O6 -","- Ba8 Ga16 O48 -","8","1","","Min Kyung Kim; Vinna Jo; Il-Wun Shim; Kang Min Ok","New Inorganic Helical Chain: Synthesis, Structure, Characterization, and Interconversion of BaGa2O2(OH)4","Inorganic Chemistry","2009","48","","1275","1277","10.1021/ic802187w","","","0.71073","MoKα","","0.0273","0.0255","","","0.0656","0.0667","","","","","","1.126","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301533","12.971","0.002","9.659","0.001","15.085","0.003","90","","90","","90","","1890","0.5","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Trisrubidium catena-dihydrogentriphosphide ammonia(1/1)","","- H5 N P3 Rb3 -","- H5 N P3 Rb3 -","- H40 N8 P24 Rb24 -","8","1","","Florian Kraus; Jürgen C. Aschenbrenner; T. Klamroth; Nikolaus Korber","Hydrogen Polyphosphides P3H23- and P3H32-: Synthesis and Crystal Structure of K3(P3H2).2.3NH3, Rb3(P3H2).NH3, [Rb(18-crown-6)]2(P3H3).7.5NH3, and [Cs(18-crown-6)]2(P3H3).7NH3","Inorganic Chemistry","2009","48","","1911","1919","10.1021/ic8014546","","x-ray","0.71073","MoKα","","0.0651","0.0395","","","0.0914","0.0987","","","","","","0.914","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301538","10.6095","0.0005","14.9183","0.0008","34.4581","0.0018","90","","90","","90","","5453.9","0.5","130","2","130","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(diisopropyldithiophosphinato){hydrobis(isopropyl- pyrazol-1-yl)(methoxy)borato}oxomolybdenum(IV)","","- C19 H36 B Mo N4 O2 P S2 -","- C19 H36 B Mo N4 O2 P S2 -","- C152 H288 B8 Mo8 N32 O16 P8 S16 -","8","1","","Charles G. Young; Michael S. Malarek; David J. Evans; Christian J. Doonan; Victor Wee Lin Ng; Jonathan M. White","Synthesis and Characterization of TpiPrMoO(S2PR2) (R = Pri, Ph, OEt, OPri, (-)-Mentholate) and {HB(OMe)(Pripz)2}MoO(S2PPri2), Including Isomers of Known 1,2-Borotropically-Shifted Complexes","Inorganic Chemistry","2009","48","","1960","1966","10.1021/ic8015518","","","0.71073","MoKα","","0.0517","0.034","","","0.0766","0.0825","","","","","","0.932","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301541","20.4716","0.0006","15.6606","0.0005","24.1341","0.0003","90","","90","","90","","7737.3","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H34 F12 N6 O4 P2 Ru -","- C36 H34 F12 N6 O4 P2 Ru -","- C288 H272 F96 N48 O32 P16 Ru8 -","8","1","","Sipke H. Wadman; Martin Lutz; Duncan M. Tooke; Anthony L. Spek; František Hartl; Remco W. A. Havenith; Gerard P. M. van Klink; Gerard van Koten","Consequences of N,C,N'- and C,N,N'-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes","Inorganic Chemistry","2009","48","","1887","1900","10.1021/ic801595m","","","0.71073","MoKα","","0.0629","0.0342","","","0.0713","0.086","","","","","","1.12","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301595","19.211","0.004","23.405","0.005","28.373","0.006","90","","90","","90","","12757","5","120","1","120","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H108 I N2 P4 U -","- C52 H80 I N2 P4 U -","- C416 H640 I8 N16 P32 U8 -","8","1","","Thibault Cantat; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","What a Difference a 5f Element Makes: Trivalent and Tetravalent Uranium Halide Complexes Supported by One and Two Bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) Ligands","Inorganic Chemistry","2009","48","","2114","2127","10.1021/ic802061x","","","0.71073","MoKα","","0.0991","0.0486","","","0.0935","0.107","","","","","","0.888","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301635","12.5951","0.0016","19.079","0.002","32.223","0.004","90","","90","","90","","7743.2","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H49 N2 Ni S -","- C45 H49 N2 Ni S -","- C360 H392 N16 Ni8 S8 -","8","1","","Mikinao Ito; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes","Inorganic Chemistry","2009","48","","2215","2223","10.1021/ic802276w","","","0.7107","MoKα","","0.0659","0.0567","","","0.1346","0.1403","","","","","","1.122","","","","has coordinates,has disorder","179054","2020-10-21","18:00:00",""
"4301645","10.3063","0.0013","7.986","0.001","11.5458","0.0015","90","","90","","90","","950.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Silver(I) nitrosodicyanmethanide, Ag(CCO)","Nitrosodicyanmethanide of Silver(I)","","- C3 Ag N3 O -","- C3 Ag N3 O -","- C24 Ag8 N24 O8 -","8","1","","Garrett Glover; Nikolay Gerasimchuk; Richard Biagioni; Konstantin V. Domasevitch","Monovalent K, Cs, Tl, and Ag Nitrosodicyanomethanides: Completely Different 3D Networks with Useful Properties of Luminescent Materials and Nonelectric Sensors for Gases","Inorganic Chemistry","2009","48","","2371","2382","10.1021/ic801364w","","","0.71073","MoKα","","0.0245","0.0237","","","0.0591","0.0596","","","","","","1.089","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301660","17.9476","0.0005","15.84","0.0005","19.1365","0.0006","90","","90","","90","","5440.3","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H31 F6 N3 P2 -","- C25 H31 F6 N3 P2 -","- C200 H248 F48 N24 P16 -","8","1","","Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith","Intramolecular Hydrogen-Bonded Tertiary Phosphines as 1,3,5-Triaza-7-phosphaadamantane (PTA) Analogues","Inorganic Chemistry","2009","48","","2633","2638","10.1021/ic801709z","","","0.71073","MoKα","","0.0494","0.0377","","","0.1","0.1091","","","","","","1.02","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301668","23.0657","0.0011","21.0954","0.001","32.2509","0.0015","90","","90","","90","","15692.6","1.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C84 H130 Ge2 N2 Sn2 -","- C84 H130 Ge2 N2 Sn2 -","- C672 H1040 Ge16 N16 Sn16 -","8","1","","Xinping Wang; Chengbao Ni; Zhongliang Zhu; James C. Fettinger; Philip P. Power","N-H and N=C Bond Formation via Germanium(III) Diradicaloid Intermediates and C-S Bond Cleavage in Reactions of the Digermyne Ar'GeGeAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) with Azides","Inorganic Chemistry","2009","48","","2464","2470","10.1021/ic801713v","","","0.71073","MoKα","","0.0655","0.0334","","","0.0669","0.0736","","","","","","1.011","","","","has coordinates,has disorder","179054","2020-10-21","18:00:00",""
"4301675","16.149","0.005","17.085","0.004","25.497","0.006","90","","90","","90","","7035","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[SiPiPr3]CoCl","","","- C36 H54 Cl Co P3 Si -","- C36 H54 Cl Co P3 Si -","- C288 H432 Cl8 Co8 P24 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.1014","0.0546","","","0.0877","0.0955","","","","","","1.308","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301682","15.98","0.02","17.151","0.012","25.95","0.02","90","","90","","90","","7112","12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[SiPiPr3]Ir(N2)","","","- C36 H54 Ir N2 P3 Si -","- C36 H54 Ir N2 P3 Si -","- C288 H432 Ir8 N16 P24 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.1192","0.0496","","","0.0767","0.0878","","","","","","1.21","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301683","22.7568","0.0007","16.8912","0.0005","26.773","0.0008","90","","90","","90","","10291.3","0.5","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","[SiP3]Fe(OTf)","","","- C59 H50 F3 Fe O3 P3 S Si -","- C59 H50 F3 Fe O4 P3 S Si -","- C472 H400 F24 Fe8 O32 P24 S8 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.0598","0.0446","","","0.1106","0.1229","","","","","","1.043","","","","has coordinates,has disorder","179054","2020-10-21","18:00:00",""
"4301684","16.13","0.02","17.05","0.014","25.54","0.02","90","","90","","90","","7024","12","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[SiPiPr3]Co(CO)","","","- C37 H54 Co O P3 Si -","- C37 H54 Co O P3 Si -","- C296 H432 Co8 O8 P24 Si8 -","8","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.1881","0.0707","","","0.115","0.1353","","","","","","1.096","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301700","14.0819","0.0009","14.7967","0.0008","16.8374","0.0008","90","","90","","90","","3508.3","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H54 Ir2 Zr2 -","- C40 H4 Ir2 Zr2 -","- C160 H16 Ir8 Zr8 -","4","0.5","","Masataka Oishi; Hiroharu Suzuki","Zirconocene-Iridium Hydrido Complexes: Arene Carbon-Hydrogen Bond Activation and Formation of a Planar Square Zr2Ir2 Complex","Inorganic Chemistry","2009","48","","2349","2351","10.1021/ic8020113","","","0.77","","","0.0395","0.036","","","0.0839","0.0858","","","","","","0.886","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301765","14.0098","0.0016","16.2434","0.0018","38.914","0.004","90","","90","","90","","8855.5","1.7","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C17 H37 Br2 Ni P2 -","- C17 H37 Br2 Ni P2 -","- C272 H592 Br32 Ni16 P32 -","16","2","","Annie Castonguay; André L. Beauchamp; Davit Zargarian","New Derivatives of PCP-Type Pincer Complexes of Nickel","Inorganic Chemistry","2009","48","","3177","3184","10.1021/ic801641u","","","1.54178","CuKα","","0.052","0.0328","","","0.0757","0.0812","","","","","","0.963","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301766","23.6525","0.0013","14.4554","0.0009","27.611","0.0016","90","","90","","90","","9440.4","1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C34 H76 Br4 Ni2 P4 -","- C34 H76 Br4 Ni2 P4 -","- C272 H608 Br32 Ni16 P32 -","8","1","","Annie Castonguay; André L. Beauchamp; Davit Zargarian","New Derivatives of PCP-Type Pincer Complexes of Nickel","Inorganic Chemistry","2009","48","","3177","3184","10.1021/ic801641u","","","1.54178","CuKα","","0.0704","0.0615","","","0.1303","0.136","","","","","","1.079","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301801","9.7687","0.0006","20.6825","0.0013","27.084","0.002","90","","90","","90","","5472.1","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Fe N8 -","- C33 H33 Fe N8 -","- C264 H264 Fe8 N64 -","8","1","","Priyabrata Banerjee; Anna Company; Thomas Weyhermüller; Eckhard Bill; Corinna R. Hess","Zn and Fe Complexes Containing a Redox Active Macrocyclic Biquinazoline Ligand","Inorganic Chemistry","2009","48","","2944","2955","10.1021/ic8020172","","","0.71073","MoKα","","0.092","0.0396","","","0.085","0.1208","","","","","","1.185","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301835","17.203","0.003","17.277","0.003","23.12","0.004","90","","90","","90","","6872","2","160","2","446","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[Mg(BMP)2(H-TMG)2] (5)","","","- C32 H56 Mg N6 O2 -","- C32 H56 Mg N6 O2 -","- C256 H448 Mg8 N48 O16 -","8","1","","Jessie D. Monegan; Scott D. Bunge","Structurally Characterized 1,1,3,3-Tetramethylguanidine Solvated Magnesium Aryloxide Complexes: [Mg(μ-OEt)(DBP)(H-TMG)]2, [Mg(μ-OBc)(DBP)(H-TMG)]2, [Mg(μ-TMBA)(DBP)(H-TMG)]2, [Mg(μ-DPP)(DBP)(H-TMG)]2, [Mg(BMP)2(H-TMG)2], [Mg(O-2,6-Ph2C6H3)2(H-TMG)2]","Inorganic Chemistry","2009","48","","3248","3256","10.1021/ic8022776","","","0.71073","MoKα","","0.119","0.0533","","","0.1348","0.1707","","","","","","0.873","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301847","21.857","0.01","13.872","0.007","23.06","0.011","90","","90","","90","","6992","6","301","1","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 N5 O5 Ru -","- C30 H38 N5 O5 Ru -","- C240 H304 N40 O40 Ru8 -","8","1","","Hoi-Ki Kwong; Wai-Lun Man; Jing Xiang; Wing-Tak Wong; Tai-Chu Lau","Reaction of a (Salen)ruthenium(VI) Nitrido Complex with Isocyanide","Inorganic Chemistry","2009","48","","3080","3086","10.1021/ic802338f","","","0.71073","MoKα","","","0.0573","","","","0.0706","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301910","12.057","0.004","18.138","0.006","30.404","0.009","90","","90","","90","","6649","4","143","","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C66 H80 N16 P2 U2 -","- C66 H80 N16 P2 U2 -","- C264 H320 N64 P8 U8 -","4","0.5","","Jeffrey D. Rinehart; T. David Harris; Stosh A. Kozimor; Bart M. Bartlett; Jeffrey R. Long","Magnetic Exchange Coupling in Actinide-Containing Molecules","Inorganic Chemistry","2009","48","","3382","3395","10.1021/ic801303w","","","0.71073","MoKα","","0.0889","0.0407","","","0.0768","0.0905","","","","","","1.002","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4301935","20.501","0.002","28.784","0.003","20.369","0.003","90","","90","","90","","12020","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H72 Cl18 N2 W6 -","- C32 H72 Cl18 N2 W6 -","- C256 H576 Cl144 N16 W48 -","8","1","","Sonja Tragl; Markus Ströbele; Jochen Glaser; Cristian Vicent; Rosa Llusar; H.-Jürgen Meyer","Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion","Inorganic Chemistry","2009","48","","3825","3831","10.1021/ic8019843","","","0.71073","MoKα","","0.1464","0.0632","","","0.1604","0.1785","","","","","","0.853","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4302039","13.8998","0.0008","16.889","0.0009","19.2726","0.001","90","","90","","90","","4524.3","0.4","128","2","128","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Br2 Cu N2 -","- C24 H24 Br2 Cu N2 -","- C192 H192 Br16 Cu8 N16 -","8","1","","Sibaprasad Bhattacharyya; Aurora E. Clark; Maren Pink; Jeffrey M. Zaleski","Structure Modulated Electronic Contributions to Metalloenediyne Reactivity: Synthesis and Thermal Bergman Cyclization of MLX2 Compounds","Inorganic Chemistry","2009","48","","3916","3925","10.1021/ic801116q","","","0.71073","MoKα","","0.0495","0.0292","","","0.0644","0.0728","","","","","","1.011","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302091","16.081","0.0004","16.8673","0.0004","35.3301","0.0008","90","","90","","90","","9583","0.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H78 B2 Li N2 O6 Y -","- C40 H78 B2 Li N2 O6 Y -","- C320 H624 B16 Li8 N16 O48 Y8 -","8","1","","Tatyana V. Mahrova; Georgy K. Fukin; Anton V. Cherkasov; Alexander A. Trifonov; Noureddine Ajellal; Jean-François Carpentier","Yttrium Complexes Supported by Linked Bis(amide) Ligand: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of Cyclic Esters","Inorganic Chemistry","2009","48","","4258","4266","10.1021/ic802427f","","","0.71073","MoKα","","0.0909","0.0474","","","0.1099","0.1219","","","","","","1.013","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302140","30.522","0.009","19.523","0.006","35.204","0.01","90","","90","","90","","20977","11","173.1","","","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C76 H154 Co2 Fe8 N4 O3 S7 Si8 -","- C76 H154 Co2 Fe8 N4 O3 S7 Si8 -","- C608 H1232 Co16 Fe64 N32 O24 S56 Si64 -","8","1","","Yasuhiro Ohki; Ayuro Murata; Motosuke Imada; Kazuyuki Tatsumi","C-H Bond Activation of Decamethylcobaltocene Mediated by a Nitrogenase Fe8S7P-Cluster Model","Inorganic Chemistry","2009","48","","4271","4273","10.1021/ic900284f","","","0.7107","MoKα","","","0.0809","","","","0.1804","","","","","","0.895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302168","12.6897","0.0009","8.6978","0.0006","15.9901","0.0011","90","","90","","90","","1764.9","0.2","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Mn N5 O2 -","- C7 H7 Mn N5 O2 -","- C56 H56 Mn8 N40 O16 -","8","1","","Zi-Lu Chen; Chun-Fang Jiang; Wei-Hong Yan; Fu-Pei Liang; Stuart R. Batten","Three-Dimensional Metal Azide Coordination Polymers with Amino Carboxylate Coligands: Synthesis, Structure, and Magnetic Properties","Inorganic Chemistry","2009","48","","4674","4684","10.1021/ic802026n","","","0.71073","MoKα","","0.0256","0.0242","","","0.0655","0.0668","","","","","","1.043","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302172","10.261","0.004","25.833","0.011","35.119","0.015","90","","90","","90","","9309","7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H68 Ce Fe N2 O4 -","- C48 H68 Ce Fe N2 O4 -","- C384 H544 Ce8 Fe8 N16 O32 -","8","1","","Erin M. Broderick; Paula L. Diaconescu","Cerium(IV) Catalysts for the Ring-Opening Polymerization of Lactide","Inorganic Chemistry","2009","48","","4701","4706","10.1021/ic802047u","","","0.71073","MoKα","","0.0749","0.0489","","","0.0832","0.0898","","","","","","1.137","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302214","8.7634","0.0014","18.041","0.003","21.515","0.004","90","","90","","90","","3401.5","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Cu2{L(OH)}(N3)][ClO4] (3)","","","- C13 H16 Cl Cu2 N5 O7 -","- C13 H15 Cl Cu2 N5 O7 -","- C104 H120 Cl8 Cu16 N40 O56 -","8","1","","Santokh Singh Tandon; Scott D. Bunge; Douglas Motry; José Sánchez Costa; Guillem Aromí; Jan Reedijk; Laurence K. Thompson","Copper Coordination Polymers Based on Single-Chain or Sheet Structures Involving Dinuclear and Tetranuclear Copper(II) Units: Synthesis, Structures, and Magnetostructural Correlations","Inorganic Chemistry","2009","48","","4873","4881","10.1021/ic900240y","","","0.71073","MoKα","","0.0952","0.0508","","","0.1281","0.1544","","","","","","0.927","","","","has coordinates","179060","2020-10-21","18:00:00",""
"4302249","7.2026","0.0003","12.0375","0.0005","23.2951","0.0008","90","","90","","90","","2019.72","0.14","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 Cl2 N2 Ti -","- C8 H8 Cl2 N2 Ti -","- C64 H64 Cl16 N16 Ti8 -","8","1","","Irfan Saeed; Shohei Katao; Kotohiro Nomura","Synthesis and Structural Analysis of Half-Titanocenes Containing η2-Pyrazolato Ligands, and Their Use in Catalysis for Ethylene Polymerization","Inorganic Chemistry","2009","48","","5011","5020","10.1021/ic9004246","","","0.71075","MoKα","","","0.0293","","","","0.0971","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302477","14.691","0.002","27.326","0.003","30.466","0.005","90","","90","","90","","12230","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Fe N4 -","- C33 H46 Fe N4 -","- C528 H736 Fe16 N64 -","16","2","","Amanda C. Bowman; Suzanne C. Bart; Frank W. Heinemann; Karsten Meyer; Paul J. Chirik","Synthesis of Bis(imino)pyridine Iron Amide and Ammonia Compounds from an N-H Transfer Agent","Inorganic Chemistry","2009","48","","5587","5589","10.1021/ic9003017","","","0.71073","MoKα","","0.0735","0.0491","","","0.0981","0.108","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4302502","13.5219","0.0019","13.664","0.002","17.597","0.003","90","","90","","90","","3251.3","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl-tris(trifluoromethyl)phosphonium undecafluorodiantimonate","","- C4 H3 F20 P Sb2 -","- C4 H3 F20 P Sb2 -","- C32 H24 F160 P8 Sb16 -","8","1","","Oleg Shyshkov; Uwe Dieckbreder; Thomas Drews; Alexander Kolomeitsev; Gerd-Volker Röschenthaler; Konrad Seppelt","The Tris(trifluoromethyl)methyl Phosphonium Ion, P(CF3)3CH3+, Preparation and Structure","Inorganic Chemistry","2009","48","","6083","6085","10.1021/ic900414q","","","0.71073","MoKα","","0.058","0.0314","","","0.0608","0.0728","","","","","","1.044","","","","has coordinates","287930","2023-12-01","12:26:56",""
"4302620","15.5239","0.0016","16.0613","0.0017","17.2322","0.0019","90","","90","","90","","4296.6","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","((5-AgCC)-Pm)(3AgCF3CO2)(3H2O)","","","- C12 H3 Ag4 F9 N2 O9 -","- C12 H3 Ag4 F9 N2 O9 -","- C96 H24 Ag32 F72 N16 O72 -","8","1","","Liang Zhao; Thomas C. W. Mak","Assembly of Silver(I) Two- and Three-Dimensional Coordination Networks with Complementary Tridentate Heteroaryl Ethynide Ligands","Inorganic Chemistry","2009","48","","6480","6489","10.1021/ic900346p","","","0.71073","MoKα","","0.0428","0.0319","","","0.0802","0.0863","","","","","","1.056","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302627","7.726","0.003","10.277","0.005","18.324","0.009","90","","90","","90","","1454.9","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H4 O4 Pb -","- C8 H4 O4 Pb -","- C64 H32 O32 Pb8 -","8","1","","Lei Zhang; Zhao-Ji Li; Qi-Pu Lin; Ye-Yan Qin; Jian Zhang; Pei-Xiu Yin; Jian-Kai Cheng; Yuan-Gen Yao","Synthesis, Structure, and Luminescent Properties of Hybrid Inorganic-Organic Framework Materials Formed by Lead Aromatic Carboxylates: Inorganic Connectivity Variation from 0D to 3D","Inorganic Chemistry","2009","48","","6517","6525","10.1021/ic900425r","","","0.71073","MoKα","","0.0491","0.0375","","","0.0924","0.1004","","","","","","1.048","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302637","16.3283","0.0005","14.5755","0.0005","21.4963","0.0006","90","","90","","90","","5116","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 B5 Cl2 W2 -","- C20 H36 B5 Cl2 W2 -","- C160 H288 B40 Cl16 W16 -","8","1","","Satyanarayan Sahoo; K. Hari Krishna Reddy; Rajendra S. Dhayal; Shaikh M. Mobin; V. Ramkumar; E. D. Jemmis; Sundargopal Ghosh","Chlorinated Hypoelectronic Dimetallaborane Clusters: Synthesis, Characterization, and Electronic Structures of (η5-C5Me5W)2B5HnClm (n= 7,m= 2 and n= 8,m= 1)","Inorganic Chemistry","2009","48","","6509","6516","10.1021/ic900467d","","","0.71073","MoKα","","0.0574","0.0324","","","0.0697","0.0799","","","","","","1.043","","","","has coordinates,has disorder","179064","2020-10-21","18:00:00",""
"4302639","10.0077","","11.921","","5.5978","","90","","90","","90","","667.828","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","?","- F32 Tc8 -","- F32 Tc8 -","","","","Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium(IV) Halides Predicted from First-Principles","Inorganic Chemistry","2009","48","","6555","6558","10.1021/ic900476m","","","","","","","","","","","","","","","","","","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302640","12.1484","","14.6823","","6.2895","","90","","90","","90","","1121.84","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","?","- Cl32 Tc8 -","- Cl32 Tc8 -","","","","Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium(IV) Halides Predicted from First-Principles","Inorganic Chemistry","2009","48","","6555","6558","10.1021/ic900476m","","","","","","","","","","","","","","","","","","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302641","12.8204","","15.2492","","6.5327","","90","","90","","90","","1277.15","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","?","- Br32 Tc8 -","- Br32 Tc8 -","","","","Philippe F. Weck; Eunja Kim; Frédéric Poineau; Efrain E. Rodriguez; Alfred P. Sattelberger; Kenneth R. Czerwinski","Technetium(IV) Halides Predicted from First-Principles","Inorganic Chemistry","2009","48","","6555","6558","10.1021/ic900476m","","","","","","","","","","","","","","","","","","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302890","22.2269","0.0008","24.5812","0.0009","25.0002","0.0009","90","","90","","90","","13659.2","0.9","298","2","298","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Tetrabutylammonium tetrathiocyanato nickalate(II)","Tetrabutylammonium tetrathiocyanato nickalate(II)","","- C53 H108 N8 Ni S5 -","- C53 H108 N8 Ni S5 -","- C424 H864 N64 Ni8 S40 -","8","1","","T. V. Brinzari; C. Tian; G. J. Halder; J. L. Musfeldt; M.-H. Whangbo; J. A. Schlueter","Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds","Inorganic Chemistry","2009","48","","7650","7658","10.1021/ic802120n","","","0.71073","MoKα","","0.1445","0.0615","","","0.1527","0.2003","","","","","","1.196","","","","has coordinates","179066","2020-10-21","18:00:00",""
"4302891","22.0901","0.0009","23.9105","0.001","25.0473","0.001","90","","90","","90","","13229.6","0.9","398","2","200","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","Tetrabutylammonium tetrathiocyanato nickalate(II)","Tetrabutylammonium tetrathiocyanato nickalate(II)","","- C53 H108 N8 Ni S5 -","- C53 H108 N8 Ni S5 -","- C424 H864 N64 Ni8 S40 -","8","1","","T. V. Brinzari; C. Tian; G. J. Halder; J. L. Musfeldt; M.-H. Whangbo; J. A. Schlueter","Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds","Inorganic Chemistry","2009","48","","7650","7658","10.1021/ic802120n","","","0.71073","MoKα","","0.1037","0.051","","","0.112","0.136","","","","","","1.313","","","","has coordinates,has disorder","179066","2020-10-21","18:00:00",""
"4302950","21.528","0.0005","22.6636","0.0005","26.1787","0.0006","90","","90","","90","","12772.6","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H50 N2 O3 P2 W -","- C27 H50 N2 O3 P2 W -","- C432 H800 N32 O48 P32 W16 -","16","2","","Patrick Achord; Etsuko Fujita; James T. Muckerman; Brian Scott; George C. Fortman; Manuel Temprado; Xiaochen Cai; Burjor Captain; Derek Isrow; John J. Weir; James Eric McDonough; Carl D. Hoff","Experimental and Computational Studies of Binding of Dinitrogen, Nitriles, Azides, Diazoalkanes, Pyridine, and Pyrazines to M(PR3)2(CO)3 (M = Mo, W; R = Me,iPr).","Inorganic Chemistry","2009","48","","7891","7904","10.1021/ic900764e","","","0.71073","MoKα","","0.0479","0.0269","","","0.0878","0.1134","","","","","","1.002","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302960","20.418","0.01","15.992","0.007","25.061","0.012","90","","90","","90","","8183","7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Ge O2 -","- C22 H30 Ge O2 -","- C352 H480 Ge16 O32 -","16","2","","Rebecca A. Green; Curtis Moore; Arnold L. Rheingold; Charles S. Weinert","Formation and Structures of Germanium(II) Aryloxo/Oxo Clusters","Inorganic Chemistry","2009","48","","7510","7512","10.1021/ic900915q","","","0.71073","MoKα","","0.0617","0.0355","","","0.078","0.0906","","","","","","1.031","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4303043","10.44","0.0001","12.1821","0.0001","40.1946","0.0005","90","","90","","90","","5111.99","0.09","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C256 H192 N64 -","16","2","","Brendan J. Liddle; Daniel Hall; Sergey V. Lindeman; Mark D. Smith; James R. Gardinier","Manipulating Self-Assembly in Silver(I) Complexes of 1,3-Di-N-pyrazolylorganyls","Inorganic Chemistry","2009","48","","8404","8414","10.1021/ic900982m","","","1.54178","CuKα","","0.0378","0.0344","","","0.0869","0.0892","","","","","","1.004","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303057","10.314","0.002","15.819","0.003","30.975","0.006","90","","90","","90","","5053.8","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl2 Cu O11 S3 -","- C20 H26 Cl2 Cu O11 S3 -","- C160 H208 Cl16 Cu8 O88 S24 -","8","1","","Minhye Jo; Joobeom Seo; Moo Lyong Seo; Kyu Seong Choi; Seong Keuck Cha; Leonard F. Lindoy; Shim Sung Lee","Donor-Set-Induced Coordination Sphere and Oxidation-State Switching in the Copper Complexes of O2S2X (X = S, O and NH) Macrocycles","Inorganic Chemistry","2009","48","","8186","8191","10.1021/ic901009r","","","0.85","synchrotron","","0.0608","0.0594","","","0.1664","0.1674","","","","","","1.108","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303087","24.7376","0.0014","19.1647","0.0011","27.0246","0.0016","90","","90","","90","","12812.1","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(OTf)Ag(CNArDipp2)2","","","- C63 H74 Ag F3 N2 O3 S -","- C63 H74 Ag F3 N2 O3 S -","- C504 H592 Ag8 F24 N16 O24 S8 -","8","1","","Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides","Inorganic Chemistry","2009","48","","8362","8375","10.1021/ic9010828","","","0.71073","MoKα","","0.0873","0.0686","","","0.1829","0.195","","","","","","1.062","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4303101","11.4824","0.0001","17.2116","0.0003","29.8556","0.0006","90","","90","","90","","5900.38","0.17","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H70 N6 O14 U2 -","- C58 H70 N6 O14 U2 -","- C232 H280 N24 O56 U8 -","4","0.5","","Massimo Cametti; Laura Ilander; Kari Rissanen","Recognition of Li+ by a Salophen-UO2 Homodimeric Complex","Inorganic Chemistry","2009","48","","8632","8637","10.1021/ic901136b","","x-ray","0.71073","MoKα","","0.1505","0.0732","","","0.1125","0.135","","","","","","1.027","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303132","17.9807","0.0002","9.3344","0.0001","33.406","0.0004","90","","90","","90","","5606.83","0.11","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H30 F6 N12 O7 Pt S2 -","- C12 H30 F6 N12 O7 Pt S2 -","- C96 H240 F48 N96 O56 Pt8 S16 -","8","1","","Alexander G. Tskhovrebov; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin","Different Routes for Amination of Platinum(II)-Bound Cyanoguanidine","Inorganic Chemistry","2009","48","","8678","8688","10.1021/ic900263e","","","0.71073","MoKα","","0.062","0.0397","","","0.0848","0.0958","","","","","","1.026","","","","has coordinates,has disorder","179069","2020-10-21","18:00:00",""
"4303140","10.8513","0.0003","12.9419","0.0004","15.6976","0.0005","90","","90","","90","","2204.52","0.12","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Cu N2 O4 Re -","- C10 H8 Cu N2 O4 Re -","- C80 H64 Cu8 N16 O32 Re8 -","8","1","","Haisheng Lin; Paul A. Maggard","Ligand-Mediated Interconversion of Multiply-Interpenetrating Frameworks in CuI/ReVII-Oxide Hybrids","Inorganic Chemistry","2009","48","","8940","8946","10.1021/ic900735n","","","0.71073","MolybdenumKα","","0.067","0.058","","0.067","","0.067","","","","","","1.88","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4303155","19.8088","0.0002","19.3467","0.0002","20.2052","0.0002","90","","90","","90","","7743.34","0.14","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C76 H68 Br4 Cu4 P4 S4 Sn -","- C76 H68 Br4 Cu4 P4 S4 Sn -","- C304 H272 Br16 Cu16 P16 S16 Sn4 -","4","0.5","","Yan-Gong Han; Chao Xu; Taike Duan; Fang-Hui Wu; Qian-Feng Zhang; Wa-Hung Leung","Heterometallic Aggregates of Copper(I) with Metalloligand Sn(edt)2 (edt = ethane-1,2-dithiolate): Syntheses and Structures of [Sn(edt)2Cl(μ-I)(μ3-I)(CuPPh3)3], [Sn(edt)2(μ-Br)2(μ3-Br)2(CuPPh3)4], and [{Sn(edt)2}3(μ-OH)3Cu5(PPh3)8][PF6]2","Inorganic Chemistry","2009","48","","8796","8802","10.1021/ic9009515","","","0.71073","MoKα","","0.0583","0.0369","","","0.0622","0.0768","","","","","","0.987","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303161","9.5559","0.0017","8.027","0.0011","14.798","0.003","90","","90","","90","","1135.1","0.3","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N6 -","- C10 H12 N6 -","- C40 H48 N24 -","4","0.5","","Yukinari Sunatsuki; Ryohei Kawamoto; Kunihiro Fujita; Hisashi Maruyama; Takayoshi Suzuki; Hiroyuki Ishida; Masaaki Kojima; Seiichiro Iijima; Naohide Matsumoto","Structures and Spin States of Bis(tridentate)-Type Mononuclear and Triple Helicate Dinuclear Iron(II) Complexes of Imidazole-4-carbaldehyde azine","Inorganic Chemistry","2009","48","","8784","8795","10.1021/ic900977m","","","0.71075","MoKα","","","0.0721","","","","0.2623","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303183","11.432","0.004","19.935","0.007","30.932","0.01","90","","90","","90","","7049","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H59 Mn N4 Na -","- C34 H59 Mn N4 Na -","- C272 H472 Mn8 N32 Na8 -","8","1","","Victoria L. Blair; William Clegg; Robert E. Mulvey; Luca Russo","Alkali-Metal-Mediated Manganation(II) of Naphthalenes: Constructing Metalla-Anthracene and Metalla-Phenanthrene Structures","Inorganic Chemistry","2009","48","","8863","8870","10.1021/ic901068w","","","0.71073","MoKα","","0.1196","0.0786","","","0.199","0.238","","","","","","1.027","","","","has coordinates,has disorder","179069","2020-10-21","18:00:00",""
"4303249","9.7286","0.0003","17.2483","0.0005","36.432","0.0011","90","","90","","90","","6113.4","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H31 Cl2 Hg N5 O8 S -","- C28 H31 Cl2 Hg N5 O8 S -","- C224 H248 Cl16 Hg8 N40 O64 S8 -","8","1","","Marta Mameli; M. Carla Aragoni; Massimiliano Arca; Marta Atzori; Andrea Bencini; Carla Bazzicalupi; Alexander J. Blake; Claudia Caltagirone; Francesco A. Devillanova; Alessandra Garau; Michael B. Hursthouse; Francesco Isaia; Vito Lippolis; Barbara Valtancoli","Synthesis and Coordination Properties of Quinoline Pendant Arm Derivatives of [9]aneN3 and [9]aneN2S as Fluorescent Zinc Sensors","Inorganic Chemistry","2009","48","","9236","9249","10.1021/ic901012w","","","0.71073","MoKα","","0.0653","0.0512","","","0.101","0.11","","","","","","0.999","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303287","13.2839","0.0012","13.4258","0.0012","19.9942","0.0018","90","","90","","90","","3565.9","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H26 B18 Ni -","- C6 H26 B18 Ni -","- C48 H208 B144 Ni8 -","8","1","","Robert D. Kennedy; Carolyn B. Knobler; M. Frederick Hawthorne","Toward Unidirectional Rotary Motion in Nickelacarboranes: Characterization of Diastereomeric Nickel Bis(Dicarbollide) Complexes Derived from the [Nido-7-CH3-7,8-C2B9H11]- Anion","Inorganic Chemistry","2009","48","","9377","9384","10.1021/ic901175e","","","0.71073","MoKα","","0.0288","0.0251","","","0.0719","0.0742","","","","","","1.092","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303363","18.7678","0.0006","16.9665","0.0006","21.6485","0.0008","90","","90","","90","","6893.4","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","A","","","- C40 H30 Cl N O2 P2 Pt -","- C40 H30 Cl N O2 P2 Pt -","- C320 H240 Cl8 N8 O16 P16 Pt8 -","8","1","","Jian Hu; Huan Xu; Minh-Hai Nguyen; John H. K. Yip","Photooxidation of a Platinum-Anthracene Pincer Complex: Formation and Structures of PtII-Anthrone and -Ketal Complexes","Inorganic Chemistry","2009","48","","9684","9692","10.1021/ic900479w","","","0.71073","MoKα","","0.0489","0.0404","","","0.0934","0.0961","","","","","","1.236","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303381","18.52","0.002","20.284","0.003","25.347","0.003","90","","90","","90","","9522","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H31 K N2 Si -","- C22 H31 K N2 Si -","- C352 H496 K16 N32 Si16 -","16","2","","Shuang Yao; Hoi-Shan Chan; Chi-Keung Lam; Hung Kay Lee","Synthesis, Structure, and Reaction Chemistry of Samarium(II), Europium(II), and Ytterbium(II) Complexes of the Unsymmetrical Benzamidinate Ligand [PhC(NSiMe3)(NC6H3Pri2-2,6)]-","Inorganic Chemistry","2009","48","","9936","9946","10.1021/ic901327m","","","0.71073","MoKα","","0.2676","0.0967","","","0.2103","0.3681","","","","","","1.078","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4303428","17.1871","0.0008","20.1089","0.001","23.865","0.001","90","","90","","90","","8248.1","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H10 B F15 P S2 -","- C42 H10 B F15 P S2 -","- C336 H80 B8 F120 P8 S16 -","8","1","","Meghan A. Dureen; Gregory C. Welch; Thomas M. Gilbert; Douglas W. Stephan","Heterolytic Cleavage of Disulfides by Frustrated Lewis Pairs","Inorganic Chemistry","2009","48","","9910","9917","10.1021/ic901590s","","","0.71073","MoKα","","0.1056","0.068","","","0.1767","0.1971","","","","","","1.105","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4303452","11.834","0.0002","24.1107","0.0004","16.0267","0.0003","90","","90","","90","","4572.83","0.14","294","2","294","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","spiro(Butane-1,4-diamino)-[N-(1-ferrocenyl-methyl)]- 4,4,6,6-tetrachlorocyclotriphosphazatriene","","- C15 H20 Cl4 Fe N5 P3 -","- C15 H20 Cl4 Fe N5 P3 -","- C120 H160 Cl32 Fe8 N40 P24 -","8","1","","Nuran Asmafiliz; Zeynel Kiliç; Asli Öztürk; Tuncer Hökelek; L. Yasemin Koç; Leyla Açik; Özgül Kisa; Ali Albay; Zafer Üstündağ; Ali Osman Solak","Phosphorus-Nitrogen Compounds. 18. Syntheses, Stereogenic Properties, Structural and Electrochemical Investigations, Biological Activities, and DNA Interactions of New Spirocyclic Mono- and Bisferrocenylphosphazene Derivatives","Inorganic Chemistry","2009","48","","10102","10116","10.1021/ic901039k","","","0.71073","MoKα","","0.0975","0.0438","","","0.1094","0.1286","","","","","","1.019","","","","has coordinates","176343","2020-10-21","18:00:00",""
"4303530","8.8582","0.0013","8.4826","0.0009","13.0291","0.0015","90","","90","","90","","979","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H N3 Pb S -","- C2 H N3 Pb S -","- C16 H8 N24 Pb8 S8 -","8","1","","Jian-Kai Cheng; Jian Zhang; Pei-Xiu Yin; Qi-Pu Lin; Zhao-Ji Li; Yuan-Gen Yao","Temperature-Controlled Syntheses of Substituted 1,2,4-Triazolelead(II) Complexes: Active Lone Pair and N-H...X (X = Cl, Br, I) Hydrogen Bonds","Inorganic Chemistry","2009","48","","9992","9994","10.1021/ic901653y","","","0.71073","MoKα","","","0.0465","","","0.1221","0.1272","","","","","","1.064","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303656","14.1762","0.0011","8.93","0.0007","19.5347","0.0015","90","","90","","90","","2473","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Cesium Uranyl Phosphate","","","- Cs2 O12 P2 U2 -","- Cs2 O12 P2 U2 -","- Cs16 O96 P16 U16 -","8","1","","Jie Ling; Shijun Wu; Fanrong Chen; Antonio Simonetti; John T. Shafer; Thomas E. Albrecht-Schmitt","Does Iodate Incorporate into Layered Uranyl Phosphates Under Hydrothermal Conditions?","Inorganic Chemistry","2009","48","","10995","11001","10.1021/ic9011247","","","0.71073","MoKα","","0.0669","0.0435","","","0.1079","0.1225","","","","","","1.03","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303741","11.3441","0.0023","13.2","0.0026","15.3016","0.0031","90","","90","","90","","2291.3","0.8","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Ag N2 O4 Re -","- C10 H8 Ag N2 O4 Re -","- C80 H64 Ag8 N16 O32 Re8 -","8","1","","Haisheng Lin; Xiaomeng Wu; Paul A. Maggard","Ligand-Based Modification of the Structures and Optical Properties of New Silver(I)-Rhenate(VII) Oxide/Organic Hybrid Solids","Inorganic Chemistry","2009","48","","11265","11276","10.1021/ic901749r","","","0.7107","MoKα","","0.0741","0.0457","","","0.0972","0.1069","","","","","","0.84","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303826","13.0576","0.0012","16.9655","0.0011","20.0495","0.0018","90","","90","","90","","4441.5","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Br Fe N3 -","- C23 H26 Br Fe N3 -","- C184 H208 Br8 Fe8 N24 -","8","1","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky","Aryl-Containing Chelates and Amine Debenzylation to Afford 1,3-Di-2-pyridyl-2-azaallyl (smif): Structures of {κ-C,N,Npy2-(2-pyridylmethyl)2N(CH2(4-tBu-phenyl-2-yl))}FeBr and (smif)CrN(TMS)2","Inorganic Chemistry","2009","48","","11576","11585","10.1021/ic901329z","","","0.71073","MoKα","","0.1101","0.0501","","","0.0906","0.11","","","","","","1","","","","has coordinates,has disorder","179076","2020-10-21","18:00:00",""
"4303834","17.2249","0.0011","16.8147","0.0011","21.8935","0.0014","90","","90","","90","","6341","0.7","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67.76 H97.28 Cr3 I0.12 N3.88 -","- C67.76 H97.28 Cr3 I0.12 N3.88 -","- C271.04 H389.12 Cr12 I0.48 N15.52 -","4","0.5","","Chengbao Ni; Gary J. Long; Fernande Grandjean; Philip P. Power","Synthesis, Characterization, and Magnetism of Divalent Aryl Transition-Metal Complexes of the Simplest Dialkylamide, NMe2: Rare T-Shaped Coordination at Chromium","Inorganic Chemistry","2009","48","","11594","11600","10.1021/ic901462t","","","0.71073","MoKα","","0.0769","0.04","","","0.0987","0.1183","","","","","","1.088","","","","has coordinates,has disorder","179076","2020-10-21","18:00:00",""
"4303840","19.4769","0.0011","21.8906","0.0013","22.7715","0.0015","90","","90","","90","","9708.9","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H59 I2 La N8 O3 -","- C51 H57 I2 La N8 O3 -","- C408 H456 I16 La8 N64 O24 -","8","1","","Hitomi Misaki; Hiroyuki Miyake; Satoshi Shinoda; Hiroshi Tsukube","Asymmetric Twisting and Chirality Probing Properties of Quadruple-Stranded Helicates: Coordination Versatility and Chirality Response of Na+, Ca2+, and La3+ Complexes with Octadentate Cyclen Ligand","Inorganic Chemistry","2009","48","","11921","11928","10.1021/ic901496s","","","0.7107","MoKα","","0.0791","0.0722","","","0.1195","0.1215","","","","","","1.403","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303880","21.3743","0.0003","11.3697","0.0002","21.3828","0.0003","90","","90","","90","","5196.43","0.14","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F3 Fe N4 O3 S5 -","- C22 H17 F3 Fe N4 O3 S5 -","- C176 H136 F24 Fe8 N32 O24 S40 -","8","1","","Partha Halder; Abhishek Dey; Tapan Kanti Paine","Molecular and Electronic Structure of a Nonheme Iron(II) Model Complex Containing an Iron-Carbon Bond","Inorganic Chemistry","2009","48","","11501","11503","10.1021/ic901841w","","","0.71073","MoKα","","0.0527","0.0336","","","0.0757","0.0832","","","","","","1.03","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303882","15.556","0.002","20.523","0.003","27.394","0.003","90","","90","","90","","8746","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H43 O2 P Ru S4 -","- C50 H43 O2 P Ru S4 -","- C400 H344 O16 P8 Ru8 S32 -","8","1","","Harry Adams; Anna M. Coffey; Michael J. Morris; Sarah A. Morris","Efficient Transfer of Either One or Two Dithiolene Ligands from Nickel to Ruthenium: Synthesis and Crystal Structures of [Ru(SCR=CPhS)2(PPh3)] and [RuCl2(SCR=CPhS)(PPh3)2] (R = Ph, H)","Inorganic Chemistry","2009","48","","11945","11953","10.1021/ic9018458","","","0.71073","MoKα","","0.1411","0.0592","","","0.1281","0.1742","","","","","","1.024","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303899","11.33","0.001","17.826","0.002","31.961","0.003","90","","90","","90","","6455.1","1.1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H42 Cl2 N3 O4 P Pd2 -","- C27 H42 Cl2 N3 O4 P Pd2 -","- C216